#DEFINITION Reference Metabolome for Ananas comosus #IDENTTFIER RefMeta-Ananas comosus.R1 #FORMAT msr #VERSION 1.0/R1 #KEYWORDS RefMeta #ORGANISM Ananas comosus #CREATION 31-MAY-2024 #PUBLICATION CropMetabolome: a comprehensive metabolome database for major crops cross eight categories #JOURNAL The Plant Journal #AUTHORS Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X. #COMMENT Reference metabolome for Ananas comosus was generated from multi-tissue LC-MS/MS data with redundance removed BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 756.8896 Annotation Unknow Peak:m/z Relative Intensity 213.4034424 0.35 240.2021790 0.27 245.5985718 0.15 248.3788605 0.05 259.9048767 0.06 263.0266724 0.71 263.9685669 0.67 265.0808716 0.07 268.3294373 0.20 277.3682861 0.56 288.3247070 0.71 289.3253174 0.07 291.4908752 0.58 314.3211060 0.17 317.9209290 0.09 327.6148071 0.12 330.1232910 0.10 336.3773804 0.28 337.2937012 0.10 353.3328247 0.08 358.5876465 0.06 362.5019531 0.09 373.3100586 0.68 374.1455688 0.28 374.8768311 0.48 376.5199585 0.52 388.2735596 0.30 389.3051758 0.10 392.3186035 0.89 397.3627930 0.23 400.0518799 0.70 414.6594238 0.37 416.3444214 0.38 427.3600464 0.22 430.7590942 0.28 432.9105225 0.37 441.5374146 0.33 449.1943359 0.48 451.1512451 1.46 452.2999878 0.49 458.3271484 0.10 462.0932007 0.24 464.2779541 0.35 465.7739868 0.12 480.6588745 0.25 482.4638062 0.24 486.4082031 0.42 490.9652100 1.39 491.5921631 1.99 499.8064575 0.45 501.2722168 0.58 502.0732422 0.07 510.4797974 0.11 511.1721191 0.05 512.3144531 0.13 523.9014282 0.17 527.0089111 0.27 529.6245728 0.25 530.3124390 0.26 535.2043457 1.91 536.0738525 0.33 538.2606812 0.75 541.4072876 0.62 543.5527954 0.34 544.1782227 0.43 548.2245483 0.25 549.3978882 0.23 552.0759277 0.11 553.7222900 0.31 554.7263794 0.33 557.1287842 0.36 559.5013428 0.22 566.1403809 1.46 567.1759644 0.09 568.0107422 0.58 570.4792480 0.39 571.8045654 0.28 577.4190063 0.84 580.3074341 0.14 587.3709106 0.18 588.4751587 0.43 589.3939209 0.12 590.3248901 0.06 591.1121216 0.31 594.3795776 0.51 595.2306519 0.18 599.3557129 0.19 600.7267456 0.21 603.4892578 0.26 604.3505859 0.19 605.2681274 0.62 605.9259033 0.50 606.8565063 0.08 607.9406128 0.46 611.3822632 1.48 612.3717651 0.72 613.6203613 2.67 614.2817383 0.22 614.9569702 0.64 616.4899902 0.91 617.3158569 0.42 618.5774536 0.16 620.1342163 0.20 622.5093384 0.11 625.6387939 0.56 627.1116333 0.20 629.6448364 0.15 634.2971802 0.30 635.7329712 0.31 636.8694458 0.24 637.9704590 1.61 639.0643921 0.10 642.4547729 0.28 645.1027832 0.35 646.6421509 0.12 647.2927856 0.18 648.2094727 0.75 649.3957520 2.43 650.3803101 0.58 651.3065186 0.22 653.4036255 0.50 654.4038696 0.78 655.3088989 0.49 656.1211548 4.72 656.7747192 0.49 658.1986084 0.83 659.1567993 0.68 661.2485962 3.62 662.7822876 3.31 663.5102539 2.59 665.5160522 2.74 668.3952637 1.29 670.0316162 37.22 670.9401245 0.80 673.2942505 0.60 676.3552246 0.53 678.4893188 1.17 679.4928589 0.50 681.5010376 0.43 682.6424561 1.68 684.9047241 1.16 685.5850830 0.17 687.3390503 0.08 689.5334473 2.55 690.4138794 1.40 691.3406372 0.57 694.2078247 0.26 695.5040894 1.49 696.2737427 0.13 697.2585449 0.84 698.1701050 0.87 698.9788208 1.34 699.6259766 0.33 702.2240601 0.33 705.4596558 5.82 706.1723022 1.36 707.0326538 0.44 708.7643433 1.52 710.3235474 4.51 710.9821167 6.73 711.6160278 0.72 712.3466797 0.15 713.4060669 2.78 715.9896240 1.63 716.8609009 0.73 719.5966797 100.00 720.6052246 3.78 721.5606079 0.99 722.6652832 1.22 723.3472290 0.15 724.6831665 0.37 725.5916138 0.14 726.4149170 0.10 727.6800537 0.98 729.7830200 1.74 730.8761597 1.15 731.6524658 0.44 733.4879761 1.68 734.1625977 0.32 736.1372681 0.05 736.7539673 0.71 739.3526001 2.05 740.4715576 0.54 744.7314453 1.43 747.2788086 1.79 748.6878052 2.28 752.4572144 0.10 762.6659546 0.48 763.4895020 0.08 771.3752441 0.30 773.3209839 0.99 777.4020996 0.18 778.4353638 1.75 783.0081787 0.37 784.5827026 0.89 787.2033081 0.53 789.2301636 0.71 795.5098267 0.15 797.7994995 0.14 800.0471802 1.17 803.2312622 0.15 805.0278931 0.69 805.8123779 0.41 807.0173340 0.96 808.2072754 1.50 809.4618530 0.16 811.5440063 0.10 817.3692017 0.94 823.1528320 0.69 826.0237427 0.53 827.4807739 0.57 832.0764771 0.33 832.7488403 1.11 834.4155273 0.35 838.1436157 0.19 840.2021484 0.62 841.3726196 0.70 843.1550903 0.15 846.8701782 0.16 848.4803467 0.52 850.9768066 0.21 851.7354126 0.23 853.0412598 1.61 855.6549683 0.50 859.3753052 0.23 861.2104492 1.74 862.1928101 0.25 862.8419800 0.82 866.3938599 0.88 868.5781860 0.19 871.0869751 1.49 873.5821533 0.10 875.5256958 0.79 879.0409546 0.07 880.5114136 0.11 886.7407227 0.37 888.7183228 0.88 889.5719604 0.89 890.2648926 0.64 891.4279785 0.20 892.1325684 0.58 893.0410767 0.99 902.8816528 0.07 903.7799683 0.23 905.6833496 1.16 908.2257690 0.34 912.5877075 0.23 913.4683228 0.06 914.3022461 0.10 916.1022339 0.65 918.9166870 0.83 919.6607056 0.19 920.7761230 0.21 922.6437378 0.85 928.5468750 0.74 935.5729980 0.90 936.5488281 0.86 937.4901733 0.79 939.2504272 0.25 942.2653198 0.36 947.4963989 4.85 948.5187378 2.44 949.9834595 0.92 951.7180786 0.79 952.5899048 0.46 953.8059692 0.74 955.8430176 11.45 959.2053833 0.67 960.4003906 1.03 961.9550781 0.26 963.5474243 1.09 967.0253296 0.58 967.8508911 0.27 968.4891968 0.67 971.3799438 4.15 972.2441406 0.27 975.8024292 0.31 978.7509766 0.15 986.8683472 0.55 989.3112793 0.35 989.9265137 0.37 990.7515259 0.13 993.8444214 0.44 996.5684204 0.20 1002.5327760 0.64 1003.3679810 0.32 1006.5241090 0.14 1009.9599000 0.38 1011.3052370 0.33 1013.0673830 1.03 1017.4741210 0.49 1021.4689940 0.17 1027.2102050 0.45 1032.3208010 0.56 1034.1081540 0.51 1035.4793700 0.56 1036.6047360 0.38 1039.2617190 0.70 1042.8701170 0.59 1044.6306150 0.15 1046.9165040 0.30 1047.6392820 0.11 1050.4550780 0.74 1051.8912350 0.56 1053.6236570 0.33 1056.4707030 0.45 1060.7309570 0.34 1062.4302980 4.06 1063.5512700 2.48 1064.8074950 1.33 1065.6541750 0.35 1068.2219240 0.30 1071.8658450 0.12 1078.0078120 1.19 1080.5734860 0.54 1082.7646480 0.56 1083.6894530 0.37 1110.5649410 1.28 1120.3953860 0.73 1123.6240230 0.18 1135.7226560 0.94 1136.7193600 0.40 1142.7189940 0.19 1148.5271000 0.07 1151.1870120 0.73 1161.5983890 0.32 1162.2001950 0.10 1175.8027340 0.27 1181.7104490 0.32 1190.8659670 0.09 1191.9604490 0.43 1196.0306400 0.30 1205.7847900 0.32 1207.8161620 0.28 1209.2453610 0.78 1210.0805660 0.25 1211.3891600 0.46 1216.4638670 0.43 1225.7357180 4.77 1226.7257080 1.50 1236.8402100 0.40 1248.0250240 0.43 1248.7747800 0.61 1249.7338870 1.94 1250.8223880 0.07 1261.7283940 0.49 1264.0335690 0.21 1265.8771970 0.14 1271.5426030 0.23 1275.4053960 0.29 1283.4006350 0.44 1291.6051030 0.29 1292.8482670 0.39 1294.5267330 0.46 1300.0028080 0.23 1306.1983640 0.61 1307.9157710 0.12 1309.9903560 0.34 1310.6417240 0.25 1325.3917240 0.62 1338.5371090 5.73 1339.5865480 4.17 1353.1231690 0.12 1397.2012940 0.18 1414.5222170 0.44 1423.2290040 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1333.605 Annotation Unknow Peak:m/z Relative Intensity 425.3220825 0.07 467.3639832 0.36 468.3569336 0.23 486.7036133 0.06 487.6774597 0.05 488.6846619 0.04 500.1598816 0.03 515.7192383 0.06 540.8150635 0.12 583.5564575 0.08 601.4607544 0.12 602.5069580 0.22 619.4846191 0.34 620.6007080 0.44 626.7436523 0.03 646.1116943 0.01 662.7971802 0.13 673.7724609 0.08 682.4790039 0.02 683.5579834 0.08 684.7542725 0.12 699.6303711 0.02 715.6771240 0.02 719.4296875 0.04 720.2843018 0.02 727.7017822 0.39 728.6565552 0.30 745.5421753 0.54 746.5207520 1.38 757.6528320 0.03 763.6138916 4.41 764.5063477 6.73 769.6176758 0.05 770.4842529 0.07 781.5950928 2.63 782.5529785 4.20 783.5100708 0.04 801.3256836 0.02 805.5084839 5.58 806.5073242 9.92 807.6627197 0.09 823.4755859 21.38 824.5633545 40.59 825.6480103 0.48 845.2780151 0.03 847.7283936 0.27 848.6605225 0.14 849.7187500 0.03 865.5637817 61.34 866.4550171 100.00 867.4781494 1.22 906.7989502 0.19 907.6723633 0.19 908.4652100 0.48 948.6706543 0.05 950.4375000 0.13 974.7843018 0.05 1010.2012940 0.09 1070.3088380 0.17 1112.4722900 0.10 1126.7177730 0.17 1130.3378910 0.13 1148.3752440 0.06 1189.5709230 0.37 1190.4482420 0.22 1214.5877690 0.08 1231.3037110 0.14 1232.0432130 0.02 1232.7202150 0.05 1238.5480960 0.05 1311.5712890 0.01 1314.5003660 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 659.3408 Annotation (-)-Reveromycin B Peak:m/z Relative Intensity 199.8714142 0.13 200.7391052 0.04 215.1590118 0.11 219.2584686 0.25 225.1297150 0.02 237.1227417 0.02 238.2844391 0.10 242.0679016 0.07 253.1145630 0.98 259.1211853 0.02 260.9380798 0.07 266.2717896 0.03 273.2563477 0.02 279.4146729 0.03 283.3564453 0.05 287.2056274 0.09 296.2967529 0.03 301.1657715 0.06 305.2358398 0.08 309.3133545 0.01 318.4877930 0.11 321.1491089 0.08 327.4674072 0.08 351.0413208 0.04 352.4078369 0.02 358.9897461 0.05 362.1513062 0.02 368.0133667 0.04 369.1838989 0.04 373.5599365 0.04 377.3300171 0.02 381.1474609 0.05 411.4389648 0.07 413.2905884 0.06 415.4662476 0.05 417.2959595 0.13 422.4287720 0.02 431.3960571 0.62 433.1492310 0.08 439.1983643 0.08 443.3258057 0.19 448.9895020 0.12 455.3510132 0.07 467.3323364 0.40 470.5527344 0.11 478.9438477 0.27 482.9271851 0.09 485.4434204 0.08 493.5560913 0.03 495.0850830 0.04 497.1578369 1.46 500.4350586 0.37 510.7092896 0.03 520.5376587 0.14 521.5198364 0.10 523.3917847 0.10 528.3084717 0.63 530.1909180 0.17 539.7926636 0.04 541.4733887 0.30 549.3771362 0.06 552.1649170 0.15 554.4577026 0.11 558.4151611 5.21 559.7420044 0.10 563.3221436 0.08 567.4241333 0.47 572.5626221 0.15 573.5142212 0.14 575.5917969 0.14 579.3685303 0.02 580.6200562 0.07 585.4743042 15.44 591.5767212 0.02 593.4186401 0.15 595.2189331 0.26 597.4675293 3.04 599.2927246 0.47 600.0812378 0.03 601.2255249 0.06 611.4319458 0.09 613.3342896 0.37 615.4215698 100.00 616.3877563 0.10 617.4257202 0.05 624.3978271 0.09 625.4343872 0.09 629.3485718 5.11 630.0212402 0.08 636.2749023 0.02 637.9929199 0.04 639.2390747 0.07 640.9649048 0.66 641.5652466 1.44 642.5929565 0.15 643.9802856 0.03 649.5890503 0.38 650.2273560 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 955.4877 Annotation Tuberoside A (Ullucus tuberosus) Peak:m/z Relative Intensity 273.5274658 0.06 287.3932800 0.19 292.8695068 0.15 305.2256470 0.28 305.8262329 0.06 308.8035889 0.12 323.1292114 5.79 324.3201294 0.21 343.3912048 0.11 345.3342896 0.05 347.0198364 0.19 365.2952271 0.63 389.1322632 0.16 392.2344971 0.09 393.3286438 0.07 395.0515747 0.60 395.9495850 0.08 399.7565918 0.11 404.6748047 0.31 406.2481079 0.37 407.1914062 0.70 408.7345581 0.22 411.4874878 0.09 413.6652832 0.09 414.4461060 0.16 415.5111694 2.53 416.3886108 0.29 423.4494019 0.57 424.2479858 0.19 425.3779297 2.33 426.4184570 0.55 441.4874268 0.24 442.3707275 0.08 443.4279785 2.83 444.3479614 0.98 445.0089111 0.03 449.3745728 0.26 451.6058350 0.11 467.2619019 5.19 468.2087402 1.13 485.0142822 0.49 485.7965698 0.19 487.4410400 100.00 488.5086060 32.46 525.2150269 0.05 529.6267700 0.66 541.7590332 0.34 560.3874512 0.31 569.4149170 0.15 570.3843384 0.12 571.5406494 0.36 588.9609985 0.20 609.6954956 0.43 631.1516724 0.07 649.4439087 0.20 691.3898315 0.14 692.3190308 0.21 750.4421997 0.18 776.3845215 0.14 793.0700684 0.06 793.9005127 0.30 811.2240601 16.67 812.3284302 6.58 813.0194702 0.03 853.2374878 3.13 854.3757935 1.07 893.2306519 1.02 894.3972778 0.50 895.2286987 0.16 911.2835083 0.54 920.8099976 0.18 937.3996582 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1349.5986 Annotation Sofalcone Peak:m/z Relative Intensity 467.0916443 0.21 675.2868652 0.01 761.4627686 0.03 783.1486816 0.02 795.4810791 0.14 819.6256104 0.08 821.5349121 0.01 837.4980469 12.32 838.1109619 0.08 839.6144409 0.08 863.3693848 0.07 879.5203857 0.17 880.4219971 0.02 881.3746338 0.83 919.3057861 0.08 921.2028809 0.02 981.6582031 0.04 1025.5454100 0.06 1051.4096680 0.04 1080.7340090 0.03 1086.7325440 0.01 1109.8264160 0.01 1161.3529050 0.42 1203.0989990 0.12 1205.3939210 0.47 1220.7541500 0.02 1262.9575200 0.05 1263.6237790 1.33 1289.6192630 0.02 1305.4687500 100.00 1306.2553710 0.07 1317.7412110 0.07 1323.3041990 0.02 1324.0483400 0.01 1331.6876220 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 521.1491 Annotation Mometasone furoate Peak:m/z Relative Intensity 151.0062714 0.35 162.8623352 1.49 175.0914459 0.20 176.9702301 1.01 178.0834656 0.11 187.1406708 0.26 188.5425110 0.44 195.1571045 0.39 205.2885437 0.22 208.9769135 0.26 212.9515076 17.49 219.0904388 0.33 221.3506927 0.39 222.0416412 0.29 225.1080780 0.28 230.8626709 8.45 239.3519135 0.17 248.9128418 5.22 252.9978027 3.28 256.2905273 0.14 258.2651367 0.08 261.0161133 0.06 266.2078247 0.14 267.3153687 0.17 273.1860352 0.65 283.1809692 0.09 285.2901611 0.60 287.6494141 0.31 291.2738037 0.61 292.3582764 0.15 295.0043335 0.24 296.2497559 0.32 308.9179077 0.73 312.2682495 0.12 323.3051758 0.07 327.1192017 0.42 330.9462280 0.30 333.0645142 0.12 337.7023315 0.43 338.8612671 1.04 339.5079346 0.71 341.1519165 7.54 348.1823730 0.26 353.2249146 0.68 356.8271484 6.67 357.4486694 1.01 359.2997437 0.11 371.1939697 0.84 373.3632202 0.44 374.9290771 18.65 377.1000366 1.34 385.6268311 0.36 390.0381470 0.23 393.0675049 12.03 397.3592529 0.76 398.4069824 0.12 399.2407837 0.18 401.2303467 0.52 412.6984863 0.06 415.2871094 1.74 416.0621948 0.09 417.7468872 0.61 418.5280762 0.07 423.1329346 0.39 424.3054810 0.12 427.3494873 0.38 430.9788818 0.13 434.9168701 0.37 436.6376953 0.62 443.1027832 1.14 444.0568237 0.58 446.5079346 0.08 451.3270874 1.72 459.4308472 0.56 460.4182129 0.18 463.0168457 0.16 464.3018188 0.24 469.2902832 0.17 473.1076050 0.22 476.3217773 0.42 477.4912109 0.12 483.2971191 0.30 485.0382080 0.62 485.7719116 0.13 486.4749146 0.53 489.7317505 0.17 491.0349731 0.35 495.6846313 1.13 500.2821045 0.41 501.3964233 0.57 503.2584229 100.00 504.2860718 11.08 504.9138794 1.07 511.8449707 1.33 512.5267944 0.36 530.6303711 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 353.0725 Annotation Unknow Peak:m/z Relative Intensity 110.8918304 60.95 128.9093475 0.10 155.0222168 0.21 172.8648987 100.00 179.0073090 0.07 191.0257568 0.58 217.0055542 0.11 293.2745972 0.05 307.1871338 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 306.0763 Annotation Glutathione Peak:m/z Relative Intensity 98.9473419 0.23 99.8380508 0.11 120.0513306 0.10 124.9173584 0.13 125.8882828 0.12 126.8948975 0.15 127.9456787 7.85 129.2293549 0.06 130.0887756 0.05 134.9534302 0.04 143.0185089 8.47 144.0459595 0.27 145.0509033 0.25 146.0581512 0.95 153.1160583 0.26 156.1769257 0.03 156.9667358 0.13 158.9335480 0.11 160.0652466 10.29 161.9611969 0.19 165.0860748 0.06 167.0232239 1.05 168.8943481 0.06 170.4871521 0.34 171.1490326 0.80 176.9997406 10.34 179.0766602 7.93 180.9435425 0.11 185.0520325 1.44 193.0680542 0.12 197.1208954 1.76 210.1069336 4.58 213.0243835 1.52 219.1121826 0.04 228.3278503 0.61 231.0952148 1.28 236.0843201 0.79 242.0932007 1.30 244.1637573 0.16 245.1494751 0.21 252.2440796 0.18 254.1246948 83.41 257.0637207 0.05 259.1262512 0.11 260.1519165 0.26 261.2669067 0.04 262.2157288 0.11 270.1455078 0.10 272.1069336 100.00 278.2031555 0.07 288.1904907 62.84 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.183 Annotation Unknow Peak:m/z Relative Intensity 171.7076416 0.09 191.0811157 0.36 207.1049194 0.27 209.0410461 100.00 306.0226746 0.21 341.1758423 0.51 369.8622437 0.45 388.9772339 0.23 430.0289307 0.53 435.4656982 0.39 487.5789795 0.24 504.2573853 2.84 505.2080078 0.91 512.9198608 0.58 515.0313721 0.13 520.0264282 0.21 533.0445557 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 182.0807 Annotation 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline Peak:m/z Relative Intensity 104.0411987 0.04 123.9333954 0.03 136.0496216 25.92 136.7396698 0.02 140.1514282 0.03 146.9179840 0.15 154.1343689 0.03 164.9974823 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.18 Annotation Lippidulcine A Peak:m/z Relative Intensity 77.0087280 0.06 81.0052338 0.06 84.8120193 0.17 88.6743774 0.03 90.9835052 0.14 94.8204651 0.08 96.8984680 0.23 98.9848938 0.35 101.8714905 0.14 102.9155121 0.21 107.2207794 0.06 108.8786926 0.58 117.0447083 0.06 119.1763306 0.08 121.1375427 0.04 123.0832367 0.09 125.0185852 0.14 126.1449432 0.13 127.0806274 0.49 128.8985443 0.21 132.8595123 0.03 135.2058868 0.12 136.6739807 0.21 139.0072632 0.39 144.9439240 0.15 146.9407501 0.03 149.0430756 0.21 151.0413361 0.57 151.9873047 0.05 152.9526672 0.11 155.1672821 0.19 156.0513306 0.06 159.0889282 0.09 160.8089600 0.12 163.1395721 1.08 165.1426239 0.60 166.5684357 0.04 168.1285248 0.06 171.0171051 0.09 172.2707825 0.02 173.1573029 0.05 175.2266541 0.20 176.1154633 0.21 177.1420746 0.20 179.0929260 0.46 183.1950531 0.21 185.1588135 0.16 186.9003906 0.11 187.6168060 0.09 189.0595398 0.79 190.9046783 0.16 192.9497833 1.10 195.0461578 0.55 196.1847076 0.03 197.0777740 0.21 199.1833801 0.08 200.0565948 0.14 202.9870453 0.05 203.8570404 0.03 205.0124969 0.20 205.9741058 0.22 207.0455170 0.97 208.1259003 0.12 209.1044922 0.37 209.9834442 0.31 211.0721588 0.93 212.2325134 0.04 217.1120758 2.03 217.8901215 0.13 220.9213562 0.17 222.9961090 0.19 223.8296661 0.40 225.0489502 1.26 225.9441071 0.04 235.1216431 100.00 236.0829620 0.44 238.3816376 0.07 243.8018799 0.24 253.1441498 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 723.3792 Annotation Gingerglycolipid B Peak:m/z Relative Intensity 269.3146362 0.09 279.3795776 0.05 287.1644287 0.09 304.8372803 0.10 367.5601196 0.10 381.1909790 0.16 382.3034668 0.21 391.1126709 0.10 397.2264404 9.04 415.2620239 0.66 453.3418579 0.05 628.1865234 0.24 633.7124634 0.21 646.5750122 0.18 677.3016357 100.00 679.4970093 0.18 686.8261108 0.49 695.6177979 0.09 697.2445679 0.17 704.8331909 0.58 724.4124146 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 474.262 Annotation LysoPE(0:0/18:3(9Z,12Z,15Z)) Peak:m/z Relative Intensity 153.1086731 0.28 179.2505493 0.05 185.0368958 0.07 196.0849152 0.26 205.0888672 0.08 214.1277924 2.61 233.2273712 0.42 259.0616760 0.12 273.2909546 0.15 275.3543701 0.57 277.2664490 100.00 306.3396606 0.17 345.6499023 0.35 357.6876831 0.04 386.2263184 0.15 387.0899963 0.07 390.0778503 0.15 395.4028625 0.06 400.3046570 0.11 401.0732117 0.07 402.5057068 0.20 414.2459717 0.22 430.4852905 0.11 436.1249695 0.39 438.1700745 0.08 440.4651184 0.17 443.8781433 0.33 445.5527954 0.36 454.2035828 0.22 455.9405212 0.62 457.2460327 0.06 464.5327454 0.08 473.5420837 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1087.5305 Annotation Kudinoside C Peak:m/z Relative Intensity 321.2951660 0.09 322.8062134 0.18 380.4957581 0.06 389.0518188 0.05 407.3018188 0.09 409.3250427 0.05 411.3797607 0.21 439.6408691 0.28 441.6357727 0.03 443.4716187 0.10 457.6640015 0.07 467.2934570 1.34 487.4859314 2.40 601.5963135 0.04 617.7001953 0.18 619.4655151 100.00 620.0936890 0.28 633.8636475 0.11 661.4620361 0.61 685.3148193 0.03 693.0623779 0.16 701.5618286 0.11 715.3156738 0.04 763.0790405 0.06 821.8250732 0.06 859.0915527 0.07 925.3521729 0.37 943.4499512 0.64 985.5375977 0.08 1015.2214360 0.04 1025.7264400 0.20 1043.4501950 0.24 1044.3000490 0.03 1057.0961910 0.06 1069.4281010 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 468.2484 Annotation Malyngamide T Peak:m/z Relative Intensity 144.9471436 2.18 146.9489136 12.66 149.0132141 0.05 150.8840790 0.11 155.0028534 2.39 157.0351562 0.21 157.9253845 0.13 162.0184937 0.13 169.4350586 0.20 172.1515198 1.36 175.9761047 0.30 177.0800781 7.24 186.1817932 0.37 198.0578918 1.85 204.0312195 100.00 205.2490082 0.38 206.2093506 0.14 217.1122131 0.09 218.1472931 2.64 221.1492462 3.12 233.1880646 0.70 234.1986389 34.69 235.0242310 0.18 248.1961060 9.33 249.2974548 0.28 251.0927429 0.83 252.0303955 0.24 262.9921875 0.07 265.1430359 0.54 274.2634277 7.10 275.1516418 8.38 275.7556763 0.03 285.2035522 0.04 291.1061401 0.60 292.2203064 38.76 293.0130920 0.52 301.2217712 0.66 304.2179565 7.77 305.2413025 3.43 308.3454895 0.20 316.3674011 0.08 317.2373352 0.94 318.2271729 5.86 322.3040771 36.14 323.4550781 0.19 330.9906616 1.11 331.6838684 0.08 337.9005127 0.09 347.3608093 1.07 348.1763611 0.75 358.5674438 0.28 369.1565552 0.27 372.2674255 0.05 390.3032837 0.47 397.1907349 0.55 411.7576599 0.64 420.5610046 0.08 422.1674500 0.09 426.4732971 0.11 427.2560120 0.08 450.3512878 16.44 451.3134766 32.91 452.2267761 0.60 456.3335266 0.07 459.3661194 0.56 460.2084351 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 372.0931 Annotation DIMBOA-Glc Peak:m/z Relative Intensity 113.0555801 0.92 122.0831833 1.27 129.2871246 0.11 156.9373169 0.08 174.2659302 0.05 175.0933838 0.17 189.0122528 0.10 191.0325775 0.13 192.2822571 0.05 193.0544434 0.65 195.1390381 0.03 198.2273712 0.06 203.1179810 0.04 204.9784851 0.05 209.1657715 0.32 210.1042480 0.12 231.0875549 2.41 241.2120972 0.11 246.9921570 0.17 249.0705566 100.00 249.9376831 0.11 251.2866211 0.11 253.1551819 0.07 256.2980957 0.07 257.0346069 0.10 267.1446228 0.06 273.2898254 0.09 278.1892395 0.09 284.2423096 0.06 295.0395508 0.03 295.7420654 0.09 296.3686523 0.07 302.3082275 0.04 303.8706360 0.17 309.1170654 0.08 310.2874146 0.05 310.9822083 0.09 323.4841614 0.04 325.0001831 0.30 326.2195129 0.30 327.0684509 0.15 328.3249512 0.40 339.2527466 0.69 340.4584351 0.20 341.2613831 0.57 354.1947021 0.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 355.0667 Annotation Caffeic acid 4-O-glucuronide Peak:m/z Relative Intensity 111.0094986 0.37 114.8547440 0.10 124.8612518 0.09 128.9715576 1.95 133.1583405 0.17 144.8116913 0.02 147.0048523 2.96 162.9952393 0.26 170.4281311 0.04 172.9647369 1.98 190.9933624 100.00 193.2131500 0.12 206.8731689 0.04 209.0886841 33.59 221.1635132 0.10 225.0599060 0.10 236.9457703 0.19 257.3041687 0.06 261.1700439 0.09 265.0504150 0.14 293.4477539 0.06 309.1901550 0.09 311.1757812 0.07 317.1984253 0.08 319.0007324 0.19 337.0223694 11.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 845.911 Annotation Unknow Peak:m/z Relative Intensity 254.8535461 0.15 270.9638367 0.06 281.2439880 0.06 285.9815674 0.02 291.7224121 0.05 295.0910034 0.09 297.1150208 0.06 299.3016968 0.03 303.2816772 0.26 311.5564880 0.39 313.1045532 0.16 340.8654785 0.13 343.1764832 0.52 360.2535400 0.94 362.0278015 0.35 363.2315674 0.19 371.5231323 0.03 379.2787170 0.16 381.3456421 0.18 384.1488037 0.09 391.1571655 0.30 394.5893555 0.07 396.3599854 0.11 406.4515381 0.08 408.2753296 1.28 410.4216919 0.07 427.1530151 0.12 438.2174683 0.07 447.4543457 0.09 455.4554443 0.12 462.4246216 0.03 465.5394897 0.11 468.3317871 0.15 469.4988403 0.10 479.5598755 0.22 483.2005005 0.08 484.2760620 0.17 491.5838623 0.04 493.8945923 0.04 495.3912354 0.20 505.5559692 0.02 506.4239502 0.62 507.5407715 0.33 523.2933350 1.61 524.3957520 0.17 529.5563354 0.08 537.4683228 0.07 541.3694458 3.28 542.1657104 0.08 550.2604980 0.06 563.4035645 0.34 564.2081909 0.10 578.4281006 2.78 579.2637329 0.61 583.3024292 0.04 591.1925659 0.09 592.2384033 0.43 594.3399048 0.15 596.4879761 2.50 602.4531860 0.15 609.3655396 0.06 612.1795044 0.06 618.4132080 0.13 619.0471191 0.19 622.4553833 0.26 624.4812622 0.19 636.2677612 0.51 637.5863037 0.26 638.3751831 0.71 639.4185181 0.17 645.6356812 0.49 648.3557739 0.08 652.0558472 0.48 653.7941895 0.20 655.1627197 0.20 657.9735718 0.48 658.7285767 0.11 666.3473511 0.46 667.4089966 0.51 672.2605591 0.54 680.8441772 1.15 681.4970093 1.46 682.4145508 0.15 684.0396118 0.75 685.8167114 0.66 686.5491333 1.22 687.2791748 0.14 688.5164185 0.04 689.8206177 0.25 695.0436401 7.73 695.9484253 0.07 696.5960693 0.16 698.5657349 0.20 704.3294067 0.19 711.4793091 1.90 712.7623901 0.25 715.5602417 0.19 716.7278442 0.73 721.7689819 4.55 722.4273682 0.07 725.9048462 0.21 727.4874878 0.22 730.6679077 24.55 731.5613403 0.50 734.1220093 0.42 735.3615112 0.13 738.6196899 0.20 744.3352661 0.19 747.7860107 0.12 749.9085083 0.79 752.3511353 7.36 753.0255737 3.74 753.9623413 0.05 754.8641968 0.07 755.5780640 0.11 756.5936890 0.24 757.2715454 0.31 761.1445923 100.00 762.1478271 3.11 763.0612793 1.37 763.9064331 0.64 764.6040039 0.59 765.9143677 3.01 766.5402222 1.98 767.8039551 0.24 768.5923462 0.55 771.1819458 6.48 772.1893921 0.39 773.0342407 0.06 776.7094727 0.03 777.6999512 0.06 778.9083252 0.36 780.1210938 59.99 781.2089844 1.02 781.9877930 0.47 783.9088745 0.24 785.3461304 0.52 788.2953491 0.32 789.0370483 0.03 792.7990723 0.05 794.6268311 2.53 795.4263306 0.03 796.0436401 0.04 800.1696167 0.14 802.2838135 0.16 806.4563599 0.16 810.6942749 0.63 812.0769043 0.22 813.2287598 0.23 814.1929321 0.16 821.6836548 0.06 824.1970825 0.29 828.1067505 2.16 829.0364380 0.49 832.4598999 0.28 833.6453247 0.04 837.0531616 0.81 837.6866455 0.52 845.7916870 0.19 848.8425903 0.11 861.5858765 0.04 866.4807739 0.30 870.5917358 0.06 879.3269653 0.37 882.6953735 0.18 883.9213867 0.22 897.2418213 1.27 898.4890747 0.39 901.2863159 0.14 905.5617065 0.13 906.5335083 0.51 910.8495483 0.21 919.5885620 0.39 924.3178711 0.28 935.6287231 0.13 937.8557739 0.25 940.2433472 0.46 942.6353149 0.33 956.4015503 0.09 961.5430298 0.03 963.6121216 0.65 964.4240112 0.66 980.4984741 4.34 981.5458374 1.83 982.5242310 0.17 983.2227173 0.17 988.1821899 0.75 992.2095337 0.33 998.6940308 0.12 999.6794434 0.10 1018.8900760 0.48 1019.6150510 0.33 1034.7237550 0.05 1036.5983890 0.31 1040.1300050 0.08 1043.5078120 0.08 1053.6495360 1.72 1054.8272710 0.45 1071.9256590 0.10 1077.4772950 0.23 1078.5604250 0.76 1079.2823490 0.13 1079.9860840 0.09 1081.9620360 0.27 1082.8122560 0.08 1095.6010740 5.56 1096.6839600 1.82 1099.1829830 0.30 1128.1176760 0.34 1133.8145750 0.26 1134.4245610 0.13 1135.5833740 0.19 1139.9312740 0.08 1143.0834960 0.25 1147.7601320 0.10 1149.1997070 0.26 1149.8576660 0.31 1152.5037840 0.11 1153.7973630 0.25 1161.3666990 0.31 1162.8404540 0.26 1168.7551270 1.02 1169.6666260 1.24 1176.6911620 0.08 1188.8089600 0.06 1191.7070310 0.06 1198.5718990 0.12 1208.7086180 1.11 1209.7690430 0.41 1217.8603520 0.10 1218.7629390 0.35 1219.6875000 0.11 1233.9718020 0.08 1235.6943360 0.26 1242.7303470 0.37 1244.7913820 0.08 1246.6013180 0.34 1247.6501460 0.06 1261.9586180 0.34 1271.6044920 0.03 1272.7442630 0.03 1273.8319090 0.15 1279.5228270 0.49 1289.5920410 0.06 1295.5256350 1.05 1296.7519530 1.29 1306.6450200 0.25 1314.6698000 0.09 1317.0557860 0.07 1331.6356200 6.16 1332.6358640 3.16 1333.7595210 0.11 1352.6104740 0.21 1360.8012700 0.40 1371.3380130 0.18 1388.5810550 1.57 1389.6071780 1.08 1390.3830570 0.05 1405.7307130 0.12 1423.4049070 0.16 1425.2175290 0.05 1433.0976560 0.12 1435.8170170 0.12 1441.8315430 0.11 1442.7147220 0.07 1459.6895750 5.87 1460.7708740 2.76 1504.3757320 0.07 1521.0267330 0.69 1521.8935550 0.23 1530.4183350 0.14 1558.8023680 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 439.1818 Annotation Unknow Peak:m/z Relative Intensity 129.0316925 0.12 130.9433899 0.05 139.2375183 0.09 143.1332550 1.52 148.9051514 0.07 153.1217957 0.04 155.0467834 0.21 157.1742859 0.29 158.9916077 0.11 160.9938812 1.20 165.2314148 0.21 167.1179962 0.26 172.9017944 0.18 178.9435120 1.85 188.9093018 0.04 203.0571594 0.51 204.4362793 0.08 208.1570282 0.07 216.4104919 0.19 217.3325806 0.03 232.9169006 0.16 245.0171814 0.44 257.4933167 0.04 262.7022705 0.21 273.2100830 0.04 275.6419067 0.05 277.0397034 0.14 287.3775024 0.21 305.9842224 0.18 307.5350037 0.06 323.2168579 38.12 341.1720581 100.00 343.4525757 0.08 344.0713501 0.06 393.5158997 0.11 401.4056091 0.20 403.3277893 0.15 420.1327209 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 692.4048 Annotation Unknow Peak:m/z Relative Intensity 198.9986877 0.08 201.2086487 0.04 203.0012970 0.05 204.1751099 0.04 215.1194763 0.07 217.0341492 0.10 217.9786224 0.05 219.3214874 0.02 220.9988708 0.18 228.2199860 0.19 234.2174835 0.02 235.0736847 0.08 239.2122803 0.48 243.2209930 0.51 243.8212280 0.07 245.1200409 0.14 250.0759277 0.04 258.1997375 0.19 259.1142273 0.12 260.3656616 0.18 261.3917236 0.04 262.1030273 0.14 262.8811035 0.08 264.9743347 0.18 274.2021484 0.05 276.0532532 0.02 282.5170593 0.05 283.2002869 0.36 285.5291138 0.08 287.2025757 0.59 293.2077637 0.04 295.1832275 0.14 299.0820312 0.10 303.0300293 0.32 305.1085205 0.89 307.0897522 0.06 309.2579346 0.09 312.0104370 0.08 316.4178467 0.04 317.5825806 0.14 319.9937744 0.07 324.1043091 0.07 326.9586182 0.27 328.7664795 0.06 330.1151733 0.07 331.1619873 0.55 341.1479492 0.05 342.3232422 0.22 344.0877075 0.02 345.4945984 0.05 347.7591248 0.16 349.2023926 0.51 362.4507446 0.17 363.2181396 0.05 364.4370728 0.03 367.1642456 0.29 367.9097290 0.13 370.4810181 0.04 371.3571777 0.14 372.2655640 0.11 375.1581421 1.13 376.1175537 1.54 377.2906494 0.05 379.3852539 0.04 389.9959717 0.06 391.7291870 0.05 393.3460083 1.11 395.1658325 0.13 397.0881348 0.07 398.5897827 0.04 401.7177124 0.03 402.7023315 0.09 411.2606812 0.26 417.2247925 0.09 419.2644043 0.26 420.8981323 0.02 426.7349243 0.06 430.3023682 0.07 433.3911133 0.03 435.5120239 0.03 437.2405396 1.10 439.1649170 0.03 442.1032104 0.15 444.3242798 0.13 445.2903442 0.20 453.5585938 0.02 454.2443848 0.06 455.1699219 0.10 457.0732422 0.19 459.3207397 0.13 460.2274780 0.40 461.3264160 1.00 462.2926025 0.15 463.3555298 0.20 463.9776611 0.03 465.1909180 0.17 466.4618530 0.08 471.4067383 0.06 472.2651367 0.84 477.2345581 0.06 481.2113037 1.36 481.8627930 0.03 482.5016479 0.05 483.1412964 0.02 486.4227905 0.08 488.3310547 3.30 489.2523193 9.01 490.2680054 1.51 491.3898926 0.04 496.1238403 0.07 499.4357300 0.37 500.2498169 0.07 503.5086670 0.11 505.3607178 0.17 506.3209839 0.05 507.5746460 0.20 510.2673340 0.06 512.4783936 0.06 516.5076294 0.31 524.0787964 0.16 525.2749634 0.81 526.1119995 0.24 527.1946411 0.43 528.1744385 0.09 528.8778687 0.06 530.2559204 0.07 532.4413452 0.06 533.5493774 0.14 535.3603516 0.08 539.3872681 0.13 543.5197754 0.56 545.4508667 0.11 546.4123535 0.15 547.3919067 0.07 550.5094604 0.03 552.3261108 0.13 553.4199829 0.15 557.8546753 0.21 560.2210693 0.20 561.1226807 0.07 565.1663818 0.09 566.6992798 0.19 568.5835571 0.14 569.3126221 1.68 570.6459961 0.04 571.4888306 0.10 572.6217041 0.24 575.5762939 0.08 580.6304321 0.05 585.2828979 0.13 586.2018433 0.07 587.3124390 2.10 588.7951660 0.52 589.4864502 0.72 591.3549805 0.13 592.6162720 0.08 597.5405273 0.02 599.6500854 0.38 601.3173828 0.05 602.2890015 0.04 607.5680542 0.16 609.7828979 0.41 610.5729980 0.17 611.4207764 0.23 613.3446655 0.78 614.5275269 0.15 615.1394653 0.06 616.8560181 0.10 617.4822388 0.03 619.3533936 0.20 620.1307373 0.08 620.8650513 0.12 622.8070679 0.22 625.0863647 0.15 625.8312988 0.21 626.8888550 0.50 628.0595703 0.07 629.9276733 0.39 631.4664917 1.92 634.4004517 0.06 635.3753052 0.02 636.4395142 0.34 637.4277954 0.17 639.3096924 0.05 640.6528320 0.75 642.6775513 0.11 643.8578491 0.18 645.2342529 0.05 647.3441772 0.38 648.1456909 0.56 648.7681885 0.05 649.5217285 0.14 650.3817139 0.21 653.8153076 0.84 656.5016479 0.20 657.2557373 1.34 658.3516235 0.70 659.0985718 0.12 661.4973755 0.16 663.1455688 0.06 663.9786987 0.07 664.6107178 0.08 665.3124390 0.27 666.0009155 0.55 667.3916016 0.44 668.5935669 0.05 670.7051392 0.03 672.0398560 0.06 673.6749268 0.70 675.3164673 100.00 676.1807861 0.36 677.0892334 0.24 681.4511108 0.59 682.4541016 0.08 683.2837524 0.35 684.0725708 0.14 684.8197021 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 662.2206 Annotation Unknow Peak:m/z Relative Intensity 193.0188904 0.77 197.0636597 0.04 201.1022186 0.11 209.0596924 0.04 214.2716980 0.10 215.0495300 0.22 220.2271729 0.03 221.2136841 0.05 225.1821594 0.08 225.8959808 0.04 226.8383636 0.11 233.1020508 1.37 238.0412750 0.04 244.0125732 0.08 245.2855072 0.10 246.0307312 0.12 250.3414612 0.32 251.1807861 0.46 251.8039551 0.04 254.0692902 0.15 255.9735870 0.10 261.0343018 0.06 267.8776855 0.15 269.1835022 0.30 270.1181641 0.13 272.2117615 0.27 273.0297852 0.11 273.9425659 0.03 278.0785217 0.07 281.2033691 0.09 282.9081421 0.08 287.2011414 0.04 288.5773010 0.13 289.3078613 0.25 290.3829956 0.10 291.1377563 0.12 292.0694580 0.26 295.5655823 0.04 296.4050598 0.08 298.3016052 0.12 298.9973145 0.02 301.1877441 0.12 303.6118164 0.21 304.5764771 0.06 305.2909546 0.50 308.0818481 42.77 309.1758118 0.06 322.4966431 0.29 323.2378540 1.19 324.5334473 0.06 327.0224609 0.05 332.3928833 0.21 339.9474487 0.02 341.1467285 1.19 343.4934692 0.05 345.4631958 0.19 348.3321533 0.05 350.0501099 0.74 350.8016968 0.10 354.0678711 0.13 355.8056030 0.15 359.1360474 0.17 360.2562256 0.09 363.2142334 0.06 366.2398071 0.06 367.2155762 0.10 371.4275513 0.04 373.1640625 0.06 374.1428833 0.03 375.8898315 0.06 377.4093018 0.05 380.2963257 0.09 383.1789551 0.03 385.3843994 1.19 386.3786011 0.18 391.5526733 0.13 392.3698730 0.04 394.5431519 0.07 395.2431641 0.05 396.1624146 0.08 398.3328247 0.33 399.4585571 0.03 401.3003540 0.08 402.2136230 0.28 404.8460083 0.13 410.7125854 0.05 413.1406860 0.23 414.2019653 0.25 415.6104126 0.05 416.2996826 1.66 417.3167114 0.18 417.9392700 0.14 418.8403931 0.06 420.6124268 0.03 425.2551270 0.36 426.0081787 0.09 428.1632690 0.03 429.2723999 0.02 431.3985596 0.09 432.2302856 0.11 433.6063232 0.18 434.2357178 1.60 435.0442505 0.08 436.3973389 0.13 437.0171509 0.02 439.0513916 0.05 441.4918213 0.12 443.6762695 0.09 445.3571167 0.20 447.4655151 0.06 450.1745605 0.15 452.1112671 10.38 452.9625244 0.11 453.9247437 0.13 458.4053955 0.03 459.4180908 0.15 460.4108276 0.02 462.0452881 0.08 463.1380005 0.05 466.3157349 0.05 470.1217041 100.00 470.7661133 0.67 471.5126953 0.20 474.7290039 0.23 481.2104492 0.03 482.2699585 0.14 483.0159302 0.07 484.8171387 0.10 486.4039307 0.04 487.1544800 0.12 492.3712158 0.11 494.4093628 0.05 495.1733398 0.09 496.3183594 0.18 500.0249634 12.01 501.3658447 0.03 507.2771606 0.18 509.2726440 0.05 511.9379883 0.05 514.4674683 0.04 515.3532104 0.02 520.0626221 0.20 522.3009644 0.19 524.6275024 0.15 525.3268433 0.08 526.1916504 0.14 527.1757812 0.13 527.9880981 0.13 530.3963013 0.13 532.0986938 0.38 533.2261353 0.38 534.2896118 0.69 538.1151123 0.33 539.3755493 0.06 540.1522827 0.22 542.3409424 0.45 543.2210693 0.19 546.4494019 0.06 547.4317627 0.04 549.0983276 0.09 551.3169556 0.04 553.3041382 0.16 554.9977417 0.03 555.8662720 0.04 557.1523438 0.12 558.3693848 0.37 559.0842896 0.26 561.4539185 0.24 568.7694702 0.46 569.7659302 0.14 571.4768677 0.23 572.3106689 0.46 573.4414673 0.28 575.0844116 0.28 576.1029663 0.05 577.0066528 0.06 578.1362305 0.08 579.7321777 0.27 580.5060425 0.08 584.4321289 0.09 586.2439575 0.32 587.9819946 0.08 589.0841675 0.21 589.6997681 0.35 595.1662598 0.04 597.3921509 0.16 599.6720581 0.42 601.3523560 0.23 602.0102539 0.08 607.8610840 0.20 608.8479614 0.42 610.1042480 0.18 612.8529053 0.08 614.9190063 0.20 615.9642334 0.28 617.0739136 0.13 618.2413940 0.40 618.9257202 0.13 620.0939331 0.06 622.7026978 0.32 624.9273682 0.10 626.2462769 0.40 627.2015991 0.16 628.2919312 0.12 629.3202515 0.09 630.1968384 0.53 634.1862793 0.21 636.2142334 0.15 637.6729736 0.36 643.5766602 2.08 644.2911377 3.19 645.5018921 0.49 649.7051392 0.43 650.8134155 0.29 652.1254272 0.76 653.0729370 2.03 654.3938599 0.11 656.2489624 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 673.22 Annotation (+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside Peak:m/z Relative Intensity 215.0064240 0.29 313.9917603 0.06 315.1530151 0.12 330.9215088 0.06 411.9629517 0.08 413.1447144 0.32 414.0909424 0.56 426.9612427 0.53 427.8007202 0.14 428.9612427 1.81 430.0833740 0.12 440.2517700 0.29 442.9536743 3.06 444.1782837 2.07 444.9649658 2.56 445.9346924 1.00 457.0930176 0.63 460.7255859 0.10 503.1049194 0.27 510.9835205 0.19 525.4205933 0.19 526.9523315 3.12 527.9671021 6.03 528.9555054 4.35 542.9202881 1.34 544.3031006 0.72 555.8322754 0.14 556.8851929 30.72 558.0393066 26.27 558.8861084 100.00 559.9277954 18.48 561.0120239 0.15 561.9296875 0.29 573.1884766 0.32 574.5358276 0.13 575.6691895 0.27 576.6935425 0.40 579.0125732 0.11 583.2503052 0.08 596.8576050 0.13 598.6957397 0.33 616.7068481 0.92 626.8020630 0.54 631.8232422 0.31 641.0340576 0.49 646.6652222 0.17 650.1152344 0.17 651.8265991 0.31 657.9750366 0.16 658.6615601 0.04 673.0778809 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 369.0827 Annotation Caffeic acid 4-O-glucuronide Peak:m/z Relative Intensity 110.9627304 1.33 113.1737976 0.08 119.0559540 0.13 128.9555664 7.42 143.1314697 0.07 153.1722717 0.04 158.1846924 0.10 161.0332947 1.04 162.9924316 0.58 175.3050842 0.24 178.9536743 0.13 187.0207367 2.64 202.9334412 0.19 205.0732422 36.31 214.3484955 0.09 218.8920288 0.07 223.0350037 100.00 228.1295166 0.04 231.3379211 0.17 233.0594177 0.10 279.2766113 0.17 305.1271667 0.15 323.2037048 13.76 325.2379150 0.07 330.4378357 0.34 332.2594299 0.28 351.1427307 3.26 374.5943298 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1423.6389 Annotation Unknow Peak:m/z Relative Intensity 467.2621765 0.39 469.5274048 0.39 470.7078552 0.13 483.1607666 0.09 485.0967407 0.33 503.1634216 0.14 511.5263977 0.19 557.6848145 0.04 566.9634399 0.06 568.1365967 0.08 575.2052002 0.05 587.7386475 0.30 591.4362793 0.79 613.5155029 0.86 614.6611328 0.30 629.2764893 2.33 630.4910278 0.22 631.4925537 3.79 632.5388184 0.35 647.3233643 0.36 651.4493408 0.02 672.6697998 0.08 673.3897705 0.16 685.0646973 0.05 695.4946289 0.04 697.7360840 0.08 702.3479614 0.08 711.6649170 0.25 727.6810303 0.87 739.4147949 1.40 740.6566162 0.16 753.5809326 0.06 757.3077393 0.03 760.6326904 0.05 775.4674683 27.72 776.5303955 4.54 793.4802856 100.00 794.5979004 12.69 817.4147949 0.83 818.3234253 0.35 835.6161499 5.92 836.6696167 0.65 853.8081665 0.08 857.5601807 0.26 875.6572266 0.33 876.4403687 0.09 889.4000244 0.07 932.0421143 0.08 935.4708252 0.07 937.5147705 0.13 940.4174805 0.30 955.5618896 6.75 956.5756836 1.97 979.5139160 0.09 982.5806885 0.06 997.5080566 4.12 998.5383301 0.30 1033.2149660 0.09 1039.2967530 0.38 1079.1718750 0.10 1079.9915770 0.09 1084.7663570 0.06 1099.3707280 0.15 1118.3454590 0.07 1171.9317630 0.09 1225.6916500 0.03 1249.4531250 0.30 1251.3676760 0.09 1261.5541990 1.15 1279.4646000 21.50 1280.5029300 3.51 1284.2951660 0.59 1321.4605710 4.06 1322.4572750 1.17 1331.9393310 0.34 1358.7254640 0.32 1361.4519040 3.02 1362.4924320 0.47 1379.6112060 0.20 1380.8205570 0.04 1387.9044190 0.30 1393.7152100 0.22 1397.2314450 0.23 1401.6643070 0.27 1402.6911620 0.36 1404.1029050 0.04 1405.7670900 1.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 426.1 Annotation Unknow Peak:m/z Relative Intensity 121.2060165 0.14 126.9388046 0.47 128.9680176 0.42 130.1875000 0.12 132.8338165 0.21 135.9542847 1.00 143.1359558 0.21 143.9408264 1.65 145.9573364 0.68 154.7994537 0.68 156.2466888 0.98 157.0676880 0.29 157.9307098 0.50 161.8980255 7.81 176.1049805 0.20 178.9767151 46.72 179.8640137 0.07 182.1444855 0.58 187.1856079 0.15 187.8667908 0.25 188.9635315 6.22 190.9815216 0.16 193.9738464 2.08 194.9194641 0.10 200.9403687 0.31 203.1344452 0.35 205.0355682 2.21 207.2147217 0.37 209.0004578 0.30 210.1611023 0.37 215.0620422 0.62 218.9438782 0.26 226.1990509 0.31 229.0464935 0.10 229.9068298 0.16 231.1323242 1.89 233.0363159 1.43 233.9819031 0.20 236.9776001 0.07 239.3092041 0.30 243.3329773 0.65 244.9136963 0.65 247.0654907 0.66 249.0286865 50.92 251.2395935 0.20 252.2290955 0.23 258.9147034 0.27 260.3194580 0.49 261.4898071 0.08 264.0133057 0.43 269.4152222 0.66 270.1396484 0.45 271.1990967 0.67 272.1074219 1.24 276.0716553 0.46 278.3154907 0.15 279.3606262 0.92 280.3352661 0.53 281.1903687 0.85 281.8398438 0.22 285.1571045 0.25 287.1490173 0.12 288.2188110 0.23 290.0704956 0.70 292.2334595 1.26 293.4676514 0.13 294.2076416 0.16 297.0253906 100.00 299.2307129 0.72 300.2517090 0.25 300.9767456 0.49 302.4046021 0.15 305.5053711 0.16 308.1912842 37.70 312.4819336 0.61 316.2181091 3.34 316.9405212 0.65 318.1702271 0.75 319.8096313 2.04 322.6692505 0.48 324.1110840 0.12 324.9357300 0.64 326.8510742 0.34 331.6594849 0.12 332.3653564 0.29 334.1891174 10.97 336.1515198 1.18 342.1571045 0.06 343.8493652 1.69 345.2007751 0.35 348.1653442 0.34 349.3120422 1.62 350.0689697 0.51 351.1220703 11.87 354.1176758 1.44 355.9123840 0.32 356.8382568 0.74 358.9861755 0.65 360.1108704 5.08 360.8437500 0.28 361.6282043 0.16 362.4683838 0.59 364.1737976 0.41 365.3486023 2.18 366.2441711 3.34 370.2539978 0.10 371.5071716 0.55 372.2975159 5.54 373.5102844 4.62 374.3370056 3.37 375.3473816 4.06 377.6832581 4.08 378.3076172 7.25 380.2934875 0.91 381.0642090 0.76 382.0896912 3.72 384.0226135 0.07 387.3618164 0.24 389.3151550 3.89 390.3601074 0.19 397.6665955 0.84 404.0177307 0.43 404.9643555 0.99 405.6257935 0.17 407.4636536 14.46 408.1536255 6.49 409.1405945 0.99 412.5407410 1.15 415.0502014 2.24 416.9569397 19.60 417.8030396 0.50 419.4973145 2.96 420.3115234 0.39 421.0289917 0.51 432.1495361 0.18 436.5823669 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 579.21 Annotation Stecholide L Peak:m/z Relative Intensity 181.1197510 0.10 207.0789185 0.03 252.6829224 0.03 254.3161011 0.06 291.4192505 0.01 323.0577393 0.02 329.2058105 0.02 341.3281250 0.03 356.1900024 0.02 370.4309692 0.06 371.4036865 0.06 372.2045288 0.03 386.6754761 0.03 402.2446289 0.06 402.9914551 0.06 417.2145996 100.00 426.2557983 0.10 427.4061279 0.01 433.3873901 0.01 434.2892456 0.05 435.4952393 0.01 459.5277710 0.04 461.4205322 0.03 464.3546753 0.03 476.2095947 0.03 477.2568970 0.06 483.0383911 0.10 487.4736938 0.03 491.6044312 0.13 493.5264282 0.01 501.0307617 0.01 510.3702393 0.04 514.9967651 0.01 533.2742310 0.17 534.7381592 0.03 535.5289917 0.02 542.1397705 0.09 543.3858032 0.05 544.4721680 0.04 545.6090698 0.14 560.4208374 0.12 561.4664307 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 514.1848 Annotation Acrimarine H Peak:m/z Relative Intensity 146.1264496 0.21 148.5032043 0.31 151.1640930 0.58 159.1177979 0.14 161.0629425 6.35 162.1464539 0.09 163.1845856 0.24 164.1819458 0.14 175.1866302 1.33 176.0583649 16.89 177.0140533 2.45 179.0703278 0.44 183.1213531 0.07 186.3138733 0.20 187.2444000 0.09 189.2099152 0.30 192.0962524 1.82 192.8292542 0.09 207.1598206 100.00 210.8230896 0.03 212.3381500 0.05 214.9118347 0.07 226.9621429 0.04 233.1993713 0.06 234.1625671 0.69 235.1027374 0.14 239.1202545 0.06 241.1532745 0.22 249.7068634 0.20 252.7645569 0.15 259.3493958 0.14 264.1168823 0.04 265.2482910 0.57 266.1732788 0.08 272.3692627 0.11 282.0358276 2.72 292.0129395 0.07 298.2772217 0.11 302.3568726 0.12 303.1549072 0.04 314.3735352 0.08 319.1813354 0.08 320.4213867 0.43 325.1599121 0.20 329.7800293 0.15 334.0895386 0.18 336.3156738 0.05 337.7259521 0.23 342.1924438 0.10 345.7814331 0.10 346.6494141 0.31 349.1871948 0.09 352.1835938 0.07 353.0933838 0.45 355.2400513 0.06 363.1801758 0.06 369.2254028 0.42 373.2101440 0.05 375.4418335 0.07 380.5651855 0.29 381.5308228 0.15 385.0152588 4.71 390.2612915 0.14 395.3432617 0.23 397.8240356 0.05 399.1462402 0.05 409.4025879 0.14 410.1633911 0.24 411.3543701 0.05 424.2188110 0.08 426.3384399 0.10 431.2574463 0.39 432.2815552 0.18 433.0319824 0.43 439.1157837 0.76 439.8314819 0.39 441.1936035 0.14 446.2666016 0.56 449.7600098 0.07 454.7797852 0.26 456.9087524 0.45 461.8239746 1.26 468.0305786 0.27 470.9909058 0.23 476.8963013 0.32 478.6370239 0.48 482.3438721 0.23 483.3092651 0.28 485.2771606 0.34 490.9512329 0.16 495.4453125 0.46 496.3292847 0.86 497.3534546 0.31 499.5215454 0.29 500.5703735 0.23 505.5415039 2.07 506.3448486 1.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 337.1289 Annotation Acetyldeoxynivalenol Peak:m/z Relative Intensity 99.1697769 0.07 100.9151611 0.74 103.0821838 0.13 105.0640640 0.08 106.1200943 0.09 107.0666656 0.13 109.8699646 0.05 110.9099121 0.69 113.0852203 0.55 117.1807327 0.05 117.7985840 0.20 125.0232697 0.29 130.0170441 0.64 130.9789734 1.55 131.8950806 0.78 132.9766693 100.00 133.5863037 0.03 141.0696564 0.20 142.3895569 0.91 143.0590210 2.18 145.3343201 0.04 146.2125244 0.21 152.9432983 0.15 154.9068756 0.58 157.0401306 0.53 160.7866821 4.60 164.3386536 0.30 173.0196533 2.51 184.9187317 0.18 189.0885925 0.31 190.7348328 0.10 193.3214111 0.11 195.2632751 0.06 202.9484558 8.22 206.8988647 0.60 217.0356445 13.60 221.0921326 0.05 232.9586182 0.09 235.2105103 0.07 236.1652832 0.08 241.3357544 0.48 246.9950867 1.50 250.1259155 0.11 252.9646912 0.20 263.0858154 0.14 265.2340393 0.07 273.2572937 0.13 276.4223022 0.21 277.0385132 0.17 281.1877747 0.20 283.1834106 0.21 290.0423584 0.49 291.0054932 1.38 293.3006897 1.09 294.2744751 0.21 301.3970642 0.36 306.9650574 0.43 309.4945068 0.18 318.0874634 0.09 319.0751343 2.58 319.7763367 0.12 322.3284912 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 498.2591 Annotation N1,N10-Diferuloylspermidine Peak:m/z Relative Intensity 144.9864807 3.40 146.0063477 0.07 146.9969482 0.05 149.2164917 0.34 154.9931488 1.06 155.9017029 0.04 160.9212036 0.16 161.9633179 0.06 172.0739441 1.73 172.9834137 0.05 177.0204163 17.98 177.7965698 0.20 179.1114655 0.08 190.1384583 0.04 198.1955109 1.07 203.8651123 0.11 206.2323608 0.49 211.3420105 0.04 218.2190704 0.39 219.1907196 0.31 223.3010254 0.05 233.1174622 3.25 234.1097107 100.00 235.1638184 1.82 247.6168823 0.96 248.2647095 9.32 249.1483765 0.04 251.1149902 3.08 265.1059875 0.22 291.2017822 0.64 295.2728271 0.07 303.1143799 0.47 304.2921753 11.33 305.2258301 8.40 306.3450928 0.18 322.2139282 63.35 323.3497314 2.03 331.3069153 0.35 347.2856445 2.49 348.2280884 6.31 349.3660278 0.15 353.3794556 0.03 360.8880615 0.11 365.6009521 0.03 368.5807800 0.18 399.4131775 0.83 410.3484802 0.11 411.7011108 0.06 427.3463440 0.48 438.6456299 0.06 480.4551392 15.63 481.3374329 18.70 482.3398743 0.58 483.3897400 0.03 484.6577454 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 81.0378418 0.22 102.8822784 0.32 104.061203 1.18 104.8306732 0.35 106.8091125 0.92 108.8657837 0.77 128.8948059 4.62 130.0233002 2.98 133.9308472 0.31 135.9649963 0.20 142.1226044 0.80 146.121582 0.30 147.0419464 0.92 148.1723022 0.27 150.9736938 49.63 151.9806366 43.50 153.0621796 2.00 154.0617981 0.24 157.1753693 0.37 158.3270874 2.37 160.4031525 0.58 161.9275055 1.07 164.1749878 0.80 165.9789276 0.89 166.9953766 1.80 168.0452118 6.62 169.2818146 0.43 170.0434418 4.04 172.1463013 0.63 176.1169891 1.84 179.0005798 2.19 179.965683 1.16 182.1268768 0.81 182.8062744 0.64 184.0934753 0.83 184.9730682 0.92 186.1284637 4.21 187.9350739 2.40 189.1161194 0.35 190.05336 0.44 191.3056183 0.26 192.1628265 1.74 193.8195801 3.00 195.0835266 0.74 197.9690094 3.38 206.0799103 4.65 208.121048 3.11 209.1389618 1.46 210.0969696 4.27 210.9473419 1.41 212.1360779 3.03 213.1422882 0.16 218.0774384 2.68 218.9433136 0.43 222.1829071 0.60 222.9120789 0.51 224.1721954 1.39 226.1527252 6.02 227.2341766 0.67 230.7411652 1.02 236.0575562 13.81 237.9906006 3.39 239.0246735 6.49 240.0986328 1.45 251.252121 0.27 252.0805511 0.81 253.0928345 100.00 254.1886749 74.34 255.2759857 1.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 380.1557 Annotation (R)-Pantothenic acid 4'-O-b-D-glucoside Peak:m/z Relative Intensity 112.1044159 0.02 113.0269928 0.26 114.0609512 0.03 115.9644623 0.19 117.0864029 0.02 118.8736420 0.33 125.1239014 0.05 126.0746918 0.17 128.0829163 0.39 128.9523926 0.44 129.9514313 0.16 131.0374451 0.14 141.9779358 0.18 142.9327087 0.37 143.6939392 0.06 144.9501648 0.10 146.0277252 58.14 147.0946655 5.37 149.0907593 0.11 150.0773163 0.06 151.1285706 0.07 153.1034546 0.03 159.0893402 0.18 159.8241119 0.03 160.9802246 1.12 161.8676453 0.13 169.9703369 0.14 173.0765381 0.35 174.0814209 0.97 174.9776611 0.07 179.0879822 0.24 183.1148376 0.05 184.1128540 0.04 188.1462708 0.21 189.1360626 0.01 195.2579651 0.03 198.2878723 0.08 200.1703339 3.38 201.0602112 0.29 202.5551758 0.03 206.1886292 0.06 214.9163361 0.19 216.1056213 0.02 217.0143585 0.08 218.2217712 4.64 219.2228699 0.70 231.1880798 0.11 232.9573059 0.01 234.0380249 0.03 242.2018738 0.24 243.2846069 0.03 245.1709290 0.06 249.2304993 0.07 254.3144531 0.06 260.2624817 0.73 261.0805359 0.34 263.1288452 3.10 264.2675476 0.36 265.3370667 0.04 267.1848450 0.13 272.2383423 0.36 273.2333984 0.17 276.9607239 0.06 283.1443176 0.05 286.0729065 0.14 287.6917419 0.08 288.4043884 0.04 290.1289673 13.74 291.2133179 2.64 293.2498779 0.12 296.2594910 0.03 302.2183228 0.10 303.2506714 0.02 308.1932678 64.91 309.2588196 12.34 316.3858643 0.06 318.1576538 0.20 319.1693420 0.13 320.3605652 0.09 321.1697998 0.25 331.2044983 0.02 335.0406189 0.12 336.1048584 0.15 337.1016541 0.10 339.2006226 0.03 341.1571655 0.10 342.2993469 0.29 343.0682373 0.07 344.2818604 0.29 345.4025269 0.09 347.4662781 0.04 362.2420349 100.00 363.2039185 23.99 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1275.6005 Annotation Maesasaponin II Peak:m/z Relative Intensity 407.5999146 0.01 427.4020386 0.01 464.3928223 0.05 467.3145447 0.57 471.5467529 0.43 472.5913086 0.07 493.4815369 0.05 513.6746216 0.05 539.5185547 0.02 567.6374512 0.07 585.6366577 0.20 586.6964722 0.05 603.5238037 2.04 604.5769043 0.32 649.6854248 0.01 662.5500488 0.01 671.6556396 0.05 699.4233398 0.06 700.4363403 0.03 729.0256958 0.02 730.0994873 0.11 747.4946289 10.86 748.5953369 1.73 761.6193848 0.01 765.5038452 11.91 766.4965210 2.12 789.5390015 0.53 790.5626221 0.12 807.4658813 100.00 808.5562744 14.07 830.7958984 0.02 847.0445557 0.07 849.5853271 0.56 850.5447388 0.14 889.5983887 0.15 915.6503906 0.01 951.4241943 0.02 1113.5485840 0.08 1130.7724610 0.05 1132.3259280 0.17 1212.3060300 0.02 1214.6176760 0.02 1216.6188960 0.05 1237.4514160 0.04 1241.2982180 0.10 1245.5557860 0.02 1255.9271240 0.02 1258.3728030 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 522.1823 Annotation Herbicidin E Peak:m/z Relative Intensity 178.9569702 0.98 180.0556946 0.75 271.3086548 0.12 280.9264526 0.12 341.2250366 100.00 360.4688110 0.19 460.2845459 0.07 477.1923828 0.10 485.2284546 0.06 504.3030396 0.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1101.5112 Annotation Dubioside A Peak:m/z Relative Intensity 323.1329346 0.16 365.0788574 0.02 395.0303955 0.40 407.2453003 0.18 427.7709045 0.07 436.9774780 0.04 439.3467407 0.21 447.1672363 0.02 449.5493164 0.07 451.5998535 0.12 457.4958496 0.02 467.2131958 1.57 469.7561035 0.11 471.4299011 0.06 485.5836182 0.07 493.6795349 0.04 497.4225769 0.21 501.5342102 0.60 529.4157715 1.92 559.4583740 0.05 573.3049316 0.38 589.0306396 0.05 615.3950195 0.11 633.4495239 100.00 634.1096802 0.26 657.6926880 0.05 675.4142456 0.21 715.6293945 0.31 733.2658691 0.09 777.5269165 0.27 809.7429199 0.02 810.6975098 0.03 811.4433594 0.04 837.4381104 0.08 851.3603516 0.06 857.8647461 0.03 956.8032227 0.38 957.4110107 2.53 972.0286865 0.06 999.4705811 0.40 1025.5524900 0.03 1039.2600100 0.17 1050.1434330 0.02 1051.0865480 0.05 1056.7319340 0.06 1073.0249020 0.10 1079.2380370 0.10 1083.0006100 0.31 1083.6323240 0.21 1085.8759770 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 276.15 Annotation Val Gly Thr Peak:m/z Relative Intensity 87.87419128 0.11 90.02336884 0.23 100.145874 0.07 101.9781265 0.92 103.8201675 0.07 120.0122681 27.22 124.0645828 0.43 128.9952545 2.35 130.0500031 0.24 131.9792175 0.13 134.129364 0.16 138.0652161 0.08 150.0392151 0.10 150.727356 0.22 156.9562683 16.82 159.1495056 0.99 162.3575745 0.20 163.9118347 0.36 170.1658173 0.09 172.0798645 0.26 173.1123047 0.39 173.8210907 0.20 175.0195618 0.33 175.9559631 0.07 180.1848755 0.60 185.0466003 0.08 186.4822845 3.37 187.0964355 25.21 187.9811707 0.25 189.0902863 0.32 190.1174622 0.10 192.0083466 0.11 198.0923157 0.19 200.1130066 0.18 201.0559692 0.51 202.0117493 0.54 204.2599182 0.08 206.9698181 0.12 208.150116 0.19 210.4638977 0.09 213.7744141 0.25 215.0941162 0.27 216.9405212 0.33 218.057373 0.46 220.3341064 0.23 221.0409851 0.07 227.9955444 0.55 229.2635803 0.55 230.1905823 0.96 231.1323242 0.32 232.1288452 0.29 234.2092896 0.67 234.9079895 0.34 239.9536743 1.35 241.1125488 0.06 243.8116455 0.32 245.9307251 0.44 246.8612671 0.18 248.2041931 1.55 249.1112671 0.30 255.2090454 0.21 258.1516724 100.00 258.9642334 0.90 261.3251648 0.35 264.8952942 0.67 266.9804077 2.00 267.7967224 0.73 269.3640747 0.49 277.3276978 0.45 288.4943237 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1261.5839 Annotation Unknow Peak:m/z Relative Intensity 364.9610596 0.02 394.8024902 0.02 418.0706787 0.02 425.2074890 0.05 426.2756348 0.05 467.3074951 0.59 468.4103088 0.08 469.4301147 0.14 470.4549561 0.06 569.4433594 0.04 587.5120850 0.09 613.5753174 0.54 614.6408691 0.06 631.5155029 4.27 632.4808350 0.48 650.4509888 0.01 661.4011230 0.03 695.6532593 0.04 752.7776489 0.02 757.7420654 0.03 767.0871582 0.03 775.5374146 1.55 776.8413696 0.26 793.5101929 100.00 794.4946289 20.62 795.1762695 0.03 835.5859375 0.53 836.5664062 0.12 875.1170654 0.20 876.4812012 0.09 878.5128174 0.09 937.3564453 0.02 996.6215820 0.09 1038.3660890 0.04 1052.2039790 0.04 1069.3989260 0.04 1079.1557620 0.15 1098.7272950 0.11 1117.5928960 0.04 1118.4604490 0.03 1175.3110350 0.02 1199.7126460 0.13 1204.0520020 0.08 1216.9694820 0.01 1231.3007810 0.27 1232.3199460 0.02 1232.9658200 0.15 1237.7791750 0.08 1239.9147950 0.12 1243.6534420 0.23 1244.6422120 0.18 1247.2810060 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 660.207 Annotation Unknow Peak:m/z Relative Intensity 210.1812744 0.81 212.8164368 0.09 216.0795746 0.05 218.1616058 0.03 225.0104370 0.24 242.0773315 0.09 243.1407318 0.12 252.1575317 0.05 253.1491852 0.19 254.1362915 2.57 269.8831177 0.11 270.4838562 0.16 272.2057800 2.84 279.0604553 0.16 284.2976074 0.14 288.1636353 5.70 306.1572266 65.06 318.2917480 0.18 320.2421265 0.08 322.5870056 0.05 333.4083252 0.27 339.1909790 0.04 348.1459961 1.24 355.3670044 0.06 357.1276245 0.14 360.2174072 0.18 365.0929565 0.07 373.3068237 0.21 378.1578369 2.37 382.2519531 0.04 389.4163208 0.11 390.2653198 0.10 393.2125244 0.06 406.1705322 0.27 408.1831665 3.30 421.3699951 0.08 424.2525635 0.10 432.0687256 0.11 434.4293213 0.19 435.9822388 0.08 437.5550537 0.15 438.2719116 0.05 441.5233765 0.07 445.9392700 0.41 449.3186035 0.14 450.1513062 0.67 457.3416138 0.07 460.6030884 0.07 466.1810303 0.04 468.1818848 100.00 468.9600220 0.20 476.4307251 0.07 480.3424072 0.03 486.2846680 1.06 487.2505493 0.61 491.2592163 0.14 492.2631836 0.06 496.4610596 0.16 497.4670410 1.77 498.1480713 23.42 506.3843384 0.07 507.0677490 0.06 509.1978149 0.22 512.2304077 0.07 524.4539795 0.08 526.4770508 0.38 530.4315796 0.50 531.2741699 0.29 533.9522705 0.14 540.1116943 0.75 544.6790161 0.06 548.4352417 0.08 552.3966675 0.06 564.0922241 0.23 569.9575806 1.26 570.5728760 0.09 572.1734619 0.10 573.2009277 0.07 580.4280396 0.06 581.3562012 0.12 582.2744141 0.11 591.3420410 0.19 595.2747192 0.17 597.5112305 0.07 598.3931274 0.27 600.1773071 4.08 605.5879517 0.05 606.6087646 0.20 607.5270996 0.04 612.4012451 0.21 613.1596069 0.59 614.0861206 0.36 615.1425171 2.26 616.2315063 2.80 618.6483765 0.11 623.2557373 1.76 624.2277832 1.51 626.5805054 0.09 630.5375366 0.07 641.4024048 2.30 642.3280029 1.29 645.1310425 0.20 651.5766602 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 411.1232 Annotation Unknow Peak:m/z Relative Intensity 119.8859253 1.07 128.0243530 16.77 152.8909760 0.37 171.1020355 0.94 179.0162964 0.20 195.0665131 0.13 197.1232452 0.23 213.0851135 0.34 215.1567841 1.09 231.0071106 8.50 249.0663452 100.00 281.9686584 2.02 365.1651917 0.18 393.0440063 1.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 756.3772 Annotation 4''-Deisopentanoylcarbomycin A Peak:m/z Relative Intensity 224.9621735 0.04 226.9680786 0.16 242.3805542 0.02 252.0625458 0.14 260.0669556 0.04 264.2980957 0.02 266.2384644 0.13 282.1246643 0.10 293.2358704 0.03 306.5133667 0.04 312.4559937 0.11 316.1278381 0.04 318.9732361 0.04 323.4462280 0.03 328.9723511 0.20 337.4843140 0.06 342.3985596 0.10 351.1639404 0.02 360.2598877 0.08 368.3285522 0.12 370.4114380 0.03 380.2263794 0.06 381.3265381 2.85 385.7211914 0.08 390.5387573 0.09 394.6100464 0.03 399.2802124 0.14 407.2158203 0.02 412.4711914 2.24 413.3132324 21.05 413.9338379 0.04 425.2053223 0.57 425.8220825 0.04 426.5060425 0.14 436.4599609 0.04 439.4096069 1.24 452.4819336 0.03 457.2951050 13.25 457.9296875 0.06 466.2276611 0.04 469.7908325 0.12 470.4788208 0.39 471.1923218 0.03 474.3101807 0.01 480.5370483 0.03 484.4809570 0.03 486.5887451 0.04 489.3046875 0.08 490.9398193 0.02 497.2554321 0.03 507.3817139 0.55 514.3745117 0.22 516.4896240 0.02 524.4396362 1.32 525.3468628 0.15 542.3931885 0.37 551.4332275 3.83 554.8130493 0.01 568.4492188 1.06 569.2617798 0.29 576.4834595 0.03 577.5291138 0.34 579.1661987 0.05 580.2633057 0.07 581.4805298 0.02 583.4730225 0.95 586.5122681 0.29 593.7231445 0.07 595.2358398 2.18 611.2323608 0.06 613.4363403 0.02 622.2136230 0.08 623.4553833 0.02 627.3181763 0.44 628.4462280 0.02 640.6921387 0.10 641.5378418 0.22 650.6201172 0.04 652.0874023 0.08 660.2579956 0.06 667.7030640 0.04 668.6456909 0.09 680.4236450 0.93 684.5227661 0.16 687.5094604 0.02 694.4753418 1.20 695.5701294 0.06 706.1119385 0.03 707.3137207 0.18 710.1925659 0.09 712.5328369 100.00 713.4570923 0.03 714.0953369 0.08 719.3226929 0.08 720.3075562 0.10 723.9080811 0.18 724.6093140 0.30 725.6801147 0.05 726.6051636 0.08 731.1992798 0.14 737.1882935 0.09 738.4116211 6.97 746.8271484 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 611.1974 Annotation Durantoside III Peak:m/z Relative Intensity 179.0850220 0.15 180.0371094 0.16 190.8277740 0.52 192.1673889 0.11 192.7830353 0.03 195.1966553 2.05 198.2117767 0.17 199.2070312 0.05 202.1383820 0.07 202.8486938 0.04 204.0065002 0.07 205.1807556 0.15 208.1400757 1.87 210.0754852 0.23 223.0643768 17.00 225.0696259 2.96 226.4672699 0.04 227.1677704 0.12 228.3557434 0.04 237.1565857 0.10 240.1892700 0.11 241.4096832 0.14 251.1742249 0.24 252.1454468 0.10 253.1323090 0.06 255.2622223 0.08 256.4620972 0.25 265.1650085 0.56 267.1293030 0.20 270.4128418 0.16 280.0488281 0.13 282.2238159 0.20 283.6083374 0.06 295.2862549 0.37 296.2304993 0.08 299.2232971 0.21 300.4553223 0.15 309.5390015 0.07 320.4276733 0.15 323.3591919 0.06 327.1439819 0.71 329.2766113 0.21 339.3156128 1.16 340.2906494 0.22 341.0222778 0.08 344.3950195 0.14 353.3823853 0.06 356.2353516 2.96 357.1719360 1.61 358.0630493 0.45 361.2984009 0.21 368.9473877 0.07 370.5072021 0.12 384.9591064 0.08 387.3393555 0.53 392.1484375 0.05 399.4506226 0.12 401.1914062 1.75 403.2428589 0.17 405.4864502 0.23 409.6176147 0.10 410.5404053 0.11 411.3933716 0.19 413.3819580 0.23 414.5355225 0.12 417.2724609 0.08 419.3594360 0.06 424.4445190 0.22 425.1921387 0.14 430.5279541 0.23 431.4125366 0.03 433.6188354 0.05 435.4396362 0.37 436.5529785 0.39 437.2612915 0.34 443.1928101 0.10 449.0955200 100.00 449.7596436 0.26 454.3112183 0.05 455.5006714 0.08 461.3511963 0.76 465.2102051 0.33 472.1565552 0.08 479.4165649 0.33 480.4979248 0.28 481.1486816 0.37 491.2210693 1.64 492.1400146 0.35 499.2431641 0.13 505.4215698 0.19 510.6242676 0.09 516.9397583 0.13 519.0657959 0.05 521.0551147 0.30 531.5945435 0.07 535.4747314 6.60 536.4094849 1.37 540.4420776 0.38 546.5139160 0.13 551.0970459 4.52 563.2523804 0.41 564.2793579 2.62 565.3717041 1.48 566.5928955 0.15 567.4434204 0.79 572.0570068 0.58 573.1760864 0.24 575.3839111 0.72 578.5606079 0.05 579.9136353 0.44 581.4575195 1.00 588.2047729 0.31 592.4376221 0.79 593.2845459 0.21 594.4829102 0.04 601.4505005 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 728.3169 Annotation Cyclotheonamide C Peak:m/z Relative Intensity 212.7962189 0.13 227.4025421 0.08 245.0848999 0.18 250.0103607 0.03 257.0708618 0.46 281.3992004 0.13 285.1242981 0.27 301.0155945 1.28 313.0711670 0.20 319.3321533 0.09 326.9848633 0.20 329.1564941 0.18 329.9340820 0.10 345.9895630 0.29 346.9913025 0.16 355.0776978 0.05 355.9800415 0.19 357.0610352 0.75 364.1483765 1.15 365.1297607 0.87 378.9304810 0.10 383.1595459 0.12 391.0422363 1.88 392.0021362 0.72 398.2130127 0.08 399.9672852 1.72 401.0919800 3.32 403.4340820 0.20 408.1447754 0.39 419.6343994 0.04 422.2850952 0.13 425.3101807 0.05 443.3044434 0.24 444.6781006 0.07 465.1300049 1.22 469.4411011 0.11 474.2627563 0.64 477.3071289 0.28 490.0333252 0.41 490.9212036 0.11 492.1871338 0.53 492.9577637 0.49 494.3308716 0.06 503.0881348 0.43 512.2698975 0.10 521.0192871 0.16 530.4475708 0.28 534.3911743 0.08 536.9935913 0.17 547.1293335 2.00 550.9575195 0.22 554.5278320 0.38 555.2840576 1.14 562.1856079 0.09 563.4230347 0.09 564.0590210 5.31 565.1408081 11.00 576.5689697 0.41 582.1796265 1.70 582.9944458 0.37 586.0975952 0.11 589.3486938 0.10 591.5403442 0.18 593.5834961 0.11 629.5447388 0.51 646.5213623 0.13 648.0578003 0.21 683.9185181 0.37 685.5762939 0.51 687.1105347 0.07 691.5733643 0.15 692.2421875 0.10 693.2974243 0.14 696.7737427 0.30 697.4609375 0.18 698.3519287 0.13 699.4035645 0.47 704.0825195 0.18 705.5740356 100.00 706.4227905 0.71 707.0870972 0.47 707.7557983 0.32 708.5803833 0.28 709.4825439 0.41 710.2097168 1.17 711.0653076 3.15 720.4376221 0.27 763.5732422 0.52 764.5929565 0.12 781.5895386 3.59 782.4605103 0.48 941.3759155 0.09 942.2655640 0.08 943.5410767 0.72 944.3934937 0.12 985.0385132 0.16 985.6870117 0.49 986.5957642 0.07 1015.3359380 0.21 1129.5214840 0.48 1130.6148680 0.10 1249.4788820 0.18 1267.8077390 0.09 1411.5086670 1.98 1412.6148680 1.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 322.1057 Annotation S-Methyl GSH Peak:m/z Relative Intensity 102.0904160 0.01 115.9889221 0.49 127.1764908 0.01 129.9820251 0.11 131.0173035 0.01 132.8284302 0.02 143.9700012 3.69 145.8623199 0.03 151.2738647 0.03 157.8665771 0.27 159.1102905 0.03 161.0055847 0.56 164.5466919 0.05 168.8522491 0.02 175.9816132 20.24 187.0398712 0.05 192.9901733 100.00 204.7429504 0.04 215.1491699 0.50 215.9528503 0.01 219.0406799 0.01 226.1583252 0.04 233.0310669 16.99 235.1354370 0.01 259.1069946 0.82 263.6962891 0.02 277.0425415 0.02 278.0395813 0.02 281.3386230 0.05 286.2149048 1.07 290.0624390 0.20 304.1110840 5.02 305.1675720 0.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1163.9237 Annotation Unknow Peak:m/z Relative Intensity 330.2813416 0.35 336.3487854 0.96 353.4572754 0.16 365.2238464 1.06 404.2634277 0.34 414.5070190 0.38 422.2617188 0.21 424.3048401 0.43 426.3303833 0.17 426.9463196 0.31 427.5791931 0.51 428.6070557 0.76 444.3588257 1.71 461.2154236 0.25 464.3832092 0.55 472.6974487 1.04 479.2680664 0.95 481.3855591 1.78 482.9290466 0.14 531.5197754 0.37 535.5488281 0.40 543.4483643 3.20 544.4010010 1.60 545.4606323 0.48 550.0117188 1.24 560.9978027 0.62 562.1550293 0.54 563.1046143 0.64 564.4910278 0.44 565.3538208 0.18 581.6239014 0.70 591.0701904 1.01 592.3652344 0.39 595.2399902 0.94 617.0191650 0.90 631.7478638 0.26 652.7968140 0.75 654.3491211 0.36 655.4312744 0.79 672.8910522 0.10 688.7175903 1.26 690.3537598 0.66 694.8779297 0.56 699.8875122 0.32 700.7062988 0.21 710.2891846 0.83 712.8958740 0.82 713.9187622 0.14 725.8142090 0.44 730.6572266 0.47 734.5471191 0.50 737.3468018 0.43 741.7020264 0.21 745.5356445 0.29 751.8333740 0.23 762.4963379 1.14 763.5280762 0.35 764.6267090 0.30 769.4946899 2.11 770.6098633 0.43 773.3872681 0.50 787.9158936 0.20 793.5649414 0.15 809.7138672 0.16 814.8699341 0.16 819.7421875 0.16 822.4349365 0.24 825.5093994 0.45 837.4986572 0.17 846.7078857 1.84 847.7770996 1.80 848.8281250 0.41 852.9112549 0.51 855.0380859 1.24 857.5352783 2.42 858.7150879 0.83 859.7478027 0.14 873.7769775 0.70 875.8118896 0.24 891.3343506 0.45 892.1440430 0.41 892.7767334 2.82 893.5476074 0.62 896.8087158 0.33 905.0622559 1.20 908.9705811 0.81 917.5767822 0.31 918.7663574 0.21 919.7619629 0.41 923.3334961 1.38 924.7937012 0.57 926.1766357 0.18 927.4741211 1.22 943.1105957 6.36 943.9941406 3.76 944.9075928 0.62 946.1395264 1.56 963.4937744 1.98 971.7722168 2.16 973.4801025 1.03 976.7149658 0.23 981.8635254 0.48 982.5227051 0.81 983.4964600 0.61 984.6361084 0.23 985.4870605 1.60 989.5474854 35.83 990.6427002 19.11 991.5728760 3.84 992.5926514 0.21 994.6451416 3.92 995.6927490 0.77 999.9941406 1.61 1020.7492680 2.37 1021.5162350 2.08 1022.6408690 0.26 1025.7644040 1.84 1029.8801270 2.92 1030.7172850 1.22 1035.4693600 0.33 1036.2932130 1.08 1044.3670650 0.42 1045.2070310 0.46 1046.4504390 1.73 1049.7586670 5.71 1055.1030270 0.55 1055.8308110 1.31 1058.6676030 4.94 1059.2927250 3.88 1060.7524410 0.68 1065.2460940 2.80 1065.9248050 0.18 1067.2377930 0.66 1068.4962160 0.78 1071.5786130 2.09 1072.5146480 0.48 1077.4099120 1.05 1079.8217770 0.85 1083.0432130 2.76 1085.0966800 0.85 1087.2808840 1.81 1088.2951660 5.10 1088.9990230 8.30 1091.6025390 2.58 1093.8614500 9.67 1094.6197510 0.46 1095.2467040 0.43 1098.1428220 0.87 1099.6027830 0.35 1100.9375000 10.28 1101.7448730 1.85 1103.5480960 0.72 1106.7651370 1.05 1108.0295410 1.17 1111.0632320 1.04 1113.6562500 0.77 1115.1909180 6.72 1116.1013180 3.84 1117.6441650 0.81 1120.3452150 3.37 1121.5085450 5.55 1123.9204100 0.68 1125.2651370 8.20 1125.9364010 3.96 1126.7867430 1.72 1129.2696530 1.52 1131.8911130 2.06 1133.6469730 8.66 1134.4824220 13.82 1135.5390620 2.71 1140.7197270 11.71 1141.3669430 4.35 1143.1854250 0.29 1144.2224120 1.55 1150.1584470 7.38 1151.2941890 2.08 1152.4195560 1.29 1168.4802250 0.81 1174.3275150 0.73 1175.9255370 0.36 1179.5426030 1.55 1180.2266850 1.84 1186.5294190 1.78 1190.7172850 0.77 1191.9160160 1.21 1192.6611330 1.40 1193.5316160 0.70 1198.0838620 0.54 1206.9550780 0.77 1215.6711430 0.60 1216.2993160 1.65 1226.0754390 0.36 1228.7808840 0.89 1229.5523680 2.09 1236.1540530 1.59 1237.1685790 0.84 1242.7504880 2.84 1243.5925290 4.16 1244.5031740 2.23 1245.5236820 0.77 1246.4128420 0.34 1251.4562990 74.39 1252.4423830 37.84 1253.2646480 0.31 1259.7821040 0.82 1262.7825930 1.53 1264.3120120 0.58 1269.6627200 0.63 1276.8760990 0.47 1277.6860350 0.85 1278.8176270 0.16 1287.6791990 1.27 1288.4978030 0.95 1290.0173340 0.27 1294.4295650 0.29 1300.1210940 3.69 1301.2454830 0.79 1303.7009280 4.30 1304.6278080 3.52 1305.5616460 2.84 1306.6618650 0.44 1309.6333010 2.84 1315.7818600 1.22 1317.1134030 1.73 1318.0600590 2.65 1326.0620120 0.92 1329.7528080 1.12 1330.5341800 0.87 1333.7214360 1.65 1347.7449950 0.74 1352.9923100 2.01 1353.9713130 1.49 1362.1906740 3.37 1367.1795650 1.03 1371.7254640 1.36 1375.5800780 1.18 1376.9278560 0.65 1377.8420410 0.71 1382.8284910 3.21 1383.6523440 1.85 1388.9110110 1.73 1389.9641110 0.50 1393.8288570 2.63 1394.7269290 0.96 1395.7176510 1.07 1396.5163570 0.63 1397.2392580 0.97 1400.2352290 0.64 1401.2595210 0.70 1402.7119140 0.48 1409.6954350 2.72 1410.6772460 3.72 1411.5378420 2.47 1412.7553710 0.81 1415.4268800 0.48 1416.7050780 0.36 1418.9045410 1.38 1420.3784180 1.47 1432.7083740 1.22 1434.4486080 0.20 1442.9714360 0.50 1444.3870850 1.20 1445.7950440 1.68 1452.6909180 2.49 1456.1135250 14.31 1457.2567140 7.43 1460.7071530 3.12 1461.3353270 3.84 1466.1173100 5.19 1466.8920900 6.44 1474.5125730 33.05 1475.3118900 18.45 1475.9517820 2.79 1476.9838870 1.55 1477.9060060 2.30 1481.9307860 0.86 1482.6094970 0.12 1492.8391110 2.86 1494.0684810 0.87 1496.6229250 0.98 1499.8177490 1.03 1502.8184810 2.64 1503.5272220 3.88 1504.8859860 5.84 1505.9617920 7.15 1506.8875730 4.44 1510.3983150 1.64 1511.6187740 2.23 1515.3774410 0.50 1516.1683350 0.42 1517.0716550 0.73 1522.3369140 0.17 1524.1793210 12.75 1524.9628910 7.68 1525.8077390 2.23 1526.8052980 0.52 1534.4754640 0.90 1543.9124760 1.10 1544.8468020 0.39 1545.9614260 0.36 1573.4229740 0.67 1579.5328370 0.89 1581.4780270 2.09 1601.8370360 0.25 1603.9749760 1.17 1606.2537840 1.87 1607.3514400 1.66 1612.3377690 1.11 1613.1733400 1.15 1617.5958250 0.71 1623.2871090 0.31 1623.9412840 1.16 1624.9239500 1.65 1643.8265380 0.43 1645.1053470 0.26 1671.7888180 0.48 1675.1053470 0.14 1734.8094480 0.16 1744.1939700 0.51 1745.7395020 1.09 1746.7347410 0.32 1751.2056880 0.16 1759.3311770 1.51 1759.9338380 0.35 1802.1063230 0.17 1837.8267820 0.46 1844.7917480 0.29 1873.1046140 0.68 1925.7178960 0.79 1926.8522950 1.05 1927.6651610 0.43 1932.4674070 0.28 1943.8951420 1.77 1946.4847410 0.60 1959.1351320 0.69 1960.1365970 2.66 1961.1374510 1.83 1970.1033940 0.78 1970.8341060 1.48 1971.5231930 0.13 1972.3753660 1.66 1984.8231200 100.00 1987.8641360 0.49 1989.3560790 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 746.627 Annotation Unknow Peak:m/z Relative Intensity 223.2400970 0.03 225.1463013 0.07 227.1547241 0.81 228.2507324 0.16 240.3478546 0.20 244.0939941 0.04 248.1830139 0.18 258.6745300 0.05 266.1496887 0.08 267.6873169 0.14 276.2604980 0.08 288.0677490 0.03 295.1778564 0.06 308.2488403 0.08 315.1885986 0.03 324.1533813 0.19 325.2371216 0.36 328.0177002 0.09 333.2200012 0.10 334.4348145 0.03 335.4252319 0.03 336.3737793 0.03 337.3726501 0.14 340.8806458 0.22 349.2597046 0.65 355.1143799 1.75 356.2585449 0.38 357.8461304 0.08 363.6583252 0.92 364.3340149 0.46 365.2437134 0.08 367.3135986 0.07 368.1071167 0.13 372.3554688 1.30 373.3074951 0.14 384.2171631 0.15 393.5877075 0.20 399.7100830 0.98 400.9416504 0.18 404.6970825 0.90 409.1331787 0.20 412.2694702 0.22 413.1657104 3.99 414.2144775 0.92 415.3495483 0.20 420.3580322 0.38 422.4829102 0.05 423.3965454 0.98 428.7514038 1.01 429.7395020 0.24 431.4238281 0.46 436.8830566 0.66 437.5166626 4.36 438.3706665 0.06 439.3274536 0.06 443.0734253 0.53 443.7194824 0.18 450.0368652 0.57 451.2924805 0.14 453.2919922 0.16 455.7978516 0.12 456.4523926 0.07 457.1245117 0.04 464.5067139 0.93 469.5110474 0.27 470.3521729 0.27 471.3134155 3.64 472.7805176 5.72 473.3838501 1.52 474.6889648 0.19 478.0496216 3.08 478.9430542 1.19 480.2357788 0.07 485.4118652 0.12 486.9803467 38.04 487.9918823 2.16 489.3146973 0.26 490.8977051 0.56 492.0986328 0.03 497.4139404 0.05 502.3303223 0.31 503.6081543 0.19 519.0549927 0.11 519.9587402 0.15 521.9044800 0.24 526.3724976 0.12 527.6692505 0.06 528.8147583 0.07 535.4475098 1.65 543.9252319 0.21 551.5831299 0.04 555.1796875 0.14 556.2224731 0.10 561.3794556 0.06 568.8255005 0.24 569.4736938 0.24 570.2791138 0.37 572.9987793 0.43 573.6171265 0.22 574.5122681 0.07 579.1503296 0.23 580.4902344 0.33 581.1439209 0.32 585.2130127 0.06 590.2663574 0.29 598.2206421 0.11 601.0549927 0.30 606.3148804 0.23 607.8624878 0.12 611.4389038 0.10 613.7140503 0.07 615.4350586 0.10 618.4138184 0.64 619.6338501 0.10 621.7928467 0.11 626.0469360 0.12 628.5364380 0.05 629.4494629 0.11 630.4476929 0.10 638.5361328 0.13 644.2663574 0.23 644.9114380 0.11 647.6074219 0.17 648.2441406 0.05 657.0843506 0.80 658.0869751 0.31 659.5851440 0.09 665.4388428 0.76 666.0653687 2.04 669.8051758 0.05 671.7539673 79.62 672.6007690 1.72 673.7343140 0.54 674.9501953 0.83 676.4534302 0.38 677.2999878 0.11 678.9642334 0.13 684.5663452 0.09 691.6615601 0.17 692.5404663 0.03 697.3666992 1.95 698.2427368 0.85 699.6078491 0.09 700.9096680 0.15 701.5455322 0.03 703.1782837 0.39 706.7426758 0.89 708.3947144 0.04 709.6304321 0.73 710.5614624 0.03 713.1221313 0.28 714.4917603 0.17 715.2540894 0.31 716.4673462 0.04 720.7820435 25.21 721.8710938 0.41 723.5352173 0.10 724.8858032 0.28 726.5078735 1.11 727.3175659 0.25 728.3450317 0.34 729.4325562 1.22 730.5596313 0.38 731.1600952 0.22 731.8164673 0.04 733.2331543 0.12 738.6369019 0.14 746.6539917 0.21 751.6857300 0.07 757.8359985 1.41 763.3063965 0.85 764.2507935 0.24 779.8981323 0.22 787.1560669 2.00 788.0487061 0.61 790.5041504 0.09 792.0952148 0.11 797.2802124 0.10 799.3983765 0.13 800.0942383 0.16 800.7850952 0.07 807.2935791 0.32 808.6338501 0.09 809.3343506 0.08 811.6060791 0.15 815.4212036 0.14 822.1183472 0.07 825.4475708 9.30 826.5520020 4.66 827.6594849 0.81 828.3651123 0.04 832.7614136 0.76 836.7375488 1.47 838.4421997 6.56 839.2830200 3.80 840.1835327 0.03 841.1058960 0.17 845.6213989 0.06 854.9793091 0.10 856.1600342 0.03 859.5031128 0.63 868.8012085 0.11 869.8421021 0.38 871.7625122 0.57 873.6948853 0.83 874.5232544 0.08 875.4107056 0.30 876.0551147 0.04 879.1290894 0.10 885.9877930 0.11 891.3152466 0.13 900.5974121 1.28 901.6586304 1.04 903.2705688 0.52 911.5387573 0.05 913.3062134 0.07 914.6522827 0.11 915.3314819 0.21 916.7355957 0.07 920.6458130 0.68 921.4656372 0.79 926.6154785 0.04 937.6120605 0.04 941.4597168 0.08 947.3967896 0.15 954.5002441 0.60 955.6643066 0.86 956.6432495 0.09 958.2219849 3.33 959.3748169 0.76 960.9589844 0.18 963.2116089 0.04 966.6318359 0.02 972.5410767 19.35 973.5932617 8.67 974.5810547 2.42 975.5310669 0.38 977.4614258 0.10 994.4817505 0.07 995.5405273 0.26 997.8127441 0.94 998.8547974 0.80 1006.8707890 100.00 1007.8259280 19.03 1009.3974610 0.28 1010.1378780 0.14 1012.1010740 0.20 1014.4769900 0.03 1015.1748050 0.03 1016.7398070 0.09 1019.3801880 0.63 1032.3186040 0.06 1039.1196290 0.15 1040.4743650 0.13 1053.9904790 0.36 1055.0241700 0.11 1071.9532470 0.08 1080.3122560 10.14 1081.3741460 3.67 1082.8803710 0.21 1090.5231930 0.05 1092.6682130 0.07 1107.9498290 0.10 1134.9169920 0.07 1135.8480220 0.44 1136.9123540 0.23 1137.6691890 0.18 1144.5787350 0.87 1145.8425290 0.30 1157.1557620 0.11 1166.5556640 0.28 1184.4420170 0.15 1217.9862060 0.03 1218.7318120 0.05 1244.3927000 0.08 1315.5101320 0.04 1326.9002690 0.04 1340.6297610 0.12 1442.5013430 0.11 1557.0991210 0.14 1671.9976810 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 332.3154 Annotation Unknow Peak:m/z Relative Intensity 97.0205307 0.08 97.8937988 0.07 104.0185852 0.08 109.0968628 0.34 113.1386261 0.06 114.8045731 0.04 120.7571030 0.48 121.9892044 0.20 123.0250931 0.38 125.0885468 0.95 131.1253052 0.05 135.0860596 0.61 137.1130981 0.09 139.1745605 0.35 142.0312653 0.04 145.0589905 0.12 145.9354553 0.18 149.0411377 0.25 151.1737671 0.10 162.1302338 0.21 163.0492859 0.05 164.8507996 0.14 165.9805603 0.04 168.9934082 0.36 170.2236938 0.26 175.2783508 0.11 178.9306641 0.20 181.0434875 0.22 190.0431824 0.17 192.8496094 0.28 195.2844238 0.14 196.9794159 0.04 200.2112427 0.05 201.9740753 0.13 205.2085571 0.16 211.2533875 0.17 214.1130981 0.28 215.9044800 0.09 223.3610840 0.08 225.0711975 0.41 227.0852966 0.40 229.2555237 0.13 232.0518494 0.37 233.0933838 0.05 234.9786377 0.15 239.0653076 0.10 239.7839661 0.27 242.3457336 0.47 246.2529602 0.10 247.1035767 0.12 250.9418945 0.27 252.7162170 0.14 254.0537109 0.07 255.1436157 1.53 256.0703430 0.45 258.1228638 0.45 260.0103149 0.21 261.3318176 0.75 266.3793945 0.56 270.2210083 0.47 271.0297241 0.06 272.9437256 0.26 274.2672119 0.07 276.3749390 0.04 278.3050537 0.52 279.2707520 3.53 281.3406372 0.20 283.0950317 0.17 284.2085266 1.28 286.0214844 0.18 287.3417969 0.43 288.0657349 0.26 290.7243042 0.07 296.3338928 41.35 297.2758789 0.47 299.5563965 0.06 300.8107300 0.07 301.8082581 0.20 303.1623535 0.33 305.4039612 0.06 314.3125000 100.00 315.0839233 3.51 318.0752563 0.12 322.4970398 0.33 333.4047852 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 578.7716 Annotation Unknow Peak:m/z Relative Intensity 173.1096802 0.25 177.9838409 0.08 183.1587372 0.26 187.0678406 0.10 189.1209106 0.34 190.1253204 0.07 191.2877808 2.86 193.0769653 0.07 196.4649963 0.10 197.0923462 0.32 201.1171265 0.70 201.7525940 0.10 203.2316437 0.10 209.2010345 5.38 210.2485962 0.17 212.3241425 0.09 214.9485931 0.09 217.2072449 0.15 219.0269012 0.71 225.5609131 0.44 231.0337372 0.20 232.2779846 0.31 237.7925720 0.17 239.1018982 0.13 240.2609711 0.24 244.0231934 0.12 245.1070862 0.32 246.3539581 0.16 251.3879089 0.11 252.3821411 0.09 254.2908936 0.07 256.0784302 0.11 258.7597046 0.24 261.2305298 0.23 263.6364136 0.14 268.0362854 0.29 270.3361206 0.07 272.1280518 0.83 276.2864685 0.14 277.3436890 0.11 279.0440063 0.33 286.2308960 0.04 287.3453369 0.34 289.1296387 0.07 290.0875244 0.33 292.5307617 0.18 296.2248535 0.35 298.2324524 0.67 300.0044556 0.06 301.9893799 0.41 308.2004395 0.23 309.7110596 0.28 313.0558472 0.45 315.9121094 0.07 317.0341797 0.18 320.2927856 0.18 323.2934570 0.08 324.0040283 0.11 325.2364502 0.50 326.9086914 0.06 328.2535400 0.12 329.3464355 0.11 330.1955566 0.68 332.1930542 0.11 334.2288208 0.16 335.3845215 0.11 337.2999878 0.08 338.2028809 0.12 340.0841064 0.11 348.3225708 0.13 352.4038086 0.21 355.0618896 4.09 358.2313232 11.60 360.3258057 0.60 362.3355713 0.81 364.3162231 0.73 365.1342773 0.33 367.1207275 0.22 369.9519653 0.16 372.6546021 1.47 373.3500977 1.33 376.0586548 0.10 379.0488281 0.21 383.2651978 0.48 385.1284180 0.12 386.3065186 0.14 387.3580322 0.13 388.2500000 0.36 389.1041870 0.23 391.9972534 0.06 395.0835571 0.40 397.0606689 0.81 399.2719116 0.13 399.9508057 0.08 401.3041382 0.24 402.5057983 0.11 404.3497314 0.08 405.3571167 0.06 410.4358521 0.09 412.6753540 0.81 413.4342041 0.14 414.5970459 0.72 415.2913818 0.38 417.0408936 1.21 417.7731323 0.10 418.4583130 0.13 419.7849121 0.19 421.5441284 0.22 427.1972046 0.47 429.3405151 4.71 432.2602539 0.06 433.9096069 0.73 434.9335938 0.49 436.2756348 0.08 440.3282471 0.29 441.4648438 0.19 443.5117798 0.08 445.1893311 0.65 446.3206787 0.54 447.3679810 0.36 448.3121948 0.26 449.6354980 0.16 452.1105957 0.90 452.8253174 0.16 456.5995483 0.57 457.3413696 0.71 458.2844849 1.18 463.0571899 0.40 464.9765015 0.90 466.0729980 0.34 466.7739258 0.48 468.3489990 0.42 470.7468262 0.42 471.3558960 0.21 472.3160400 0.19 473.0273438 0.39 474.1356201 0.92 476.4755859 0.07 477.9542236 0.98 478.6259766 0.05 480.7149048 0.77 483.4471436 1.05 484.2106323 9.57 485.0504150 0.41 487.2675171 0.55 488.0819702 0.28 489.1516724 0.79 490.3089600 0.19 492.2350464 0.47 494.5916748 0.50 496.6895142 0.28 498.1755981 2.19 500.0186157 0.07 502.2335205 83.95 502.8989258 1.17 504.0529175 2.28 505.9255371 0.21 509.5361938 1.11 510.5165405 0.04 511.4883423 0.84 512.7384644 2.76 513.4238281 1.20 515.1144409 0.20 515.7332764 0.23 516.6058960 0.14 518.0159302 0.25 518.8402710 1.17 519.4861450 0.04 520.7041626 0.14 521.4082642 0.58 522.0831299 0.04 523.0009155 0.49 525.1602783 0.24 526.4368286 1.04 528.2835083 0.42 529.5597534 0.90 531.3502808 1.22 532.1831665 0.93 533.5349731 0.49 534.2226562 0.54 535.0707397 0.34 535.8300781 1.53 536.7463989 0.41 538.9978638 0.23 539.8454590 1.24 542.0792847 0.15 543.1406860 0.43 544.2965088 2.01 546.1031494 0.18 548.3609009 4.71 549.1970825 0.55 550.0828247 0.59 551.2933960 0.37 553.8693237 0.34 554.6903687 0.15 555.8491821 1.08 557.9683228 0.43 558.6664429 0.38 559.4563599 0.37 560.2377930 2.97 561.3823853 1.96 562.7902222 1.13 563.5073242 0.30 564.5894165 0.67 566.3674316 0.81 567.4280396 0.30 569.2451782 4.03 569.9896851 1.57 572.4696045 0.31 573.5618286 0.09 592.0973511 0.36 595.1796875 0.89 595.8735962 0.15 598.8438110 0.41 599.5454712 0.41 600.4434204 0.32 602.6542969 0.23 605.0288086 0.25 609.4849243 0.07 621.3035278 0.25 622.5743408 0.57 624.4772339 1.92 628.0488281 0.24 629.6708374 0.46 630.3751831 0.41 630.9814453 0.16 632.4006348 0.29 637.3230591 0.77 639.1951294 0.32 641.5900269 0.20 643.2601929 0.34 645.2247925 0.25 651.4474487 0.58 653.0704346 0.19 655.4281616 100.00 656.2553101 0.23 656.9138794 0.69 659.9448853 0.33 662.5974121 0.55 665.6153564 1.52 666.3108521 1.65 668.8347168 0.44 672.0158081 1.10 672.9436035 0.57 677.5011597 0.82 679.2679443 0.62 680.3464966 0.27 685.4301147 1.13 686.0865479 0.16 687.5363770 0.18 689.1607056 1.07 690.4248047 0.30 691.5635376 0.31 692.4962769 0.19 693.7027588 0.10 695.1009521 0.38 695.9481201 0.43 697.4928589 0.55 699.6362915 0.03 700.5607910 0.05 704.4779663 0.52 706.8083496 0.24 707.6823120 0.78 708.8115845 0.96 709.6312866 0.17 710.2882690 0.10 711.5065918 0.29 713.2868042 0.44 714.2581787 0.50 714.9126587 0.43 715.6231079 0.74 717.0472412 1.42 719.2621460 0.11 722.0247803 0.20 722.7697144 0.51 723.5687866 0.47 728.2702026 7.01 728.9282837 0.04 730.0424805 0.26 734.7848511 0.05 735.8068848 0.48 737.9277954 0.76 740.9870605 1.20 750.4274292 0.16 752.3645630 0.08 755.0446167 0.54 757.5422974 0.30 758.5813599 0.82 759.6959839 1.97 760.6343994 1.57 763.5162964 0.86 766.9990234 1.44 768.1304321 0.24 771.4612427 0.07 772.7285156 0.25 774.1817017 0.33 775.4854126 0.45 780.4872437 0.50 781.2459106 0.37 782.0894775 0.71 784.4064941 5.29 785.0839233 0.09 786.0560913 0.12 787.0182495 1.68 791.4630127 0.17 793.5076294 0.28 794.2680054 0.27 797.2045288 0.63 799.3379517 27.54 800.7129517 0.95 802.6204224 0.69 808.7244263 0.84 814.1215820 0.39 816.0933228 3.64 820.8538208 0.17 821.9729614 2.74 822.7056885 0.16 823.4874878 0.18 826.3417969 0.14 828.6138306 0.09 838.6716919 0.41 842.5126343 0.20 852.7665405 0.07 854.0139771 0.66 855.4281616 0.90 857.5025024 0.75 866.5924683 0.09 878.4705200 0.29 883.2505493 0.46 886.4403687 0.22 887.5876465 0.23 890.7119751 0.32 894.4365234 0.14 895.7572632 0.20 896.4700317 0.49 914.6054688 0.49 915.5092163 0.07 926.0298462 0.28 927.6242676 0.15 939.6035156 0.61 949.7810669 0.48 952.9882812 0.16 960.7678833 0.04 964.5513306 0.37 977.8582153 0.49 993.3192749 0.26 995.4043579 17.32 996.0939941 0.04 1005.1491700 0.16 1008.8552250 0.52 1011.6060180 0.26 1023.6232910 0.18 1031.7283940 0.06 1040.7321780 0.13 1064.5185550 0.10 1081.5991210 0.28 1150.3150630 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 502.1494 Annotation Unknow Peak:m/z Relative Intensity 145.9829407 0.29 159.9882812 0.55 167.0426331 0.07 177.0804138 0.36 179.0569458 0.77 185.3539124 0.05 203.9889832 0.06 210.2535706 0.68 226.3072510 0.16 228.1408386 0.24 231.0286407 0.14 242.2532501 0.04 254.0822449 3.10 259.2417603 0.27 260.1620178 0.23 272.1352234 5.64 274.1081238 0.13 285.5473938 0.10 288.1585083 2.19 300.4639893 0.46 306.1244507 100.00 326.9140625 0.31 331.3984680 0.07 338.2287292 0.08 341.9780579 0.56 353.4701843 0.05 354.4124756 0.16 366.6780396 0.21 386.2872620 0.17 395.1471252 0.07 409.9819031 0.10 417.1367798 0.10 427.3631287 0.06 455.9943542 0.43 457.5092468 0.07 458.4424133 0.34 467.8423767 0.64 470.1454163 0.08 472.3075867 0.10 474.0233459 0.42 484.0377502 1.06 485.3990173 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 632.73 Annotation Unknow Peak:m/z Relative Intensity 212.8060608 0.12 296.8256226 6.55 302.9486389 0.17 307.0123901 0.03 350.4277954 0.07 378.4951172 0.04 380.5994873 27.34 381.2583618 0.12 386.8047485 0.73 424.6977539 0.22 428.6867676 0.14 442.8859863 0.06 458.8720703 0.10 463.1495972 0.24 464.5004883 53.50 465.2079468 0.50 466.8103638 1.65 470.6212769 3.66 471.2683105 0.17 482.6820068 0.11 488.6818848 0.58 496.6895142 2.55 502.7625732 0.17 512.6898804 1.13 513.6562500 0.05 523.3091431 0.04 524.9992065 0.19 525.9989014 0.51 526.6853027 3.32 538.5222778 0.29 542.4457397 0.11 546.0302734 0.49 548.4701538 100.00 549.2579956 0.15 550.6329956 0.21 556.3992920 1.58 557.3746948 0.05 568.6041870 1.55 572.7029419 5.47 585.9705811 0.11 586.7191772 2.28 602.6960449 0.06 611.8329468 0.04 613.2322388 0.14 614.5463257 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 662.2081 Annotation Unknow Peak:m/z Relative Intensity 191.1139984 0.13 192.9918823 0.09 210.1177826 0.87 224.0944519 0.15 236.1034088 0.14 242.0895844 0.11 254.0343933 0.38 255.0073090 0.04 268.1578979 1.11 286.1660156 2.10 288.1855469 0.08 301.8829346 0.23 316.9647827 0.08 320.1120605 100.00 469.8101807 0.04 644.1578979 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1612 Annotation Unknow Peak:m/z Relative Intensity 167.0270081 0.04 178.8956909 0.14 180.1445770 0.04 182.0290833 1.11 197.0246429 5.03 206.9953003 0.53 211.0860901 0.16 217.0422363 0.05 239.1387482 1.10 246.9786835 0.04 254.1116638 0.06 267.2132874 0.03 269.3656616 0.43 272.2350464 0.10 272.9403076 0.04 280.3229370 0.02 283.1434326 0.03 299.1093140 0.52 300.1081543 0.09 306.1061401 0.10 307.2459717 0.17 308.2427063 0.06 311.9460449 0.16 328.7191162 0.05 332.3024902 0.09 339.1445312 0.06 341.1913452 0.16 343.1524658 100.00 343.7527466 0.27 345.1957397 0.31 349.3048096 0.07 350.2412720 0.19 357.2064819 0.08 359.2091064 6.47 360.2138062 0.15 370.6101685 0.10 371.3273926 0.16 373.3253174 0.04 374.3618774 0.11 378.4539185 0.05 379.1666870 0.16 384.1889648 0.03 385.2987061 0.11 388.9334717 0.34 392.2813721 0.11 402.4044189 0.14 413.1112061 0.06 414.9531860 0.05 416.0738525 0.09 417.4861450 0.10 420.2407837 0.12 421.3370972 0.10 434.6159668 0.24 440.5728149 0.03 444.8103027 0.57 445.4691772 0.11 447.1040039 0.11 460.0855103 0.05 461.5123901 0.20 467.4144897 0.06 485.2485352 0.04 488.3522339 0.35 489.4705811 0.16 490.5111084 0.03 493.2633667 0.05 499.4641724 0.04 500.2071533 0.06 504.2442017 5.19 504.8738403 53.49 505.7445068 0.51 506.7031860 0.71 507.5392456 0.37 514.8665161 0.38 519.4965210 0.03 520.2980957 0.14 521.2138672 0.06 532.5337524 0.94 533.3368530 0.86 534.7916870 0.09 541.9098511 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 986.4677 Annotation Cobinamide Peak:m/z Relative Intensity 298.2718811 0.19 311.2104492 0.08 313.9701538 0.11 318.3988647 0.08 337.6684875 0.03 355.3321228 0.91 360.5953674 0.09 370.5639038 0.08 373.1679382 0.03 381.3195496 0.55 399.3134460 2.47 413.3274536 2.21 417.4234924 0.04 425.5602417 0.13 439.3775940 0.03 453.4520569 0.16 457.3238525 1.47 463.1762085 0.12 466.4115601 0.10 483.1396179 0.03 484.3627014 0.33 492.0864258 0.30 494.4591370 0.03 509.1784058 0.07 510.4702148 0.14 524.4428711 3.48 528.2399292 0.92 541.2364502 0.06 542.4000244 0.95 546.3049316 0.06 550.4478760 0.27 561.1004639 0.09 568.3256836 4.90 569.1879883 0.24 580.3837891 0.68 581.5108643 0.11 586.4310303 1.61 589.3773193 0.06 595.2335205 0.20 599.5284424 0.08 602.2563477 0.17 604.2843628 0.07 612.4678955 0.12 622.5227051 0.05 625.1730347 0.25 636.3959961 0.21 638.3240356 0.35 641.6147461 0.21 643.3328247 0.36 646.2603149 0.18 653.4536133 0.18 662.4463501 0.04 664.4399414 0.09 666.0751343 0.07 667.4676514 0.07 675.2794189 0.56 679.2872314 0.07 680.6748047 0.24 682.2873535 0.24 685.5423584 0.72 691.4730225 0.11 693.4400635 0.31 694.2441406 0.21 700.0805664 0.17 701.4797363 0.28 708.1495972 0.22 709.5922241 0.17 710.4782104 0.09 712.5177002 3.46 716.5619507 0.07 719.4766235 1.37 722.5339966 0.14 737.5216064 1.47 738.6339722 0.44 742.4547729 0.04 743.2105713 0.09 745.4587402 0.38 748.4771118 0.26 751.4687500 1.63 752.4998779 0.08 753.7484131 0.07 756.4218750 7.59 757.0432129 0.10 763.3732300 0.93 771.2373047 0.04 781.4840088 2.62 782.4394531 0.14 789.5268555 0.11 791.3829346 0.16 795.3927002 0.61 796.4000244 0.17 803.6213379 0.11 804.7302246 0.46 805.7781982 0.12 807.8461914 0.09 809.4393311 0.30 813.5341797 1.05 823.4855957 3.24 825.4644775 1.60 836.4667969 0.38 839.6635742 0.36 841.5134277 0.09 843.0712891 0.03 848.4610596 0.49 849.4888916 0.45 850.4042969 0.04 857.4873047 1.83 862.4243164 3.26 863.5728760 0.48 864.9617920 0.09 866.7762451 0.93 867.4714355 4.36 868.6960449 0.43 869.5499268 0.13 870.5307617 0.12 871.2904053 0.04 878.5012207 0.04 880.4969482 21.91 881.1298828 0.16 885.5380859 0.45 887.0045166 0.69 888.4759521 1.45 889.4257812 0.26 892.6362305 0.51 895.6887207 0.03 898.5026855 7.26 906.4349365 11.19 907.5281982 0.21 910.5058594 0.94 912.1563721 0.19 924.5075684 54.31 932.4317627 4.21 936.7897949 0.05 942.4539795 100.00 943.1757812 0.17 950.5805664 2.94 951.4702148 0.40 954.4816895 0.41 955.3186035 0.16 956.2086182 0.34 963.5380859 0.14 964.2963867 0.27 968.4620361 42.33 969.3293457 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 351.1294 Annotation 2,3-Dimethyl-3-hydroxyglutaric acid Peak:m/z Relative Intensity 101.0665283 8.55 102.8981171 0.19 112.9796753 23.94 114.9037018 0.53 117.1026306 0.17 129.1218567 0.38 130.9711304 0.71 144.9146118 0.56 149.2077026 0.27 153.2886353 0.43 156.7904358 2.82 158.6563568 0.09 163.0083008 0.38 171.2003784 0.19 174.9505615 8.15 178.8808594 0.16 186.9789734 0.29 189.1731415 0.21 193.0435333 1.86 205.0742798 8.03 223.0735779 2.72 231.0323181 15.14 235.2016602 0.18 239.1293640 0.15 241.1257324 0.41 249.1513672 100.00 254.0386658 0.09 258.8257751 0.20 267.1394348 86.50 273.0614624 0.14 275.1261597 0.46 277.1823120 0.12 279.3219299 0.22 284.2271118 0.14 291.0488892 4.19 292.0616455 0.33 305.0935364 7.65 307.1402283 0.78 309.3724976 0.19 315.1941223 1.34 321.2623901 0.61 333.2402344 40.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 402.9168 Annotation Unknow Peak:m/z Relative Intensity 131.1477661 0.01 158.8567200 0.05 175.0474396 0.58 181.1339874 0.02 245.0700684 0.09 256.3058167 0.01 263.0708008 0.02 273.0663757 3.92 273.9250793 0.01 288.9262695 100.00 310.1365356 0.03 328.8978882 0.13 329.8989258 0.06 346.8988647 0.04 356.4552002 0.10 357.0776367 0.07 358.7992859 0.02 384.9529724 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 801.8835 Annotation Unknow Peak:m/z Relative Intensity 240.1880798 0.31 270.2061157 0.14 272.2230225 5.73 273.2103271 0.48 288.4013672 0.05 323.2453613 0.23 323.9802856 0.48 329.2109375 0.15 339.2670898 0.23 341.0762329 2.36 351.5739746 0.38 364.1376953 0.07 370.3906250 0.09 371.0025024 0.06 372.9062500 0.71 380.0461426 0.08 389.4015503 0.18 393.9758301 0.09 400.3627319 0.57 412.2352905 3.76 413.2980347 0.10 415.2434082 0.46 421.4527588 0.21 427.1237183 0.09 440.2444458 0.20 441.3569336 0.15 445.1686401 0.16 452.2075195 0.15 459.0384521 0.09 465.2420654 0.46 470.0261230 0.28 483.2708130 2.07 484.2052002 0.41 485.5908203 0.06 501.2575073 0.55 524.0150146 0.27 529.2337646 0.61 544.0581665 0.14 552.3917847 0.10 553.3641968 0.26 554.3381348 0.46 564.2194824 0.42 573.3352051 0.08 579.4498901 0.11 582.2667847 4.07 583.3230591 0.40 585.3371582 0.25 600.4428101 0.80 601.6777344 0.14 613.2003174 0.19 614.0452881 0.46 615.2806396 0.18 621.1739502 0.18 623.1400757 0.05 628.1466064 0.39 631.7482300 0.31 637.5039673 0.12 638.2328491 0.13 640.2577515 0.13 641.6459351 0.27 652.2957153 0.16 653.1788940 0.38 654.5289307 0.15 662.4437256 0.14 667.0563965 0.80 668.3399048 0.06 671.1774902 0.40 672.5327148 0.66 673.3196411 0.11 676.3589478 0.26 679.5571289 0.68 683.4713745 0.29 687.8704224 0.23 694.6074829 0.35 695.7477417 0.17 700.0974731 0.12 701.3363647 0.24 702.3406982 0.47 703.4296875 0.62 704.0581665 0.24 706.5194092 0.22 708.1660156 0.66 709.0315552 0.15 710.8824463 0.25 718.5858765 0.31 719.9423218 0.45 722.6273804 0.89 725.3122559 2.36 726.7909546 0.07 728.1963501 0.12 728.8895874 0.45 730.0958252 1.47 730.8922119 0.27 732.6437378 0.35 739.7199097 0.73 740.4546509 0.42 742.8818970 1.44 743.6019287 0.81 745.4644165 0.99 746.9532471 0.19 748.2538452 1.87 749.7581177 14.13 751.1434937 0.38 752.0452271 0.44 752.7391968 0.09 754.2377319 4.75 755.2277222 0.24 755.8763428 0.24 756.7051392 1.20 757.5910645 0.45 758.8875122 0.64 760.6253662 0.39 763.0046997 1.17 764.7787476 0.68 767.4172974 4.74 768.3667603 1.50 770.3698120 0.39 771.9584351 19.62 772.8255005 2.14 773.7820435 1.75 774.8699341 0.22 776.3839722 19.90 777.5014038 1.23 778.9064331 0.28 781.2463989 0.50 782.3938599 3.65 783.0040283 0.04 783.9201660 0.58 784.5606079 0.52 785.4396973 2.61 786.6256714 3.52 788.6472778 4.22 789.7545166 9.40 790.7145386 1.80 791.5800781 0.45 793.2041016 11.99 794.3728638 2.52 795.4446411 0.58 796.7339478 0.53 798.8413696 0.16 813.8709106 0.07 816.5496216 0.12 822.6777344 1.01 829.5924683 0.96 830.4666138 0.91 831.7539062 0.31 832.6099243 0.33 835.2544556 0.45 838.0899048 0.26 839.7155762 1.11 841.6068726 0.28 844.0560913 0.37 844.9442139 0.14 848.5922852 0.08 857.5172119 0.44 858.4683228 0.70 863.4363403 2.62 866.6791992 0.61 869.4396973 1.06 870.2658691 0.85 872.3928223 1.29 876.7624512 0.15 882.2644043 0.69 883.2315063 0.27 886.2030640 0.46 888.1840210 0.90 892.5190430 0.63 894.7127075 0.26 896.5485840 2.08 897.3112183 0.81 897.9596558 0.48 902.2365112 1.53 902.9973145 1.05 908.3474731 0.09 909.5097656 0.31 912.5825195 0.07 915.2983398 1.86 916.1047363 1.35 919.5291138 0.30 920.5370483 1.23 921.5556030 0.49 923.0714722 0.35 924.7653809 0.28 926.1499023 1.50 926.9500122 1.36 927.6289062 0.15 929.5276489 0.20 930.2255859 0.14 931.5531616 0.10 933.5246582 0.28 934.8010864 0.55 936.1584473 0.25 938.0080566 0.13 939.3188477 5.60 940.2844238 0.68 942.9509888 1.02 943.5757446 0.65 944.2136841 0.96 945.3308105 3.57 946.5055542 1.02 947.3163452 0.14 949.3883667 0.13 950.2383423 0.83 951.3297729 0.18 952.5296021 0.55 953.3203735 1.13 955.5197144 0.79 956.4541626 0.12 957.7922974 0.05 958.6240234 0.06 959.2983398 0.44 960.9309082 2.87 961.7083130 0.36 963.7451782 2.56 964.4687500 0.13 966.8037720 15.28 967.4936523 1.72 968.1430054 1.12 968.9741211 0.78 969.9636230 0.52 972.7077637 63.74 973.4036255 23.18 974.1596680 2.54 974.9854126 2.85 976.0166016 0.54 978.2221069 1.06 978.9033203 100.00 980.4126587 4.80 981.2687988 0.54 982.0410767 1.46 983.3574829 0.14 984.9580078 0.55 986.6533813 0.11 988.1291504 0.85 989.1950073 0.10 990.1325684 1.41 995.3501587 0.40 996.4545288 1.13 997.4082642 0.16 999.0874634 2.50 1000.1005860 0.41 1002.4555660 4.79 1003.3565060 0.43 1005.3582150 3.00 1007.5712890 0.65 1010.8701170 2.26 1011.4990230 1.89 1012.5823360 0.94 1014.2841190 1.55 1015.5718380 0.33 1016.2980350 0.13 1017.0625610 2.36 1018.0278320 0.20 1019.0932620 1.15 1019.7164920 0.41 1022.9540410 9.34 1023.9777830 1.15 1024.8350830 0.74 1025.5999760 0.10 1027.1472170 0.61 1028.6507570 46.71 1029.3060300 24.22 1030.1048580 1.09 1031.0059810 1.27 1032.5546880 0.70 1034.8891600 57.65 1036.0041500 2.09 1037.2329100 0.95 1038.2318120 1.65 1039.5162350 0.32 1040.9289550 0.11 1041.6806640 0.15 1043.2971190 0.53 1044.0734860 1.01 1045.6429440 0.24 1047.3011470 0.51 1049.9443360 0.24 1052.5546880 1.36 1053.3469240 0.34 1054.0809330 0.15 1057.6577150 0.77 1058.7359620 0.91 1064.0214840 0.09 1065.9536130 0.45 1066.6750490 0.19 1067.5775150 0.49 1068.6203610 0.66 1073.5623780 0.08 1077.9497070 0.20 1083.7697750 0.15 1088.7830810 0.38 1092.6385500 0.10 1093.7214360 0.36 1098.3045650 0.21 1100.4510500 0.19 1102.8740230 0.22 1104.2091060 0.45 1109.1555180 1.29 1117.6677250 0.49 1123.4088130 0.96 1126.2863770 0.15 1127.5135500 0.09 1129.1502690 0.07 1132.1528320 0.96 1132.7978520 2.89 1133.8723140 0.17 1134.6345210 0.67 1137.6999510 0.09 1143.3748780 0.09 1145.6435550 0.22 1149.9406740 0.90 1150.8283690 0.33 1151.6374510 1.67 1152.8896480 0.54 1157.7207030 0.34 1158.4941410 0.07 1159.5993650 0.23 1160.6333010 0.10 1163.8032230 0.15 1167.9433590 8.44 1168.7384030 3.72 1174.5017090 0.17 1181.3645020 0.04 1187.5534670 0.29 1188.6475830 0.31 1191.7958980 0.12 1196.3354490 0.35 1197.5771480 0.13 1202.2958980 0.40 1203.6064450 0.14 1206.8684080 0.39 1208.6141360 0.83 1214.8635250 0.25 1216.4761960 1.79 1217.5173340 2.92 1218.4550780 0.35 1221.7191160 0.50 1227.4753420 0.41 1229.5780030 0.18 1235.1429440 0.27 1238.6270750 0.12 1243.7342530 1.18 1244.5307620 0.93 1245.2503660 0.18 1249.3304440 0.38 1252.2202150 3.88 1253.1046140 2.90 1253.9906010 0.84 1254.7573240 0.11 1264.6695560 0.12 1267.8244630 0.36 1271.7207030 0.16 1273.6146240 0.65 1274.2946780 0.20 1277.5811770 0.12 1281.4687500 0.52 1284.9852290 0.10 1288.2513430 1.25 1289.1129150 0.38 1301.5091550 1.52 1302.1165770 1.38 1305.1367190 0.25 1309.9508060 0.20 1310.8665770 0.11 1318.6593020 0.31 1323.8863530 0.51 1329.0198970 0.20 1335.3551030 0.10 1336.4727780 0.39 1337.4095460 2.41 1343.5037840 0.76 1349.0784910 0.06 1357.8981930 0.50 1367.5330810 1.38 1372.8074950 0.49 1376.9494630 0.14 1381.3729250 0.20 1385.8302000 0.24 1399.5599370 0.43 1401.1207280 0.37 1405.6566160 0.47 1408.7329100 0.49 1414.3847660 0.30 1415.7789310 0.04 1416.7189940 0.33 1421.5518800 0.53 1422.4615480 0.21 1433.4045410 0.05 1440.7131350 0.50 1451.3077390 0.17 1452.1861570 0.38 1459.3464360 0.13 1460.8472900 0.09 1461.7247310 0.11 1468.4171140 0.31 1476.5863040 0.09 1486.6156010 0.13 1492.2623290 0.05 1499.8582760 0.50 1533.0531010 0.74 1540.7161870 0.10 1544.5235600 0.07 1550.6865230 0.06 1559.8441160 0.09 1568.4948730 0.28 1570.2076420 0.23 1586.6180420 0.20 1590.9747310 0.19 1599.9825440 0.18 1614.8165280 0.06 1616.7801510 0.05 1654.1970210 0.19 1665.2198490 0.31 1697.8937990 0.30 1701.9632570 0.45 1706.8107910 0.05 1714.6566160 0.20 1716.0675050 0.07 1734.8917240 0.18 1736.5418700 0.45 1746.0816650 0.34 1755.8449710 0.24 1783.5218510 0.10 1787.9289550 0.24 1802.1014400 0.07 1813.5274660 0.33 1826.6134030 0.35 1828.0217290 0.15 1844.9278560 0.14 1846.1218260 0.11 1858.8111570 0.21 1865.9118650 0.08 1867.6217040 0.19 1871.0690920 0.41 1874.6876220 0.32 1886.6145020 0.13 1923.7281490 0.16 1925.8210450 0.15 1927.9381100 0.09 1945.9666750 0.04 1996.5535890 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 417.13 Annotation Cebellin J Peak:m/z Relative Intensity 121.9362564 3.76 127.0536499 0.12 129.1030731 0.14 129.9437561 0.46 132.8943481 0.19 134.2252960 0.11 135.1207275 0.05 149.0265808 4.60 157.2204895 0.08 164.1384583 0.07 166.9867401 4.84 171.1109009 0.08 174.0550232 0.05 176.8424988 0.36 183.0145569 0.07 188.0471497 0.37 193.0882568 0.13 197.0590210 0.05 199.3343658 0.29 200.3705139 0.10 202.9613800 0.34 213.9943085 0.11 227.7999725 0.03 232.9727478 0.15 233.8894043 0.44 240.1109009 0.03 242.3725891 0.13 243.1356812 0.04 244.2463074 0.41 245.2099609 1.50 246.2442322 1.76 247.1664734 0.04 248.8409424 0.13 251.0244141 100.00 252.1615295 0.25 254.0405273 0.30 255.0744934 0.13 260.2807312 0.05 265.8770752 0.18 270.1661987 0.15 280.3057861 0.06 285.0629272 0.05 286.2130127 0.18 288.1086121 14.49 293.2572021 0.14 295.3928223 0.11 299.1313171 0.22 302.2469482 0.04 303.6746216 0.11 304.3974304 0.04 307.5400085 0.12 309.1833496 0.17 313.1564331 0.15 314.7718811 0.19 327.2050171 0.58 328.2703247 0.14 329.1654053 0.16 330.1216125 0.10 335.9703369 0.10 339.3916626 0.05 342.1462402 0.36 343.2542725 0.31 349.6743469 0.15 353.3235474 0.17 354.5766602 0.08 356.2062683 0.09 357.1437073 0.11 357.8594666 0.05 367.2829895 0.04 369.1860657 0.65 370.3522034 0.48 371.1996155 0.33 375.3885803 0.24 378.1500854 0.75 381.2222900 0.29 389.3888855 0.63 390.2422791 0.10 397.3025818 0.29 398.2174988 1.16 399.1828918 1.40 400.5709229 0.18 405.6252747 0.37 407.2301941 0.22 408.2294312 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.1187 Annotation Junipediol B 8-glucoside Peak:m/z Relative Intensity 113.0971985 0.34 117.0534744 0.61 119.0640259 0.72 129.0723267 0.68 129.9079742 0.95 131.0823822 6.98 134.7598572 0.08 143.0967102 0.35 149.0288849 100.00 150.8337708 0.11 160.9318542 0.71 165.3085327 0.63 177.2332764 0.20 178.0016174 0.31 186.2224121 0.68 194.3292999 0.48 195.0401154 0.43 199.1379089 0.12 207.0888367 8.80 225.1768188 0.14 233.4691772 0.31 251.3839417 0.24 253.9642639 0.43 296.0627747 0.19 297.0798645 0.58 309.0322266 0.12 311.0089417 78.81 313.2533569 1.36 319.9185181 0.49 328.6677856 0.20 338.4358215 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 635.6779 Annotation Unknow Peak:m/z Relative Intensity 180.0744476 1.03 181.0684814 0.11 183.2800751 0.04 185.3529358 0.05 187.2741241 0.06 211.1586304 0.11 215.0002747 0.04 221.2190704 0.06 228.1830292 0.30 229.1687012 0.06 230.9294586 0.04 254.7633362 0.02 255.4002228 0.02 265.1114502 0.08 277.2344666 0.02 279.2770386 1.93 279.9272461 0.26 304.7706909 0.03 309.3642578 0.11 310.1986694 0.11 311.0900879 0.08 312.9412231 0.14 324.6030273 0.03 326.3628540 0.84 327.2953491 0.15 333.4554138 0.23 335.4338379 0.05 338.2871094 0.13 340.9244995 0.14 342.8929443 0.03 344.3635864 0.07 347.2642212 0.18 353.3317871 0.04 356.3992310 0.11 361.3312378 0.04 363.2421265 0.05 369.0526733 0.42 370.2119751 0.64 371.5410156 0.05 377.6834106 0.15 382.3175659 0.05 390.6448364 0.04 395.6903076 0.07 403.4345703 0.17 404.2495117 0.19 405.2263794 0.05 410.1212769 0.23 412.2827148 1.42 412.9018555 0.30 413.8776855 0.01 418.9172363 1.53 419.9630737 0.19 420.9707642 0.25 421.8940430 0.06 425.9957275 0.21 427.3816528 0.05 435.5355835 2.36 436.4587402 0.14 437.3127441 0.14 438.5890503 0.11 439.1930542 0.11 441.3945923 0.69 444.5900879 0.13 447.3728638 0.06 453.2354736 0.06 454.4730835 0.03 455.0784302 0.11 456.7300415 0.06 457.8771973 0.04 459.5950317 0.02 460.8411865 0.58 461.5729980 0.85 462.4655151 0.04 464.0974731 0.14 466.2822266 0.36 466.9398804 0.02 467.7617798 0.14 469.8286743 1.46 470.5032959 0.55 473.2947998 0.14 475.4901123 4.75 476.4856567 0.21 479.0451050 0.33 480.3502197 0.04 482.8480225 0.04 483.6066284 0.08 485.1497803 0.22 487.5498047 0.09 493.3309937 0.41 494.7525024 0.10 502.9537354 0.11 504.4080200 0.15 505.3217163 0.05 507.6447144 0.07 511.1972656 0.06 512.2734985 0.09 514.8598633 0.13 517.5073853 0.27 519.1502686 0.19 519.8703003 0.06 522.5810547 0.04 523.9701538 0.28 525.0371704 0.06 526.1491089 0.07 528.0166626 0.07 529.7416382 0.02 530.5537720 0.04 532.9989014 6.96 533.9285889 1.07 534.9460449 0.03 537.3533325 0.05 538.2853394 0.09 539.8916016 0.04 543.2312622 6.41 544.1187134 0.40 545.3241577 0.20 546.4445801 0.16 551.5527954 0.05 553.3209839 0.04 553.9526978 0.13 559.0367432 0.12 561.2835083 0.04 562.8316650 0.14 564.0161743 0.25 566.0969849 0.51 566.8591309 1.04 567.9063721 0.37 568.7990112 0.21 570.1387329 1.23 572.9661255 0.04 575.0894165 4.05 576.3408813 12.79 577.5231934 0.13 578.3303833 0.15 579.1565552 0.08 581.3626099 0.30 582.4938354 6.17 583.5999146 2.51 584.4147339 0.68 585.1721802 0.37 585.8788452 0.02 586.5846558 0.02 587.8863525 0.16 588.9298706 0.07 592.6530762 0.26 594.1414795 1.02 594.9815063 0.14 596.7725830 0.05 597.9868774 0.81 600.0118408 0.05 601.0232544 0.03 603.1979370 7.72 604.4098511 0.12 606.0704346 0.20 607.2661743 0.03 609.2770386 0.09 610.0191040 0.43 611.8706055 14.72 612.6251831 5.76 613.9756470 0.30 615.2849121 0.43 616.1149902 0.42 617.0500488 0.10 618.0448608 0.41 619.3576660 0.68 621.0884399 0.09 622.2827759 0.09 623.9867554 15.37 625.2361450 1.83 626.5736694 0.35 627.2634888 0.81 628.6315308 0.20 630.4312744 0.20 639.7357788 0.10 640.4251099 0.06 642.5631714 0.11 644.8666382 0.15 646.3269043 0.04 648.3818359 0.33 649.2573242 0.17 651.5853882 0.05 653.6805420 1.84 654.4869385 0.16 657.2404785 0.03 658.5339355 0.17 660.3020630 0.02 662.6205444 13.44 663.5527344 0.63 664.5413818 0.51 665.5289307 0.22 666.3829956 0.18 668.7322388 0.09 670.1624756 0.19 677.9917603 0.06 679.7238770 0.15 682.1864624 0.42 683.5015259 13.46 684.4993286 4.65 685.3264771 0.51 692.6887817 0.13 693.5603638 0.03 697.8162231 0.04 703.5930786 0.03 711.6744385 0.08 712.7214966 0.20 716.0721436 0.23 718.0842285 0.32 718.7329712 0.20 721.0783081 0.31 721.8059082 0.43 722.5362549 0.11 723.5402222 0.05 726.7946167 0.96 727.6223755 0.74 728.3001709 0.02 729.7959595 0.11 736.2545776 6.20 737.4917603 0.63 739.4785767 5.66 740.5505371 1.05 741.4866943 0.26 746.3118286 0.10 748.4658813 0.19 751.3674927 0.15 752.5208130 0.56 753.1795044 0.04 754.5605469 1.45 755.8389893 0.27 757.2014160 0.16 760.8832397 0.10 765.4366455 0.05 776.6820679 0.08 778.2331543 0.06 781.5946655 0.30 784.2804565 0.09 788.7694702 0.05 789.8087158 0.09 792.2534790 0.10 796.7791138 0.10 800.0104370 0.07 805.3793945 2.37 806.1788330 0.03 807.6218872 0.43 809.3109741 0.09 811.7760620 0.06 812.6094360 0.07 814.2985229 29.77 815.1322632 3.43 816.3461304 0.10 821.7915039 0.10 823.5281982 3.72 824.5626221 1.38 825.5298462 0.11 827.6978149 0.02 830.7908325 0.87 831.7512207 0.26 833.1567993 0.09 835.5780640 0.05 836.7070923 0.27 837.7152710 0.61 838.4719849 0.29 840.2103882 0.52 841.5655518 1.15 842.6397095 0.68 845.3237915 0.22 845.9485474 0.70 846.5631714 0.86 847.1756592 0.32 848.2094727 0.09 850.6127319 0.13 852.6948242 0.08 853.4306030 0.07 854.8418579 3.35 856.0403442 0.17 859.8207397 0.24 860.4547729 0.19 861.7797241 0.04 863.8635254 100.00 865.3713379 0.22 866.1015015 0.13 869.3747559 0.35 870.4562378 0.08 871.5599976 0.27 874.6751099 0.02 879.6909180 0.15 881.1641235 0.21 882.5454102 0.06 884.6893921 0.05 887.9106445 0.15 888.8027954 0.15 891.6821289 0.03 896.5095215 0.11 897.4763184 0.13 898.8119507 0.02 903.6923218 0.21 904.4865723 0.09 907.5703125 0.02 920.5886230 0.23 921.4331055 0.02 922.0551147 0.04 923.7575073 0.15 938.5789185 4.02 939.6250000 1.08 940.7209473 0.54 943.0617065 0.13 949.5440063 1.22 950.2604370 0.43 951.8203125 0.02 956.7448730 0.96 957.6631470 0.69 959.6577759 0.02 966.6332397 0.09 967.4084473 0.02 969.6996460 0.04 976.6083984 0.05 987.9013672 0.07 995.4487915 0.05 996.2042847 0.11 998.7594604 0.12 1006.6945190 0.06 1013.6995240 0.19 1019.5104980 0.02 1028.5312500 0.02 1034.7994380 0.10 1036.7064210 0.07 1051.6679690 0.16 1052.8181150 0.06 1059.8149410 0.07 1064.4719240 1.01 1065.7199710 0.87 1066.5212400 0.07 1069.9594730 0.08 1080.1666260 0.06 1083.0430910 0.10 1092.6680910 0.02 1095.3298340 0.14 1105.4925540 0.14 1108.8750000 0.03 1113.4797360 0.04 1119.6176760 0.06 1130.7293700 0.13 1131.8835450 0.05 1133.5048830 0.14 1148.5979000 0.03 1149.4792480 0.02 1150.1981200 0.05 1151.7071530 0.30 1152.6513670 0.16 1153.8808590 0.08 1161.6447750 0.15 1166.5354000 0.04 1167.1472170 0.02 1168.6712650 0.18 1195.4136960 0.05 1222.9949950 0.03 1224.0782470 0.07 1260.7596440 0.06 1263.2032470 0.06 1263.9039310 0.06 1319.9940190 0.09 1401.1292720 0.13 1488.1546630 0.04 1488.8840330 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5967 Annotation Unknow Peak:m/z Relative Intensity 391.7546082 0.04 394.8846130 0.01 405.5087891 0.01 423.0225830 0.06 425.1804810 0.04 426.4436035 0.02 440.6259766 0.12 441.5847778 0.03 443.7447510 0.03 449.4198608 0.11 467.2794800 0.54 468.3880310 0.06 487.4367065 1.17 488.5371399 0.13 501.3917236 0.02 511.3859558 0.02 529.4591064 0.02 584.3911743 0.01 619.0985107 0.02 631.5877686 0.28 632.7045898 0.05 646.6791992 0.01 647.8212891 0.04 649.4853516 3.83 650.5118408 0.92 651.1173096 0.01 654.8023682 0.01 664.9875488 0.01 691.4465332 0.09 745.8004150 0.04 757.6254883 0.06 758.4370117 0.01 775.8147583 0.02 793.5501709 0.74 794.5267334 0.14 809.5313721 0.02 811.4754028 100.00 812.5012207 18.56 813.1811523 0.08 825.6651611 0.07 853.4611816 1.04 854.5512695 0.11 877.9919434 0.07 893.5115967 0.18 894.5898438 0.01 895.4001465 0.03 922.7387695 0.03 927.5935059 0.01 937.3330078 0.03 955.8262939 0.10 956.6777344 0.05 969.6735840 0.02 1033.1517330 0.06 1049.2431640 0.24 1097.5102540 0.02 1117.2666020 0.04 1135.3892820 0.12 1136.4826660 0.06 1177.9367680 0.02 1196.7697750 0.09 1218.8256840 0.03 1231.0036620 0.04 1235.6794430 0.04 1245.8281250 0.07 1259.8481450 0.10 1261.9768070 0.10 1262.7042240 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1429.626 Annotation Unknow Peak:m/z Relative Intensity 467.1831055 0.60 469.7863464 0.51 470.4138489 0.05 569.6214600 0.06 577.5408936 0.12 581.6085205 0.10 597.7214966 0.05 613.4781494 0.96 614.6270752 0.16 631.6522827 0.53 649.1575317 0.11 655.3862305 0.32 656.3048706 0.05 665.0554199 0.08 667.7977295 0.24 673.3928223 0.13 675.7132568 0.01 677.6354980 0.02 693.4553223 0.12 695.5905762 0.09 721.4931641 0.40 739.4858398 2.29 757.4540405 0.05 775.5832520 0.88 781.4801025 0.65 791.5928955 0.06 793.6310425 0.05 799.2557373 0.46 800.7155151 0.02 817.4783936 3.42 818.3056641 0.07 823.2249756 0.06 835.5116577 2.40 836.6458130 0.04 841.4729004 0.20 859.4815674 3.67 860.2257080 0.04 877.4034424 10.19 878.3705444 0.65 901.5178223 5.16 902.4802246 0.08 919.4210205 35.06 920.4771729 0.91 961.4281006 100.00 962.3990479 4.17 1001.9062500 0.12 1003.4714360 0.18 1043.4003910 0.20 1081.4206540 0.08 1105.7047120 0.07 1165.8491210 0.34 1285.3602290 0.03 1370.0119630 0.06 1387.7220460 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 490.1753 Annotation Unknow Peak:m/z Relative Intensity 147.9270782 100.00 157.7312927 0.02 162.1734924 0.04 163.0033264 0.25 204.3862915 0.05 240.2203522 0.07 260.2218933 0.08 269.2775879 0.09 270.8406372 0.08 271.9167480 0.02 273.3816528 0.11 288.9697266 0.39 301.0410156 0.04 310.1398315 0.56 321.3070374 0.05 324.8620605 0.44 325.5112305 0.02 327.0088196 0.08 327.7642822 0.27 339.0570679 0.07 342.7113342 0.30 348.7479553 0.06 357.6311646 0.12 360.0151367 0.20 361.2624817 0.26 377.8605347 0.09 382.2040405 0.05 383.3389587 0.12 400.1262512 0.11 415.0559387 0.07 429.2407532 0.11 443.9581909 0.13 459.3961792 0.16 471.3956604 0.44 472.0860291 1.37 473.1792603 0.12 480.4178772 0.05 482.0343323 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 218.1 Annotation Pantothenic acid Peak:m/z Relative Intensity 70.9091492 0.39 87.8805618 100.00 88.5951386 0.08 116.4045868 0.15 133.9160309 0.28 140.0827179 0.08 145.9999847 12.43 161.8035583 0.09 174.0284271 0.51 180.0558929 0.60 189.9850922 0.11 200.0246735 0.11 202.9543915 0.33 221.0023346 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 447.1142 Annotation Aralidioside Peak:m/z Relative Intensity 139.0122070 0.52 148.9525299 0.12 153.0530853 0.78 157.0399780 0.51 167.0561371 0.04 167.9879761 0.30 171.0535126 0.84 175.0042114 0.15 179.6989288 0.24 181.9615479 0.21 183.1589966 3.89 188.8708801 0.05 197.0877228 8.89 206.3033905 0.05 227.3100586 0.07 231.0987701 3.04 239.2397461 1.62 242.0357666 0.62 249.0711365 40.76 253.4065552 0.11 256.0704041 0.46 257.1741333 30.96 267.1228333 22.05 271.1942139 5.41 285.1503296 4.15 290.7530518 0.08 297.2625122 0.08 299.1804504 1.17 311.3565063 0.03 315.1119385 0.10 316.2769775 0.05 318.1292114 0.13 319.1391296 0.05 327.1094360 0.04 331.6312866 0.13 332.4294434 0.10 339.2059326 2.11 351.3506165 0.24 353.4096680 0.10 355.4406738 0.07 357.2025146 0.53 369.2247314 0.41 371.1848755 0.93 385.1525574 3.25 385.7567749 0.03 387.1708679 10.60 389.3814087 0.26 397.2752991 0.34 401.1125183 0.40 402.1692200 0.10 403.2503357 0.83 411.2605896 0.15 415.1581116 43.16 415.7602844 0.16 417.3285828 0.17 429.2015991 100.00 432.1204834 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 311.22 Annotation Neobritannilactone A Peak:m/z Relative Intensity 94.9173584 0.04 96.9631882 0.04 98.7581329 0.08 106.7054443 0.06 111.0121613 0.32 114.8793488 0.08 116.9403534 0.03 119.2621231 0.05 120.9545593 0.08 123.1381454 0.14 125.0679779 0.06 126.9258423 0.07 129.0549774 0.18 131.0234680 0.10 134.9619751 0.15 137.1184387 0.22 138.8750153 0.11 140.8150482 0.05 142.8563232 0.13 147.0723267 0.10 148.8960266 0.43 151.2493591 0.23 152.9078674 0.27 154.9226074 0.18 157.1298218 0.06 160.9146729 0.26 163.1105957 0.02 165.1624451 0.04 166.9117737 0.28 169.0835266 0.34 170.8773956 0.12 173.1722565 0.13 175.0417023 0.33 176.9336853 0.03 179.2339478 0.08 180.2242584 0.05 181.2950439 0.28 183.0756836 0.13 187.1101227 0.41 189.0897522 0.16 189.9891052 0.09 193.1323547 0.18 195.2034607 0.44 196.9679871 0.34 199.0420837 0.06 201.1126862 0.10 205.1392212 0.29 206.9440918 0.12 208.9024353 0.18 211.0764465 0.50 213.0845642 0.22 215.2597046 0.04 221.2397766 0.10 223.0978699 0.54 225.0142517 0.55 227.0682068 0.40 229.3234558 0.16 230.3210144 0.11 235.2407227 0.02 237.0099792 22.53 239.1015015 0.40 240.0966797 0.03 243.1636353 0.08 244.2165222 0.07 245.2120972 0.11 246.2772827 0.05 247.1131897 0.44 251.1224365 1.01 252.5610046 0.10 253.1900635 0.97 255.0975342 32.66 257.3966064 0.36 261.0977173 0.07 265.2496643 1.27 266.1976013 0.10 267.3446045 0.15 268.9993286 0.33 270.1585999 0.27 275.1761475 2.62 279.8316650 0.07 283.2520447 0.80 283.9207764 0.08 293.0628662 100.00 293.7541504 1.18 302.0568848 0.37 319.1731567 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 799.1119 Annotation Unknow Peak:m/z Relative Intensity 235.2420959 0.18 239.9347382 2.80 243.9281769 0.08 253.5174103 0.24 255.4056091 0.43 261.3003845 0.11 262.7821960 2.80 265.2166138 0.13 267.3961792 0.34 275.2533264 8.41 275.8972168 2.34 280.0125427 0.09 282.0618286 0.08 294.8566589 0.20 306.2593384 3.06 307.8600464 0.47 311.3955688 100.00 312.3570251 5.46 313.0171204 1.27 320.3177795 0.27 324.3479919 0.42 325.3505859 0.28 334.2777710 0.28 335.2355957 0.38 339.9953003 0.26 341.1928101 0.14 351.4292603 0.41 353.4958496 0.22 359.7641296 0.23 377.3869629 0.21 379.0205078 0.05 388.2736816 0.21 389.4043579 0.55 390.6312256 0.15 403.5290527 1.28 410.1749268 0.46 411.9816895 0.12 414.1930542 0.15 415.7693481 0.08 419.0353394 0.27 419.7298584 0.16 422.5825195 0.07 423.5320435 0.19 438.3930664 0.25 444.1102905 0.62 453.6991577 0.58 454.3922729 0.68 458.3407593 0.13 464.2918701 0.37 465.3153687 0.28 467.5128784 1.13 470.4053345 0.16 471.7192383 0.48 477.1021729 0.93 478.6129761 0.10 486.4301758 0.27 487.4623413 0.36 492.3799438 0.16 498.4981079 0.74 499.6502075 0.14 503.1356812 2.90 509.6903687 0.17 510.8959961 0.62 517.1046143 0.37 520.2011108 0.09 522.3722534 0.30 523.5112915 0.33 524.4337769 1.09 525.7336426 0.34 526.7003174 1.03 528.6367188 0.21 533.2359009 0.53 539.0072632 0.58 549.4099121 0.08 550.4559937 0.38 553.3076782 0.65 555.2998047 0.71 562.4730835 0.48 564.3722534 0.61 566.6000977 1.55 567.7962646 0.23 568.4375000 0.11 573.6423950 0.60 575.0143433 1.17 576.2273560 0.57 579.7741089 1.01 581.0722656 0.59 582.4528198 0.15 583.4142456 0.70 588.0508423 1.66 589.1444702 2.24 595.1420288 0.19 601.0449829 0.77 602.6170044 0.44 605.4552612 0.20 606.8841553 0.05 607.7145996 1.35 608.5103760 0.61 611.9874268 0.14 615.3517456 1.13 621.1598511 0.52 621.9159546 0.64 624.1459351 47.63 625.2151489 8.32 627.0134888 0.75 628.4916992 0.14 630.5586548 0.10 632.4426880 0.26 634.4277344 0.46 636.3550415 0.49 637.3748169 0.18 639.1359253 0.37 640.9311523 0.34 644.0225220 0.11 646.2237549 0.37 648.6174927 0.38 650.5219727 2.02 655.5900269 0.89 657.5324097 0.54 659.1248169 0.10 663.2064209 3.55 663.9033203 0.30 665.5606689 0.69 666.3551636 1.15 667.4683228 0.31 671.5720825 0.20 673.5844727 2.89 674.2579346 2.10 678.2077637 0.20 680.6592407 0.94 682.6021118 0.37 683.5574341 0.25 688.0791626 0.94 693.7012329 1.72 694.4338989 1.49 698.4612427 0.35 699.9745483 1.38 700.6265869 0.26 704.1527710 0.30 706.7930908 0.18 707.6254272 0.14 712.6024170 0.35 717.3315430 0.85 719.6494751 0.49 723.1404419 0.15 725.2659302 0.76 726.0223389 0.34 727.1774902 2.04 728.1071167 0.68 730.9891968 2.05 732.6959229 0.63 736.1403809 0.07 736.7690430 26.07 737.7685547 2.16 741.8539429 0.23 746.3463745 1.13 747.8298340 0.54 749.5265503 0.27 755.2548218 3.91 756.3518066 1.33 758.8191528 0.37 760.2291870 0.88 761.0438843 1.21 761.7771606 0.62 764.0427856 0.81 765.1075439 0.50 765.7747192 0.03 767.0452271 0.07 768.6262817 0.43 769.7908325 5.38 770.6464233 0.25 771.7229614 0.19 772.9155884 0.95 773.6879883 0.08 777.5715332 0.27 778.6334839 2.68 781.3592529 1.04 783.5116577 1.95 784.7135620 1.80 785.6703491 5.57 787.1350708 1.25 787.8396606 1.52 790.1026001 1.25 791.5509644 0.89 793.2987061 0.08 805.2099609 0.29 813.1126099 0.41 816.4442749 0.29 825.6870728 1.31 826.8988647 0.68 827.6145020 0.33 833.9340210 0.15 843.8983154 0.28 845.5842285 0.35 851.8038940 0.09 852.8792725 1.68 855.4371338 0.36 860.4080811 0.17 862.3645020 0.14 870.5289917 0.66 871.2930298 0.39 874.6049805 3.09 875.5211792 0.37 881.7707520 0.14 883.1961670 0.21 884.1022949 0.52 887.7276611 0.29 889.6220703 1.11 902.7581177 0.30 905.3989258 0.13 908.4931641 0.35 909.5094604 0.54 910.3296509 0.47 912.3051758 0.45 913.0470581 0.67 914.6111450 0.09 919.8598633 0.15 921.5397949 0.26 923.9369507 2.35 924.9377441 0.80 926.2561646 0.57 927.5532227 0.16 929.5546265 0.16 931.2677612 1.13 934.6567993 0.16 936.2937012 0.17 941.0132446 0.64 941.6838989 1.55 943.7588501 0.40 945.2717285 0.79 946.9663696 0.11 948.0805054 0.13 949.4995728 0.75 952.0369263 0.13 953.0925903 0.16 954.0274048 0.17 956.2361450 0.78 958.7644653 1.25 959.3787231 0.22 960.6691895 0.44 961.4788208 0.24 962.6918945 0.57 963.7453613 0.07 966.2129517 0.29 967.5933228 0.91 970.3537598 0.14 973.3881226 0.25 974.3983765 1.08 975.3562012 0.60 984.7954102 0.16 986.9426270 0.12 989.1503906 0.73 990.9436035 0.33 995.7515259 0.78 997.6111450 0.14 998.4655151 0.29 1002.8141480 0.83 1003.4993290 0.40 1010.3063350 0.44 1014.3297730 0.58 1016.0930790 0.32 1031.5352780 2.04 1032.6702880 0.29 1035.3133540 0.26 1039.8681640 0.21 1044.4195560 0.39 1046.7510990 0.27 1048.2885740 0.33 1050.6420900 0.53 1051.7359620 0.46 1052.6953120 0.21 1060.4646000 0.24 1065.3215330 0.31 1070.3024900 0.51 1072.0402830 0.09 1074.1171880 0.10 1075.3079830 0.97 1076.3193360 0.34 1077.0556640 0.46 1077.7226560 0.28 1081.4136960 0.72 1082.7468260 0.46 1089.0098880 0.50 1093.1712650 0.20 1096.1430660 2.92 1096.8631590 2.97 1103.9429930 0.36 1109.3823240 0.28 1121.6627200 0.27 1127.3217770 0.60 1132.7712400 0.07 1137.7716060 0.07 1143.8912350 0.05 1144.8133540 0.04 1146.2390140 0.31 1149.7016600 15.16 1150.7514650 9.31 1151.8159180 1.95 1175.8784180 0.20 1177.9313960 0.36 1188.4624020 0.19 1192.6250000 1.24 1212.5065920 0.14 1235.1420900 1.10 1240.3439940 0.48 1241.3731690 0.20 1246.5711670 0.33 1247.4637450 0.26 1248.9975590 0.84 1264.9794920 0.16 1265.7127690 0.09 1275.0677490 0.23 1284.8736570 0.12 1363.7288820 1.97 1364.9431150 0.61 1365.7656250 0.13 1366.7293700 0.27 1371.6461180 0.12 1372.6346440 0.18 1373.9554440 0.21 1379.5728760 0.30 1431.9692380 0.29 1457.9627690 0.30 1458.9582520 0.52 1462.6551510 0.45 1464.4785160 0.26 1525.0633540 0.18 1548.6560060 0.16 1573.1468510 0.15 1575.1660160 0.12 1586.9891360 0.80 1587.8861080 0.13 1589.3220210 0.12 1661.9138180 0.18 1667.6802980 0.12 1681.2707520 0.12 1685.5949710 0.24 1731.3907470 0.63 1732.7530520 0.53 1740.2191160 0.16 1745.3231200 0.19 1757.0587160 0.71 1757.8449710 0.88 1759.0606690 0.75 1760.0169680 0.43 1774.9754640 23.41 1775.9802250 26.68 1777.0417480 10.61 1778.0802000 3.57 1779.0650630 0.21 1785.2999270 0.06 1854.5681150 0.29 1871.7650150 0.45 1872.9378660 0.13 1873.5485840 0.29 1874.4337160 0.22 1875.0471190 0.49 1889.9361570 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 861.2432 Annotation Unknow Peak:m/z Relative Intensity 241.9680328 0.05 246.1408386 0.09 256.0819397 0.06 256.7722473 0.77 258.2578125 0.16 261.2285156 0.07 262.1282043 0.13 266.0682983 0.20 268.8682556 0.14 277.2673645 0.14 289.8674316 0.24 301.0930786 0.21 304.8381348 0.07 306.1578369 0.21 307.1423950 0.08 319.0739746 0.52 320.2616882 0.39 323.3760986 0.10 347.2892456 0.07 361.0780029 1.57 362.2888184 1.58 363.3613281 0.28 365.1135864 0.14 366.3292236 0.13 379.1892090 0.34 380.3001709 0.62 381.2470703 0.13 389.0917358 0.36 403.3538818 0.07 438.3466187 0.04 479.1040649 0.21 481.0367432 0.11 482.0573730 0.04 484.4642944 0.39 486.2406006 0.07 491.1090088 0.09 493.3906860 0.21 496.1864624 0.14 501.6248779 0.11 513.3730469 0.10 514.2668457 0.79 523.0770264 0.06 524.2225342 0.17 527.5227051 0.06 542.1885376 0.23 543.2839355 0.07 555.2945557 1.10 556.3302002 1.51 557.1639404 0.30 560.4373169 0.32 561.4043579 0.58 565.2603149 0.41 567.3280640 0.26 570.3356323 0.20 571.3848267 0.31 572.8415527 0.14 573.9717407 0.47 583.3029175 0.72 584.2765503 1.95 585.2541504 0.43 601.4014282 1.42 602.3457642 3.40 603.3170166 1.57 607.4022217 0.26 608.1131592 0.06 609.1893311 0.38 615.2243042 0.11 616.2518921 0.12 625.4241333 3.34 626.3212280 8.33 627.3524780 2.58 628.1935425 0.10 629.4243164 0.29 630.4082031 0.09 643.2110596 12.52 644.2305908 19.15 645.1935425 6.78 667.2091064 2.95 668.2589722 8.72 669.3214722 2.18 671.3303833 0.13 672.4732666 0.13 681.0269165 0.23 682.2553101 0.16 685.1682739 8.41 686.1881714 25.32 687.2981567 5.86 699.1696167 0.05 707.6493530 0.08 718.3822021 0.07 742.7498779 0.24 747.5479126 0.27 759.3576050 0.19 760.2705688 4.98 761.3692017 2.58 777.7544556 4.17 778.3674927 5.73 779.3280029 3.34 801.7536011 11.94 802.3661499 31.17 803.3359985 14.16 804.0487061 0.06 820.1807861 100.00 821.2544556 28.48 826.4916382 0.64 844.2890625 0.03 845.0514526 0.13 847.6275635 0.25 860.8007812 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 478.2933 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 139.8068695 0.08 153.0937042 0.15 214.1871643 0.68 215.3292389 0.03 224.9920502 0.07 231.8066711 0.06 233.9689636 0.11 241.3568420 0.04 258.2855225 0.22 272.3335266 0.07 276.0414734 0.05 281.2684326 100.00 281.9507141 0.13 291.3214722 0.15 297.4064331 0.15 324.2623901 0.03 335.2669983 0.13 345.0638123 0.04 362.2877808 0.04 381.5610046 0.13 393.2360840 0.11 404.8273621 0.36 416.4077454 0.06 422.5985107 0.22 431.1946716 0.12 432.1385803 0.52 432.9517212 0.20 433.8564453 0.03 434.6765442 0.12 446.3344727 0.05 449.1263123 0.05 459.7759705 0.28 460.5248718 0.11 461.5199585 0.21 463.3742981 0.06 471.0664978 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 418.8944 Annotation Unknow Peak:m/z Relative Intensity 158.9871368 0.08 174.9970398 1.11 215.8485718 0.06 230.1578979 0.03 244.8655701 0.04 260.9772949 0.02 273.1080017 4.02 274.1020203 2.93 289.0711670 27.14 304.9416199 100.00 345.0689697 0.10 359.3819580 0.03 362.8570557 0.03 372.3707886 0.04 373.8107605 0.03 375.0688782 0.05 390.9064636 0.06 409.1133728 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 589.3206 Annotation Capilliposide B Peak:m/z Relative Intensity 165.7932739 0.07 180.8964233 0.26 182.1007080 2.06 183.0317535 0.42 186.2798004 0.16 187.3223572 0.05 188.9136353 0.07 195.9943237 0.16 197.4961090 0.03 200.1820984 1.34 200.8908691 0.15 204.0782471 0.22 209.3735657 0.13 211.2225647 0.13 212.9125366 0.29 228.1347351 0.05 229.3128204 0.03 233.2027130 0.60 241.1329041 0.23 247.0669708 0.20 253.1518250 0.10 254.0758057 0.14 254.9422150 0.18 259.2824707 0.13 261.1309814 0.04 262.2218628 0.04 266.2510681 0.22 269.3448486 0.10 274.2980957 0.32 275.0632935 0.15 276.0686646 0.05 279.1214600 38.00 280.1919556 5.08 288.2653809 0.08 289.1781006 0.03 292.2660522 0.04 296.2937012 0.22 298.2944946 0.06 299.2343140 0.10 300.2926331 0.09 301.2331238 0.09 302.3361816 0.04 304.6365356 0.95 307.5379639 0.15 308.2675781 0.21 320.3885498 0.11 324.9539185 0.09 326.0987549 1.33 326.9206543 0.08 329.2617188 0.11 330.1401978 0.32 333.1223145 0.16 333.8869629 0.17 343.3590088 0.21 344.6719971 0.12 345.2949829 0.04 346.0325317 0.12 347.3107910 0.63 348.4044800 0.05 355.3093872 0.19 365.1379395 0.11 371.5126343 0.65 372.2141113 0.11 376.9901123 0.27 379.2779541 0.11 380.4306030 0.22 381.4511108 0.12 382.4483032 0.27 383.5982056 0.11 384.2647705 0.06 385.7539062 0.14 386.5197754 0.05 388.2595825 0.39 390.1547241 1.72 391.3078613 0.07 392.1115723 0.51 393.1903076 0.10 394.1641235 0.28 397.3512573 0.09 401.2621460 1.15 405.8936157 0.18 407.4337769 0.14 408.2473755 1.29 409.1225586 0.33 411.1406250 0.16 414.7313843 0.38 423.1244507 0.14 427.3555908 0.68 428.0343628 0.73 428.9585571 0.10 434.7120361 0.38 436.4542847 0.13 439.4869995 0.21 440.3468628 0.19 441.4735718 0.57 442.0892334 0.06 443.4169922 0.30 445.1011353 0.29 447.3712769 0.20 449.1205444 0.18 450.4899902 5.27 451.6630249 0.08 453.3891602 0.08 455.0908203 0.20 456.3223877 0.13 457.1425171 0.19 458.3594360 0.10 459.5509033 0.07 460.2355347 0.17 461.2455444 0.06 463.6895142 0.17 465.1458130 0.07 467.5872803 0.04 468.3176880 0.05 473.4262695 0.39 481.1632690 1.27 484.0513306 0.18 485.0306396 0.56 487.3752441 0.24 489.8974609 1.17 490.5444336 0.31 492.1353149 0.26 496.7992554 0.08 499.1277466 19.83 500.1507568 1.30 501.6233521 0.12 503.3981323 4.45 504.4767456 0.63 505.9132080 0.47 507.2012939 0.21 508.0491333 2.87 509.0497437 1.12 511.2889404 0.20 512.2255249 0.13 513.4359131 0.52 514.7545776 1.25 516.1198730 0.86 518.3663330 0.83 519.4385376 0.13 521.3703003 0.24 522.3284302 0.39 523.3627319 0.15 524.3806152 0.62 527.2101440 0.16 528.8579712 0.89 529.7667847 0.29 530.9090576 0.19 531.5309448 0.13 532.4876709 0.36 533.7709961 0.22 535.3189087 0.74 536.3654785 1.08 537.6342773 2.67 538.6585083 2.29 539.3334961 0.24 539.9475708 0.23 542.5878296 4.49 543.5804443 0.73 544.5848999 2.22 545.3005981 0.24 546.3975220 0.53 547.8649292 0.11 548.4844971 0.20 551.5428467 0.78 553.7839355 1.57 554.4863281 0.84 556.3224487 2.07 557.4830322 0.26 560.8318481 16.58 562.0046997 0.86 563.5835571 0.79 564.8164673 0.16 565.9944458 0.28 566.6113892 0.84 567.4185791 7.22 568.5780640 0.08 570.4569092 0.52 571.5685425 2.52 572.4845581 1.26 573.8504028 2.38 574.5263062 4.60 575.4580688 0.55 578.0161743 1.21 579.7935181 1.42 580.5857544 11.37 581.5642090 0.21 582.3222046 0.11 583.7738647 0.49 604.1349487 1.94 605.4860229 0.40 613.9172974 1.77 614.9883423 0.56 618.1790771 0.08 625.5062256 0.45 631.6758423 0.86 632.6961060 0.08 633.7849731 0.07 635.9470825 0.39 636.7122192 0.21 638.6163940 0.25 641.1859741 1.32 642.0936890 0.83 642.7443237 0.12 643.5299683 0.37 644.8805542 0.11 646.6586304 0.98 648.1358643 0.13 652.5351562 4.71 653.3875122 0.11 654.6594849 0.08 655.7877808 0.07 657.3294678 0.30 658.2078857 0.53 660.1426392 0.41 662.3460083 0.58 665.3029785 0.34 667.4237061 0.22 668.0437012 0.07 671.4907837 1.86 672.4778442 0.12 673.3988647 0.26 675.3789673 2.67 676.0921021 0.99 677.3530273 10.30 678.4078979 0.19 679.7803345 0.11 682.3557739 0.19 685.2742310 1.01 688.2720947 0.06 690.5653076 0.13 695.3880005 0.15 696.0499878 0.19 697.6127319 0.05 699.0822144 0.11 700.3121948 0.35 701.1241455 0.22 704.7171631 0.07 706.8093872 0.22 707.4585571 0.07 709.3554077 0.28 713.1660767 0.32 715.1757202 0.98 717.2463379 1.01 718.2903442 0.17 723.1104126 2.33 725.8982544 0.08 727.3148193 0.29 728.3703613 0.14 735.9569702 2.26 736.5988770 0.18 741.0386963 0.33 742.7764893 0.44 743.7841187 0.25 744.7401733 0.10 745.3846436 0.51 746.0396729 0.25 747.5711060 0.12 749.1962280 0.07 750.0285034 0.23 754.7340698 0.18 756.1387939 4.47 756.9282837 0.06 758.4888306 0.07 759.4672241 0.04 767.6517944 0.08 769.8344116 0.40 770.5694580 13.06 771.5874634 2.78 772.4937134 0.22 773.3748779 0.08 776.5812378 0.03 778.3767090 0.06 779.4000854 0.09 782.4052124 0.08 787.8619385 0.42 791.8897095 0.20 796.8036499 0.15 797.5341187 0.25 799.5188599 0.11 800.5803223 0.11 804.5869751 0.30 806.4190674 0.98 807.2767334 0.41 809.6651611 0.38 810.6091919 0.44 815.6177979 1.34 826.2149048 0.06 831.4694214 2.28 832.6845093 1.65 836.6405640 0.23 856.5277710 0.04 857.5899048 0.08 860.1616211 0.14 871.9326172 0.45 872.6867065 0.09 878.2743530 0.73 879.7224121 0.20 881.7319336 0.78 882.6274414 0.89 883.5214233 0.58 899.6030273 100.00 900.6791382 35.48 901.6597290 0.37 912.4545288 0.49 914.7006226 0.06 915.3225708 0.08 916.6035767 0.09 917.6576538 0.08 918.5122681 0.04 924.6121216 0.12 929.2562866 0.28 930.0746460 0.21 931.6411133 0.61 935.3989258 0.04 936.1578979 0.06 942.3117065 0.07 945.6613159 0.33 947.8165894 0.06 949.6773071 0.19 951.8283081 0.27 952.5148315 0.04 959.2759399 0.14 960.7185669 0.38 961.6842651 0.47 963.6218262 0.23 971.4928589 0.05 973.4155884 0.25 974.5686646 0.31 978.5960083 13.67 979.7148438 4.73 982.6095581 0.09 984.9605103 0.09 988.3756714 0.35 995.2646484 0.10 996.9197388 0.11 999.6880493 0.06 1003.1714480 0.14 1011.0656740 0.21 1015.3650510 0.10 1015.9753420 0.26 1018.9129030 0.15 1028.5637210 0.12 1029.6105960 0.27 1030.5560300 0.54 1044.8168950 0.27 1045.6700440 0.23 1046.7165530 0.12 1063.5749510 0.03 1069.5766600 0.40 1074.3187260 0.08 1075.6965330 0.11 1085.7458500 0.08 1096.9514160 0.06 1118.6364750 0.09 1144.6632080 0.05 1157.7539060 0.06 1179.7257080 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 382.1695 Annotation Thr Phe Asp Peak:m/z Relative Intensity 115.8339767 0.50 120.8758392 0.40 123.2243118 0.36 125.0640182 0.13 128.178009 0.34 129.1795959 0.33 160.1774139 0.87 165.9553833 0.46 173.7269897 0.21 175.1752319 0.59 184.195755 0.37 200.3038025 0.14 202.2948303 1.72 203.2070923 2.54 211.1486206 0.52 213.035675 0.20 215.1888275 0.21 220.0869751 51.24 221.1271057 100.00 222.1400604 0.11 229.958374 0.57 233.1046753 0.49 251.0595398 1.00 252.1821899 6.27 253.3339539 0.48 262.0932922 0.89 262.9726562 0.29 267.8615723 1.52 272.3764954 1.14 275.8092346 0.39 276.8977661 0.98 286.3043518 0.68 293.1781616 1.53 294.1481934 0.38 296.4048462 0.99 305.2288208 0.87 308.3122864 1.11 311.4792175 1.14 316.6803284 0.75 319.0570679 0.29 325.3664246 0.21 327.4112244 0.58 330.6477051 0.76 333.3019104 0.48 337.2716064 1.72 340.271698 1.38 341.0837708 0.68 343.3583984 2.00 346.9866028 1.45 347.5947876 0.12 348.2894592 0.79 350.3240967 0.26 355.3244934 0.47 363.9015808 0.20 365.0680237 11.40 365.6786804 0.92 371.6650085 0.47 372.3319702 0.21 373.6020203 5.71 374.3158875 2.06 374.9275208 0.56 377.020813 0.66 377.8320007 2.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 706.3318 Annotation Unknow Peak:m/z Relative Intensity 198.1827240 0.15 199.0205231 0.25 200.2031860 0.09 201.1691132 0.57 202.3451538 0.10 213.1177979 3.03 217.1840515 0.24 218.1358643 0.50 219.1491089 0.55 220.8568115 0.06 229.0038757 0.08 230.9586334 0.30 231.9982147 0.11 233.2570801 0.34 234.1459351 19.92 236.1002808 0.32 238.1096802 0.16 245.0238647 0.10 247.1345825 0.62 248.2127686 1.23 249.0235596 0.07 250.2642059 0.04 251.0998230 0.59 257.2293091 0.20 259.1823730 0.04 260.1797485 0.34 261.3215637 0.15 263.0490723 0.15 264.9991455 0.43 267.2218018 0.13 271.0439453 0.23 274.1668091 0.07 275.1605835 1.67 276.3131104 0.07 277.2268066 0.74 279.1580505 0.67 280.2254333 0.14 288.2436218 0.27 288.9892578 0.59 291.2265015 0.20 292.1351624 0.12 293.3261719 0.18 294.2953796 0.17 295.0977173 0.35 297.1229553 0.17 303.1072693 5.55 304.2262573 4.09 305.3363037 2.78 306.1843872 0.08 307.1737976 1.04 308.1052856 0.06 309.0421143 0.14 313.5733643 0.14 314.9535522 0.23 318.1796875 0.06 319.2474060 0.25 320.1648560 1.68 322.2977295 13.89 324.8403320 0.20 327.3302002 0.48 328.2747498 0.14 331.3730469 0.64 333.3475952 0.14 335.1264648 12.82 337.2164307 0.59 339.4061890 1.45 341.1115417 0.29 342.1879883 0.07 343.2229614 0.14 345.9313354 0.05 347.3916016 1.17 348.3241272 5.26 349.1807251 0.38 351.3067627 0.44 352.2567749 0.45 355.1503906 2.17 356.5054932 0.08 357.1375732 0.08 360.4993286 0.52 361.1889038 0.10 367.2421265 24.31 369.1555176 0.10 374.3385010 0.93 375.9714355 0.35 377.2921143 0.07 380.2179565 0.23 385.1303101 1.16 389.1744385 0.92 389.9261475 0.04 392.3828735 0.08 393.2269287 0.16 396.2717896 0.11 408.3940430 0.05 409.1784668 0.09 411.3547363 0.04 412.4015503 1.99 413.4712524 0.12 414.4520264 0.10 420.7687988 0.17 424.2615967 8.71 426.3955688 0.39 434.5336914 0.10 438.3282471 0.58 442.2886963 40.33 443.3818970 0.77 445.1233521 0.26 446.1356201 0.21 447.5068359 0.24 455.3085327 0.21 456.2702026 5.61 459.2508545 0.51 460.4575806 0.12 471.2322388 0.15 472.1642456 0.12 473.5042114 0.65 474.3062744 0.14 478.6028442 0.13 482.4794922 0.26 483.3707275 0.53 485.2974243 0.24 490.2275391 0.24 492.4384155 0.20 494.6259766 0.77 495.4744263 0.69 496.8749390 0.33 498.5067139 0.12 500.3973389 1.56 502.2518311 0.55 503.1711426 0.10 504.4639282 0.09 505.3959351 0.54 506.5091553 0.15 510.2932739 0.28 512.3635864 9.46 513.4425049 2.60 514.4512329 0.16 515.4221191 0.27 519.1318359 0.08 520.2136841 0.19 522.3570557 0.16 524.1508789 0.22 525.4555054 0.06 526.2975464 0.57 530.3775024 33.14 531.2980347 0.16 533.5072632 0.12 537.9611206 0.09 541.3779297 0.08 542.3231201 0.08 544.4652710 0.46 552.1630859 0.33 553.2816162 0.04 555.1441040 0.52 556.3198853 1.91 557.5901489 0.28 558.5694580 0.51 559.3992310 0.14 561.1021118 0.21 562.3204956 0.32 567.5718384 0.27 568.3093872 0.16 569.5415649 0.16 573.3590698 0.10 575.1613159 1.43 576.1276855 0.16 582.3831177 0.20 585.3707886 0.58 588.3858032 0.72 589.5315552 0.45 591.2894287 0.17 599.8135986 0.26 600.4918213 0.29 603.1275024 0.57 604.7532349 0.32 607.4571533 0.12 611.5205078 0.11 618.1277466 0.93 619.1166382 1.04 621.6239014 0.49 631.6376343 0.24 634.4260864 0.20 635.3141479 1.67 636.0144653 0.06 639.3742676 0.26 642.5050049 0.23 644.3153076 0.14 646.1549072 0.14 647.0812378 0.54 652.2687378 1.72 653.1439819 0.46 655.0010376 0.32 659.3956299 2.43 661.1401978 1.56 663.2103882 0.29 664.4899292 0.42 670.1893921 0.60 671.1928711 0.37 672.2101440 0.89 674.2783813 0.25 675.1394043 0.42 676.3525391 100.00 677.3065796 2.05 678.5910645 0.19 679.4284058 0.35 686.4475708 0.45 688.3676147 26.70 689.4066772 18.68 690.6915283 0.46 691.3554688 0.03 692.2104492 0.04 692.8577881 0.42 694.1517944 0.06 695.0918579 0.09 696.8560181 0.37 697.9006348 0.62 718.7406616 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1359.6187 Annotation Unknow Peak:m/z Relative Intensity 395.2355652 0.17 406.0068970 0.04 425.1908569 0.28 467.1554871 0.75 468.0772705 0.73 471.2612305 0.75 499.5199585 0.36 513.4169312 0.05 514.1296997 0.25 585.6503906 0.67 586.4041748 0.91 601.4044189 0.12 602.6248169 0.09 603.4672241 0.38 604.6936035 0.44 627.5766602 0.18 638.2677002 0.23 640.8751221 0.18 646.6362305 0.19 683.9084473 0.20 684.8936768 0.15 685.8946533 0.33 699.4936523 0.21 700.4858398 0.08 711.2996826 0.68 712.4467163 1.00 726.4547119 0.09 729.4078369 0.74 730.6314697 1.02 747.5253296 2.05 748.5040283 2.31 749.6021729 0.05 753.7536621 0.17 766.6987305 0.22 771.4371338 0.87 772.4119873 2.12 773.0588379 0.78 789.4672852 6.60 790.6003418 8.33 791.6191406 0.28 807.4517822 5.70 808.5964355 8.11 809.6853638 0.78 831.4124756 7.47 832.4747314 10.52 833.7822876 0.29 849.4778442 18.52 850.4414062 44.75 851.5726318 2.13 872.7653809 0.12 891.3751221 40.81 892.4213867 100.00 893.4602051 7.00 974.4744873 0.07 1054.2070310 0.10 1096.5273440 0.08 1135.4160160 0.09 1156.6437990 0.07 1216.2291260 0.35 1313.2583010 0.10 1318.0280760 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1071.5359 Annotation Scaberoside Ha Peak:m/z Relative Intensity 322.9393005 0.29 325.2611694 0.13 347.3888550 0.06 366.0469666 0.03 407.7665100 0.18 409.4241333 0.07 419.1324463 0.06 426.5271606 0.04 450.5512695 0.09 454.0597839 0.02 463.2283325 0.03 467.2756958 1.57 468.3015747 0.58 469.3900146 0.07 471.2284241 0.18 472.4441528 1.46 473.5411377 0.14 486.3173523 0.10 495.1303406 0.12 511.2434082 0.07 512.6997681 0.03 525.0839233 0.20 542.4074707 0.02 559.6467285 0.08 560.3567505 0.11 595.1331787 0.10 603.4934082 51.51 604.4863281 100.00 605.4571533 21.80 606.1060791 0.12 612.2427979 0.05 618.5566406 0.13 645.5498657 0.27 646.4296875 0.41 683.5250244 0.03 685.2058716 0.05 686.4785156 0.12 688.2462769 0.16 728.3582764 0.05 748.6124268 0.17 765.9716187 0.04 793.1147461 0.11 800.9680176 0.75 801.6816406 0.07 808.2244873 0.24 809.4116211 0.06 837.0961914 0.02 850.3465576 0.31 851.2656250 0.03 853.2449951 0.06 891.1966553 0.07 894.3278809 0.09 897.0711670 0.09 899.2043457 0.10 909.3048096 0.03 910.4654541 0.04 921.7623291 0.44 928.2589111 2.76 929.4119873 0.50 939.2832031 0.06 951.1287842 0.05 970.3183594 0.06 971.1636963 0.08 1027.1854250 0.04 1043.4082030 0.03 1049.0939940 0.13 1049.9479980 0.16 1055.0067140 0.55 1055.8232420 0.63 1056.5522460 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 635.2145 Annotation Unknow Peak:m/z Relative Intensity 215.3067017 0.03 220.7444763 0.01 221.4327087 0.01 233.0749817 0.04 238.1815491 0.03 262.9480591 0.07 267.1809082 0.05 280.9078369 0.07 293.0057983 0.01 315.3851318 0.03 323.0617676 0.26 341.1079712 0.79 372.0734863 0.02 383.2650757 0.36 399.1082764 0.04 399.9566040 0.02 412.8065186 0.21 442.5678711 0.22 443.1905518 0.63 451.3453979 0.04 464.1935425 0.04 465.4922485 0.06 473.2286377 0.02 485.2160034 0.06 488.0104370 0.01 488.8040161 0.01 503.2286377 100.00 503.8396606 0.21 505.5789185 0.02 519.9087524 0.01 530.0455322 0.24 549.1483154 0.05 561.3887329 0.02 588.0515747 0.07 589.0581665 0.27 598.7836304 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 699.8741 Annotation Unknow Peak:m/z Relative Intensity 199.1279449 0.06 215.2745209 0.54 217.2341156 0.30 226.3579102 0.18 233.0727692 2.56 234.1822662 0.12 239.7859955 0.06 244.4395905 0.07 247.1949921 0.06 249.1171722 0.07 250.0267487 0.05 252.3024445 0.11 259.1867371 0.17 261.8292847 0.05 282.2578430 0.20 286.9571533 0.14 297.3427124 0.07 298.2453613 0.10 301.4647217 0.10 307.6920471 0.03 314.3636475 0.24 316.5486145 0.20 322.5602417 0.16 325.4208984 0.12 332.2297668 0.17 336.3884888 0.12 341.5753174 0.10 342.9083862 0.02 345.5805664 0.06 353.2154541 0.22 354.0812988 0.19 355.3504028 0.22 358.4923706 0.07 369.0231934 0.17 370.1212158 0.06 379.4093628 0.09 380.5254517 0.11 381.1936035 0.06 382.3159180 0.04 384.9107666 0.20 396.1729736 0.05 397.0002441 0.26 398.3003540 1.50 399.4974365 0.23 400.1091919 0.24 402.3015137 0.05 406.0978394 0.03 409.2233887 0.05 412.4109497 0.25 413.8009033 0.29 415.2277222 1.04 416.2580566 0.29 426.4523315 0.20 431.1395264 0.15 432.4656372 0.18 442.4005737 0.06 445.0534058 0.06 446.4000244 0.05 450.3212280 0.38 451.4060059 0.29 455.3973999 0.20 456.2175903 0.03 458.1402588 0.08 460.3587036 0.11 468.2559814 1.50 469.3270874 0.35 470.1620483 0.21 471.0311279 0.08 472.5244751 0.22 478.5039673 0.38 482.5120850 0.04 483.4328003 0.05 485.2906494 0.18 486.3170776 3.30 487.3146362 0.36 488.4260864 0.06 490.7590332 0.07 496.2550049 0.04 497.4996338 0.48 503.3500977 0.13 504.4007568 0.16 506.6796875 0.04 509.4121704 0.12 512.6473999 0.04 515.1431274 0.09 517.0798340 0.52 517.8992310 0.09 525.3843994 2.65 526.1873169 1.31 527.2614746 1.08 528.1331177 0.18 529.4575806 0.35 532.5473022 0.31 534.6358032 1.16 535.4137573 0.46 537.9575195 0.21 538.6538086 0.20 539.5900879 0.04 540.4161987 0.19 541.7323608 0.07 543.8932495 0.13 547.4390259 0.09 548.6675415 0.16 552.5789795 0.27 553.4231567 2.01 554.4511108 1.30 555.4115601 0.33 557.4265137 0.06 559.4032593 0.12 561.2267456 0.36 562.4351807 0.04 565.7754517 0.38 566.5859985 0.20 567.2478027 0.27 569.0787964 0.09 570.2485962 1.39 571.0760498 0.07 572.3739624 0.08 575.0982056 3.81 576.0697632 1.47 577.0405884 0.61 578.1275635 0.60 579.2375488 0.50 579.8457642 0.04 581.3065796 0.36 582.7063599 0.82 584.0496826 19.78 585.0070190 2.61 585.8604736 0.71 586.7529907 0.33 587.4323120 0.37 589.9920654 0.93 591.9393921 19.08 592.5996704 10.97 593.8658447 0.22 594.9827881 0.40 596.3984985 2.56 597.5191040 1.70 598.6641235 0.30 600.0409546 0.49 602.3843994 0.30 608.2433472 0.16 609.2163696 0.19 611.2456665 2.26 612.1629639 0.26 614.3412476 8.53 615.5305176 3.26 616.4215698 1.49 617.1013794 0.13 619.6921387 12.48 620.5946655 1.04 621.3500366 0.03 624.3834839 11.68 625.0966187 7.61 626.1896973 0.62 627.1466675 0.39 631.6854248 0.14 633.6106567 100.00 634.5042114 11.90 635.2849121 1.50 636.2086792 0.65 638.3131714 0.25 639.7317505 0.12 640.5594482 0.72 642.6395264 0.33 644.1943359 0.70 645.1901855 0.05 648.4019775 0.07 650.4027710 0.09 652.4761353 5.61 653.4006958 1.93 654.6288452 0.82 655.3964233 0.11 660.2451172 0.21 661.3624268 0.25 662.3069458 0.11 663.5168457 0.40 666.5708618 0.25 667.4920044 0.03 668.4500732 0.27 670.2792358 0.37 670.9494019 0.73 671.9911499 0.05 673.6450806 0.14 674.9766846 0.56 676.1915894 0.07 678.5914917 0.59 679.8760986 0.10 681.5648804 1.22 682.4098511 0.83 683.7526855 3.56 684.5316772 4.31 686.0387573 0.17 686.6425171 0.21 688.2702637 0.51 689.4331665 0.06 690.9420776 17.76 691.6732788 11.29 693.0819702 1.17 693.7247314 0.11 711.0964966 0.14 711.7393188 0.07 713.4587402 1.97 714.3579712 0.48 715.6792603 0.16 717.4104614 0.03 722.5558472 0.12 726.1814575 0.40 729.4719849 0.02 730.4393311 0.37 731.3287354 0.04 735.6881714 0.20 738.9625854 0.07 739.6875610 1.13 740.8346558 0.52 741.8418579 0.38 751.4279175 0.02 752.9492798 0.44 753.6845093 0.19 754.3468628 0.46 755.7199097 0.08 756.3605347 0.09 758.5622559 0.06 761.4334106 0.04 762.8577271 0.23 763.5604858 0.13 764.4743042 0.21 767.4818115 0.23 768.6027222 0.13 769.6890869 0.07 771.3284302 0.15 780.5166626 2.28 781.5905151 0.70 782.4600220 0.10 785.5077515 7.18 786.5747681 1.88 787.8115845 0.33 788.6205444 0.06 791.7315063 0.16 794.3746948 0.17 800.3948364 0.06 806.0593872 0.26 810.8995972 0.21 812.2342529 0.10 813.0333252 0.39 813.6710205 0.17 814.7252197 0.13 821.1876221 0.13 822.4044189 0.16 823.5142212 0.10 826.3654785 0.25 829.6503296 0.15 830.5081177 0.03 833.9065552 0.16 835.8606567 0.08 839.4817505 0.24 842.5921631 0.06 844.6802979 0.05 850.3510132 0.27 851.7530518 1.03 852.6909790 0.08 853.5895386 0.08 854.8087158 0.06 859.3517456 0.11 862.4428101 0.26 864.1858521 0.08 864.9981079 0.61 868.3967896 0.99 869.4910278 0.27 870.4895020 0.07 872.1572876 0.08 877.3405762 0.19 879.0020142 0.05 881.1936035 0.41 891.6085815 0.10 894.8568726 0.24 896.5712891 0.27 897.5994263 0.06 899.6833496 0.26 904.4743652 0.10 911.3657227 0.06 913.5807495 2.01 914.6582031 0.37 915.6371460 0.80 921.3745117 0.34 923.3359985 0.53 926.8838501 0.26 927.7145386 0.12 929.5260620 0.16 933.4880981 0.09 935.2753906 0.24 937.8156128 0.03 938.5947266 0.11 941.3350220 0.24 944.5159302 0.06 948.8020630 0.26 949.9343262 0.23 950.6047974 0.97 951.5742798 0.83 952.5230103 0.27 953.4116211 0.26 961.7310181 0.06 962.5067749 0.23 963.6723633 0.19 966.2294922 0.10 968.3527832 0.41 969.4961548 0.08 970.5283203 0.09 971.8667603 0.03 973.6716309 0.23 980.3416138 0.10 983.9833984 0.09 984.7006226 0.82 985.9002075 0.10 989.3621216 0.16 990.4765625 0.19 1000.4351200 0.07 1012.6022340 0.36 1014.8167110 0.24 1030.8753660 0.18 1031.5782470 0.31 1032.6528320 0.06 1038.2260740 0.06 1040.3652340 0.24 1041.5614010 0.16 1042.7897950 0.12 1049.7158200 0.81 1050.6672360 0.93 1051.4276120 0.47 1052.7581790 0.41 1053.6474610 0.33 1056.7333980 0.05 1061.9699710 0.21 1067.6125490 3.37 1068.6619870 1.44 1069.4501950 0.17 1074.5753170 0.16 1076.0307620 0.11 1088.1571040 0.07 1104.8896480 0.14 1108.9571530 0.07 1113.6591800 0.12 1122.3894040 0.05 1131.5595700 0.04 1137.8903810 0.28 1138.8698730 0.08 1139.7893070 0.06 1148.7143550 0.42 1149.5488280 0.32 1150.8099370 0.10 1160.6408690 0.13 1161.8508300 0.15 1162.9414060 0.16 1164.8994140 0.10 1166.5988770 14.42 1167.6264650 7.97 1168.7253420 2.40 1181.0876460 0.06 1182.7541500 0.74 1183.9127200 0.45 1184.8210450 0.15 1213.6923830 0.11 1214.6243900 0.16 1221.8657230 0.04 1247.8925780 0.17 1248.8320310 0.05 1249.9080810 0.03 1265.6555180 6.45 1266.6715090 3.17 1267.7539060 1.21 1272.8249510 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 534.1738 Annotation Unknow Peak:m/z Relative Intensity 158.9093018 0.31 161.9420166 5.39 167.0557556 3.34 169.9834290 0.12 174.3266296 0.08 177.0444794 1.75 178.9979553 9.20 192.0151062 0.10 202.6553040 0.14 209.1497192 3.39 215.2029266 0.32 227.0966797 21.00 233.1114655 2.76 245.1546936 0.28 254.9234314 0.34 255.9989624 0.89 267.2022705 1.22 272.0690918 0.43 280.3283081 0.09 281.4458618 1.19 282.4926453 0.86 284.8566895 1.21 289.2343140 0.33 290.4067993 1.28 301.4235840 0.49 308.1320801 100.00 319.2031860 0.21 327.1107178 0.16 329.7652588 0.25 331.1879883 0.17 331.8818359 0.21 343.3092041 0.20 354.0542603 0.59 358.3480835 0.09 359.3345947 0.30 361.3529663 0.75 362.6751099 8.51 363.5066528 0.05 369.4578857 0.30 371.3430176 0.28 373.4209595 0.46 384.6938477 0.10 385.4354248 0.12 386.8280029 0.13 399.7954712 0.18 404.9414673 9.28 419.3138428 0.08 420.7927246 0.27 459.2843628 1.57 486.1791382 0.55 488.0809326 0.09 516.2630005 1.54 517.2418823 0.82 533.2783203 0.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 670.2746 Annotation Unknow Peak:m/z Relative Intensity 206.2005615 0.10 206.9541016 0.08 215.0147095 0.01 220.2015686 0.09 234.4490967 0.05 248.1298828 13.74 249.2672882 1.01 263.1917114 0.03 265.2915649 0.02 274.4042969 0.03 275.2193604 0.03 291.2021484 0.11 295.1678467 0.02 302.2016602 0.09 303.2429199 0.29 304.4438782 0.08 305.2999268 0.31 306.1112671 0.07 309.3231812 0.02 317.2853699 0.02 318.1546021 0.01 319.6986084 0.03 321.3364258 0.03 323.2409668 0.06 324.3262329 0.05 330.1702881 0.06 333.4044189 0.03 334.9896240 0.11 335.6414185 0.03 337.1360474 0.01 346.0159912 0.22 349.1472168 1.32 350.2050171 0.28 351.3762817 0.11 352.3508301 0.11 353.3652344 0.02 361.0146484 0.03 363.3510742 0.08 364.4880371 0.08 365.1709595 0.02 374.2707520 0.08 375.5435181 0.04 376.1796265 0.02 378.1871338 11.04 379.1976929 2.02 380.7201538 0.01 390.1610718 0.26 391.4908447 0.22 392.3158569 0.22 393.3162842 0.05 398.2518921 0.02 404.2120972 0.08 406.2102661 100.00 407.2415161 23.02 408.2514648 0.14 409.2375488 0.21 416.0048828 0.05 423.2345581 24.24 424.3176270 5.74 425.8528442 0.04 436.4523926 0.08 441.3987427 0.02 444.2081299 0.01 445.4544678 0.06 449.2460327 0.24 450.1471558 0.19 458.1815186 0.04 459.0074463 0.09 470.6953125 0.03 472.8912964 0.07 475.1778564 0.11 477.3047485 83.37 478.3004761 25.25 479.2540283 0.17 494.2999878 54.86 495.2877808 15.76 496.5645752 0.05 502.0495605 0.05 503.2604980 0.13 508.3687134 0.04 520.2788696 25.40 521.2702026 7.56 522.1361694 0.04 541.4003296 0.10 542.3862915 0.01 543.1981812 0.09 545.2587891 0.09 552.5967407 0.07 556.4404907 0.12 557.4982300 0.08 558.4127808 0.11 580.8269653 0.03 582.3652344 0.12 583.1843872 0.09 589.6743164 0.05 595.4037476 0.02 596.0730591 0.01 599.2501221 0.59 600.1554565 0.03 606.0564575 0.03 610.6452026 0.12 612.5142212 0.05 626.5470581 0.29 628.3203125 0.16 629.3308716 0.04 633.1055908 0.09 635.2982788 0.11 647.1926880 0.05 648.0410156 0.01 649.2863159 0.07 652.3513794 2.93 653.3460083 4.70 654.2866821 1.13 655.2439575 0.25 656.2550049 0.11 661.1292114 0.03 662.3744507 0.04 662.9757690 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 298.1 Annotation 5'-Methylthioadenosine Peak:m/z Relative Intensity 85.1162415 0.06 85.9939575 0.06 87.8791199 0.04 96.9311218 1.68 98.8376236 0.12 100.4393921 0.06 104.1078262 0.11 105.8968506 0.07 108.9332657 0.03 111.1061935 0.08 114.0672531 0.05 115.0785217 0.03 119.9977493 0.05 121.0389862 0.04 124.2570038 0.09 127.0051575 0.16 127.8957214 0.09 128.9893341 0.51 131.0522308 0.05 132.0657806 0.08 132.8302155 0.36 135.9074707 100.00 143.9047546 0.03 145.0075684 2.09 151.9757690 0.03 152.9186401 0.07 161.9756470 0.04 162.9400635 6.14 166.1678467 0.14 167.3480835 0.03 169.1188354 0.11 172.9891968 0.04 177.1659851 0.21 178.1495209 0.08 180.2193909 0.14 182.1360016 0.28 185.3121338 0.05 187.0920105 0.15 192.1923828 0.06 193.1108246 0.08 194.9553528 0.32 195.7443848 0.07 197.1717529 0.08 201.1510315 0.19 206.2243958 0.09 207.2458801 0.17 208.0419006 0.48 209.2036438 0.14 211.1339111 0.02 212.0779724 0.06 212.8265991 0.03 217.0794373 0.01 218.1412354 0.02 219.1817322 0.08 220.1510315 0.04 220.9231873 0.03 222.2856140 0.09 223.0176086 0.17 223.9329529 0.13 226.1463013 0.21 229.9656067 0.04 230.6029358 0.07 232.0237732 0.04 234.0944214 0.17 235.1952820 0.06 237.4541931 0.42 238.1580505 0.50 239.1456604 0.03 240.1089783 0.04 242.2608337 0.08 251.0280762 0.38 252.1326294 1.56 252.9475098 0.09 254.1853027 0.15 256.1428528 0.17 256.8391724 0.33 257.4965210 0.10 258.9924316 0.09 261.3276978 0.10 262.2130737 0.25 262.8546753 0.24 267.3513794 0.12 269.1171265 0.16 270.1588440 0.60 271.3677368 0.17 275.3465881 0.31 278.0143127 0.02 279.1840515 0.74 280.0339661 2.42 281.1326599 0.13 282.2279663 0.53 283.1836243 0.02 283.9498901 0.10 288.4835510 0.41 289.1065979 2.36 289.9432983 0.23 291.3945312 0.24 292.1870728 0.25 298.2727051 0.08 309.1659546 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 579.1923 Annotation Excelside A Peak:m/z Relative Intensity 179.0410309 26.36 196.1619720 0.11 220.8569031 0.05 257.4081726 0.24 262.5624084 0.05 281.2574463 0.68 296.1319580 0.09 315.3196411 0.08 340.4146118 2.90 341.0335083 13.29 343.2184448 0.09 369.0509033 0.42 370.0929565 0.74 370.9749756 0.95 417.3189087 0.08 434.0590210 0.12 461.9996948 0.11 491.4480591 0.04 500.4365234 0.28 505.0642090 0.21 508.1246948 0.13 514.1687012 0.06 515.0757446 0.24 519.2974854 0.08 527.4136353 0.05 532.1482544 14.23 532.7943726 100.00 533.5979614 0.18 534.5488892 0.19 543.6638794 0.28 558.4408569 0.33 561.4479370 0.11 562.4821777 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 562.1569 Annotation Unknow Peak:m/z Relative Intensity 160.0173798 0.84 160.9556732 0.79 163.1469421 0.04 164.0176697 0.37 165.0248260 0.57 166.0351257 0.44 167.1763306 1.65 169.0383759 0.23 176.9419861 0.02 178.1437378 0.26 179.0245972 0.07 186.8982849 0.14 187.9899597 0.13 190.9458923 0.47 193.0906982 52.62 195.0065002 0.16 199.1597443 0.27 199.8802795 0.08 211.9796448 3.00 213.1046600 0.25 216.2315979 0.12 217.0635681 0.33 223.2131958 0.11 225.0961609 6.78 227.0627441 0.06 228.2909241 0.02 228.9931030 0.11 229.9859009 0.28 240.1047058 0.04 241.1421051 0.11 244.4509125 0.10 245.2369690 0.20 246.6357269 0.15 247.2802582 0.28 248.0315094 0.27 251.3971405 0.11 256.0292969 0.09 257.2189331 0.08 257.9648438 0.05 258.9156494 0.50 261.1921997 0.03 262.1298218 0.35 267.4038086 0.06 271.6033325 0.12 272.2382507 0.06 273.2286072 1.52 274.2356873 1.20 275.2380066 0.22 276.1936646 0.09 278.0431519 0.13 283.0151367 0.13 287.2990723 0.10 296.9721680 4.68 298.1937866 0.13 301.2404175 0.88 306.2008362 0.22 307.4553223 0.08 309.7344666 0.03 310.6428223 0.10 312.3758545 0.07 314.1654663 100.00 315.9962769 2.37 317.1864014 0.10 320.3983154 0.03 322.3428955 0.34 323.3077393 0.09 324.1057129 0.43 326.2360840 0.06 328.5046387 0.13 330.2091675 0.64 332.0542603 0.05 334.2452393 2.48 336.3931885 0.29 338.0300293 0.69 339.1214600 0.12 339.9359131 0.09 342.3431396 0.26 344.0573730 0.29 345.1012573 0.18 346.2631226 0.29 348.4559937 0.10 349.4913940 0.05 350.3191528 0.10 351.1337891 0.06 352.1110229 3.08 356.1956177 6.21 357.0651245 0.10 360.3616943 0.25 360.9730835 0.06 362.2338867 1.82 363.6658936 0.30 367.5863037 0.10 368.3416138 0.06 369.2539062 0.27 370.2027588 0.38 372.3255005 0.04 373.0004883 0.04 379.1154785 0.04 380.3787231 1.03 381.2491455 0.12 384.4739990 0.28 385.7004395 0.38 386.4235229 0.11 387.0516357 0.09 388.9009399 0.06 393.0958252 0.04 395.6216431 0.10 396.3734741 0.11 397.0336914 0.10 398.3926392 0.16 399.2700195 0.38 400.2080688 0.86 400.9417725 0.20 402.5502930 0.17 404.2938843 2.32 405.1469727 1.03 410.1444702 0.17 411.3413086 0.10 412.3505249 0.57 413.4525146 0.07 414.6368408 0.07 415.3307495 0.75 416.4735718 0.18 420.6811523 0.20 422.2778931 0.47 423.3818970 0.04 428.0812988 0.66 429.2522583 0.30 430.0706787 0.38 432.1825562 0.26 433.1822510 0.03 435.9437866 0.67 438.5546265 0.12 440.2389526 0.88 441.1409912 0.85 442.1334839 0.78 443.2789917 0.55 444.0867920 0.05 446.3499756 0.06 449.5284424 0.19 452.9158936 0.35 454.4398193 0.21 456.0989380 0.15 458.3845825 0.41 465.0295410 0.04 466.4298096 0.23 468.4041748 0.13 469.2164917 0.09 470.2095947 0.22 472.2052612 0.24 473.4113770 0.05 474.8362427 0.10 476.1267090 0.06 477.6253052 0.12 479.2248535 0.05 480.8375244 0.06 482.1197510 0.33 485.1167603 0.15 487.3498535 0.86 488.3181763 0.10 493.0374146 0.17 494.2928467 0.36 494.8948364 0.06 495.6578979 0.09 497.7185669 0.44 498.7133789 0.32 500.0027466 0.42 501.0609741 0.33 502.5519409 0.78 503.5185547 0.15 504.4515381 0.20 506.1111450 0.21 507.1608276 0.06 508.2526245 1.66 509.2762451 0.10 512.3530884 0.63 513.2112427 0.04 514.0447388 0.25 515.1463013 0.44 516.1068726 1.20 517.4385986 0.17 518.4299927 0.09 519.9300537 0.03 521.0086060 0.53 523.8616333 0.25 526.0815430 12.47 526.8696289 0.04 528.1980591 0.14 529.4177856 0.40 530.2107544 0.21 531.3099976 0.22 532.2964478 2.11 534.6022949 0.22 537.7147217 0.21 538.9328613 0.22 539.8358765 0.44 541.6006470 0.27 544.0773926 28.84 544.7822266 0.21 547.4132690 0.45 548.6331787 0.18 549.4270020 0.10 550.2044067 0.40 552.2825317 1.96 553.3908081 0.53 553.9994507 0.63 555.9131470 0.08 572.8934326 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1263.6003 Annotation Lablaboside C Peak:m/z Relative Intensity 391.0622253 0.01 395.5076294 0.02 422.8749390 0.05 467.2606812 0.80 468.4006348 0.07 471.4059448 0.22 472.8978271 0.09 567.3807983 0.07 593.1933594 0.03 593.8145142 0.04 615.4699707 0.12 616.4274292 0.04 620.5524902 0.01 631.6604004 0.04 632.9799805 0.29 633.6201782 2.64 634.4284668 0.21 658.0533447 0.02 675.6699219 0.01 729.4747314 0.08 731.4948120 0.02 741.5280762 0.12 742.4575195 0.01 777.4979248 0.69 778.4620361 0.07 793.6245117 0.29 795.4860229 100.00 796.5802612 16.71 837.4545288 0.94 838.5770264 0.32 859.3215332 0.01 877.6019287 0.25 878.4946289 0.03 895.7243652 0.04 939.3703613 0.08 962.5844727 0.10 1000.6997070 0.02 1084.0812990 0.02 1101.6409910 0.03 1119.7170410 0.20 1120.4652100 0.02 1161.8458250 0.08 1162.8544920 0.03 1204.2204590 0.01 1230.6871340 0.07 1245.4592290 0.02 1246.1359860 0.03 1246.8026120 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 626.69 Annotation Unknow Peak:m/z Relative Intensity 206.9003601 0.32 290.8079834 1.50 374.4929810 0.50 375.2660522 0.01 451.0116577 0.01 458.5949097 12.17 459.3454590 0.04 461.0491333 0.02 473.3572388 0.04 490.6376953 0.11 496.8325806 0.02 520.5507202 0.31 521.2127075 0.01 540.2235718 0.03 542.5551147 100.00 543.2689819 0.37 544.6328125 0.05 562.7875977 0.03 566.6636963 0.36 580.4857178 0.37 593.9622192 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 567.1556 Annotation Unknow Peak:m/z Relative Intensity 167.0420685 0.06 175.0798645 0.02 180.8778076 0.03 182.0542603 0.74 182.9653473 0.03 195.8838196 0.02 197.0302734 7.26 198.2102051 0.11 206.3695679 0.06 207.1817627 0.07 208.9432678 0.05 211.1498108 0.18 224.0852356 0.01 231.2144165 0.01 239.1709900 1.29 240.2119598 0.01 269.1586304 0.59 272.0770569 0.01 299.2010498 1.13 300.2587280 0.04 306.9852295 0.01 310.9967957 0.02 323.1176147 0.03 325.2497559 0.04 341.0527954 0.05 345.0347900 0.04 359.1359253 100.00 360.2125244 1.76 373.1381226 0.02 376.0291138 0.03 387.1875610 0.51 400.0802002 0.16 400.9013062 1.15 401.8330688 0.03 404.8602295 0.09 406.1955566 0.01 413.5055542 0.05 427.2504272 0.02 429.9331055 0.02 430.6672974 0.02 431.3903809 0.05 449.3969727 0.01 451.2910767 0.03 458.7757568 0.02 460.0711670 0.06 460.7034302 0.41 461.3364868 0.03 462.8374023 0.03 465.3431396 0.05 471.0647583 0.02 477.9315186 0.02 499.5823364 0.02 502.9562988 0.08 504.3032837 0.03 507.2322388 0.37 508.3129272 0.07 518.4830933 0.04 520.2503662 3.98 520.8568115 38.11 521.8821411 0.83 524.3952026 0.08 529.5625610 0.02 532.6917114 0.04 533.2920532 0.02 536.8646851 0.03 549.1648560 0.06 550.1969604 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 432.1076 Annotation Unknow Peak:m/z Relative Intensity 126.9747620 0.05 127.9630280 0.20 130.1274719 0.02 135.2021484 0.02 151.0445557 0.03 154.7862396 0.12 161.0357819 0.03 177.0677490 0.08 179.0466614 0.06 181.1113281 0.05 186.8343201 0.02 190.0444641 0.04 191.8736115 0.06 209.0845032 0.11 210.1263428 0.21 213.0442505 0.30 217.0949860 0.02 222.1668854 0.06 232.0168457 0.26 251.0481262 0.12 252.1752014 0.19 254.2031250 0.42 261.3201294 0.02 265.0071716 0.07 266.2622681 0.03 270.1920166 0.05 272.2294617 1.60 284.1912231 2.48 285.1799316 0.27 288.2324829 1.00 290.2603760 0.03 297.5858765 0.03 301.2404785 0.02 302.3264771 0.05 306.1076050 100.00 308.2286987 0.03 310.0962830 0.10 330.3850098 0.04 337.0013428 0.33 341.1726379 1.39 342.0661621 0.26 344.2254028 0.06 357.1891479 0.13 367.0398865 0.06 368.8784180 0.05 380.7762756 0.02 382.8177490 0.10 385.2259827 0.35 386.3583679 0.09 387.2745056 0.17 388.2514648 0.36 389.1927490 0.06 395.3648987 0.09 398.4977112 0.01 401.9112854 0.42 413.2647400 1.13 414.3665466 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 498.2592 Annotation N1,N10-Diferuloylspermidine Peak:m/z Relative Intensity 143.9093018 0.10 145.0338135 2.21 145.9930573 0.05 147.2794342 0.12 154.2783508 0.17 155.1305542 1.26 156.0268402 0.10 156.9397430 0.23 158.9710999 0.02 162.1105652 0.03 169.3766479 0.11 172.0622101 2.23 172.9858551 0.37 175.1783447 0.20 176.9833679 18.18 178.0570679 1.97 179.0476227 0.03 198.1741638 1.00 199.2603912 0.09 206.0605621 0.34 207.0392914 0.66 212.1183777 0.28 216.0340424 0.04 218.0863647 0.45 219.0747681 0.25 220.0370636 0.16 223.3415833 0.09 234.0793457 100.00 235.1143188 15.84 236.0979767 0.35 237.3344421 0.03 248.1132507 6.71 249.0766602 1.41 251.1620789 2.51 252.0738831 0.28 264.2299194 0.94 265.1317444 0.74 269.9322815 0.09 275.2699585 0.08 276.3063354 0.11 277.4237061 0.22 284.1918640 0.09 285.2790527 0.04 291.1286011 0.11 292.3687439 0.64 294.3973999 0.05 295.4280090 0.14 298.3085632 0.16 299.9039917 0.05 303.2497864 0.42 304.3078613 8.67 305.2264709 11.31 306.2875977 1.76 309.0931091 0.06 312.6546936 0.10 314.2578735 0.03 322.2051697 70.97 323.2705078 17.75 324.3867798 0.21 330.9284973 0.35 332.2526855 0.16 336.3009644 0.04 345.2574463 0.03 347.4609070 2.31 348.2086792 6.85 349.3008118 1.37 352.4331665 0.26 359.5898132 0.15 360.5472412 0.07 368.2072144 0.05 378.0936890 0.08 399.3513794 0.44 400.3254700 0.15 401.7828674 0.09 410.1011658 0.11 423.5287781 0.05 427.2424622 0.67 428.0148926 0.09 428.6278992 0.18 432.9100952 0.09 439.3681335 0.11 453.1712952 0.12 456.2804565 0.19 461.3184204 0.08 480.3812866 8.11 481.3279114 22.07 482.3602600 7.91 483.6288757 0.69 484.3253479 0.07 489.4951477 0.06 490.6777039 0.09 492.1437683 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 725.3951 Annotation Gingerglycolipid C Peak:m/z Relative Intensity 277.4741821 0.02 279.4970398 0.10 281.6199341 0.10 295.3872070 0.06 305.0320740 0.09 397.1918335 6.73 409.0762939 0.07 415.2889404 1.12 541.1563110 0.01 563.4465332 0.05 603.7742310 0.03 610.3451538 0.06 642.3486938 0.07 679.3076782 100.00 681.0266724 0.07 681.7046509 0.02 688.4357300 0.04 698.7561035 0.08 725.5580444 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 855.4064 Annotation Unknow Peak:m/z Relative Intensity 241.1457825 0.10 244.1661377 0.08 254.1142273 0.07 260.9856567 0.32 267.2819824 0.11 268.3528442 0.11 271.0104675 0.04 277.0693665 0.18 286.2730713 0.04 298.2662659 2.08 320.0094604 0.05 326.3079834 0.49 338.3139038 0.64 340.3504028 0.05 343.1597900 0.05 351.3058777 0.26 356.6535645 0.18 358.3041382 36.23 363.2201538 0.20 364.3986206 0.10 369.1980896 0.17 377.5242920 0.19 381.2285156 0.40 383.3093872 0.08 391.4640503 0.04 395.2628174 0.06 397.3418579 0.27 405.1802979 0.04 409.1345215 2.84 411.1621094 0.31 413.3243408 0.33 423.5021362 0.24 424.3372192 0.04 427.2229614 0.34 429.2789917 4.94 452.3565674 0.65 453.4862061 0.08 456.5906372 0.04 466.4578857 0.05 468.3359375 0.16 470.2994385 0.47 478.2138062 0.05 480.0453491 1.92 482.3554688 0.06 487.9651489 0.17 494.3099976 2.67 498.3277588 20.42 526.1987305 0.05 551.4573364 0.15 552.2980957 0.04 559.4301147 0.33 561.1071777 0.04 577.0785522 0.58 577.7692261 0.07 578.5818481 0.13 579.1954346 0.07 584.2393188 0.12 587.4391479 0.12 595.3862305 2.58 604.4801636 0.10 607.5447388 0.09 611.1303101 0.03 621.7243042 0.06 623.5029907 0.63 627.1528931 0.06 633.6468506 0.04 637.1864014 0.44 639.1788940 0.09 647.8102417 0.03 655.3491821 100.00 656.1585083 0.59 657.7496948 0.29 667.5492554 0.22 673.9760132 0.03 676.3477173 1.27 686.2351685 0.35 688.0549927 0.28 690.0142212 0.04 692.3368530 0.14 694.4152832 20.48 697.4514771 0.25 702.0421753 0.32 707.5024414 0.11 708.3724976 0.10 717.6372681 0.42 719.1384888 0.15 726.6623535 0.75 733.7482910 0.18 738.7694092 0.09 740.3887329 0.27 741.6332397 0.35 744.5258179 0.14 748.6387939 0.28 750.4978638 0.14 755.4073486 0.54 757.7061768 0.64 759.2643433 0.10 760.5829468 0.13 764.6355591 0.14 766.6401367 0.08 767.5938110 0.43 769.5020142 0.25 773.1885376 0.28 774.2949829 0.49 775.0397339 0.11 777.4590454 0.06 779.9267578 0.19 781.9347534 0.13 784.4241333 0.10 788.8453369 0.09 791.4952393 0.04 795.6570435 0.15 797.8945923 1.41 801.5634155 0.33 802.9544067 0.48 804.3572388 0.14 805.1698608 0.07 811.5706177 0.04 819.6788330 0.13 820.3079224 0.30 823.1278687 0.62 823.7990112 0.83 826.9371948 0.24 828.5134277 0.08 830.1697998 0.42 830.9765625 0.52 834.0454712 0.15 837.3508301 3.05 838.2960815 0.38 846.1275024 0.55 855.7249146 0.24 856.8218994 0.03 869.1052856 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1411.6394 Annotation Juncin K Peak:m/z Relative Intensity 420.3597107 0.02 422.4840698 0.02 425.3752441 0.03 467.2561646 0.53 487.4924316 0.03 545.1560059 0.05 619.4041748 0.22 629.2664795 0.04 677.5968018 0.03 706.8541260 0.01 709.5312500 0.03 737.6052246 0.01 745.0516968 0.02 756.9292603 0.03 761.7307739 0.02 763.5578613 0.23 764.8313599 0.04 779.8905029 0.01 780.6318359 0.04 781.5211792 2.32 782.7475586 0.19 787.9816895 0.04 823.4727173 0.03 865.5903931 0.03 899.3026123 0.03 907.5844727 0.07 925.5445557 2.87 926.5113525 0.29 941.3128662 0.02 943.5129395 100.00 944.5859375 9.05 985.5645752 1.05 986.4807129 0.15 1025.5638430 0.45 1026.5516360 0.04 1051.6640620 0.03 1087.7036130 0.03 1190.1343990 0.01 1207.3835450 0.01 1231.2976070 0.13 1249.3269040 0.13 1249.9737550 0.01 1267.2796630 0.11 1268.5139160 0.02 1309.4808350 0.06 1350.3946530 0.08 1367.6340330 0.13 1381.3439940 0.06 1393.4418950 0.14 1394.3457030 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 503.25 Annotation 3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 141.9580994 0.14 142.7175903 0.09 143.9266815 0.20 146.1217194 0.25 146.9736786 0.04 148.9816895 18.40 150.0544128 8.31 151.0721283 0.82 159.0955963 0.04 159.8808594 0.03 162.9620056 1.21 164.0135193 0.80 164.9785461 0.53 166.0918884 0.04 170.4758911 0.23 171.1885529 0.10 173.0127869 0.09 177.2651672 0.04 181.0362549 0.04 181.9835815 0.05 186.9621277 0.07 188.0506287 1.55 189.0330505 0.66 190.0225830 0.85 191.1088562 0.16 193.0603333 0.08 194.0412903 0.38 199.1440125 0.11 203.7734070 0.05 206.4804993 0.08 207.2833862 0.21 208.2726440 0.12 209.0880432 0.17 215.2029114 0.26 216.2252808 0.30 217.2984619 0.13 218.1775970 0.15 218.9861755 0.04 220.8670349 0.05 222.9059143 0.14 227.2731171 0.10 231.0234070 0.12 232.4076385 0.17 233.1798096 0.51 234.0872498 4.04 235.0707397 3.41 236.0999603 2.27 237.1480103 0.06 239.4205780 0.06 241.4193420 0.18 242.1333466 0.09 249.0763855 3.19 251.0513916 100.00 252.0703278 74.68 253.0607910 50.71 254.0504456 4.77 257.2254028 0.07 258.2548828 0.13 260.2199402 0.12 265.2815552 0.05 265.9071350 0.05 267.2894897 0.02 270.9034119 0.27 274.4440918 0.02 284.0476074 0.18 294.2589111 0.08 295.2011108 0.13 301.1615906 0.19 307.1706543 0.08 308.0432739 0.07 310.0159302 0.15 316.8858337 0.06 321.4896240 0.09 323.1640015 0.08 324.0098877 0.04 326.2803955 0.37 327.9644775 0.04 335.2096252 0.08 336.1921387 0.22 337.2056274 0.41 341.2961731 0.05 342.3168640 0.24 346.6412354 0.03 347.3143921 0.04 354.0804443 2.05 355.1303101 5.03 356.1424561 1.72 357.4006958 0.04 364.3551025 0.19 365.3133850 0.42 366.2786255 0.04 368.9934387 0.08 370.3343201 0.24 371.3829956 0.90 372.2875366 10.41 373.1420288 25.66 374.1640625 10.79 381.2048340 9.26 382.1564941 20.84 383.1638794 12.47 384.0927429 0.07 385.1013489 0.03 397.2876892 0.08 398.5589905 0.03 399.3036194 0.06 400.2307434 1.13 401.2915649 0.58 405.6101990 0.11 406.3692322 0.08 408.3391418 0.16 412.3020325 0.13 413.3441772 0.08 414.3355103 0.02 415.5135193 0.07 416.4424133 0.06 417.2778320 0.02 418.2337952 0.21 419.2764282 0.13 421.1257935 0.08 429.8620911 0.14 431.1084900 0.11 432.0278625 0.04 433.9454346 0.22 435.6533813 0.02 438.3599854 0.02 439.3959961 0.20 450.7953186 0.15 454.9809570 0.07 457.2065125 0.05 458.3787537 0.11 459.2897034 0.04 465.8917236 0.06 467.0550232 0.51 467.9171753 0.07 469.4285278 0.21 471.1843872 0.11 474.3076782 0.08 479.5704041 0.06 484.1171265 36.32 485.1447449 17.63 486.1523743 0.69 493.4883728 0.57 494.1706238 0.12 505.6386108 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 537.1453 Annotation Unknow Peak:m/z Relative Intensity 160.9475403 0.10 167.0354919 6.48 194.1729736 0.17 208.0648804 0.21 209.0890961 1.04 226.2897797 0.08 239.2131195 0.73 244.1822205 0.07 257.1052856 0.10 269.1456604 2.30 302.0214844 0.07 304.8438721 0.09 329.1163330 100.00 341.2141724 0.11 344.3419800 0.41 357.1677856 0.66 359.1093750 0.29 368.9977417 0.10 369.7531738 0.18 370.7088623 0.97 375.0300293 0.73 399.7831421 0.16 400.4471436 0.07 408.4369507 0.07 414.5254517 0.33 418.4729004 0.49 422.3275757 0.11 429.3789062 0.19 430.6860962 2.00 431.3262329 0.08 443.7436523 0.09 445.6356201 0.15 473.0646973 0.14 474.3997803 0.15 475.0557251 0.03 477.2552490 0.51 485.5277710 0.22 490.8558960 44.34 491.7653809 0.87 492.6799927 0.38 499.2821655 0.07 501.1765137 0.08 518.2733765 0.56 519.3590088 1.28 520.6716919 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 600.2224 Annotation Unknow Peak:m/z Relative Intensity 177.0432129 0.21 179.0158234 1.31 184.9089661 0.18 192.2406616 0.07 197.0675964 0.07 210.2344971 0.92 212.8670807 0.05 224.1405334 0.19 231.0719147 0.28 236.1758423 0.07 236.9804840 0.07 242.2086334 0.24 254.1895752 7.21 272.1317139 5.34 288.1151733 4.98 306.1759644 100.00 308.0652466 0.08 321.4875488 0.04 323.9912109 0.17 346.9458618 0.10 353.3930054 0.11 354.4656372 0.06 401.6756592 0.19 402.5870361 0.09 419.2001343 0.10 467.4678345 0.16 473.3945923 0.03 484.1229248 0.63 507.9972534 0.20 538.3220825 0.26 540.5610352 0.21 550.9226074 0.04 552.6814575 0.14 554.2753296 0.05 555.1892700 0.31 561.2659302 0.30 568.8439331 0.32 581.6720581 0.74 582.5103149 0.30 583.6387939 0.11 590.7612915 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 393.2157 Annotation Capilliposide B Peak:m/z Relative Intensity 119.0321045 0.27 123.0205383 0.46 127.0364227 0.32 129.0817108 0.29 129.9761047 0.34 131.1712646 0.05 136.0097656 11.25 137.0089569 0.51 144.0259094 0.05 144.9524841 0.08 146.8695374 0.55 147.6938782 0.15 149.0355988 0.10 149.7644958 0.05 155.0003815 0.11 164.0005798 0.09 165.0184326 2.63 166.1219482 0.32 167.1050720 0.09 168.9718628 0.07 171.0744324 0.12 173.0324249 0.45 182.0032043 5.91 183.1557007 0.35 184.9229126 0.07 200.0475616 0.23 201.2565002 0.20 214.0613708 0.04 223.1751404 0.36 226.3972168 0.05 230.2382202 0.14 231.0013428 0.58 233.1806335 0.46 234.0126648 0.09 243.2401733 0.05 245.0954285 0.04 246.7714539 0.10 252.2677002 0.40 253.4172363 0.07 254.1239624 0.13 255.1906738 0.07 258.2268372 0.14 261.2017822 0.69 266.2479858 0.08 279.1029663 24.96 280.0811768 1.10 281.0636902 0.06 286.2393799 0.24 286.9850464 0.28 287.7022095 0.34 288.3511658 0.16 290.2825623 0.04 300.8757935 0.46 301.5908813 0.10 306.5611877 0.18 307.7852173 0.26 308.4075317 0.16 310.7849121 0.22 311.3901978 0.15 316.5255432 0.18 317.6611023 1.13 319.2881470 0.16 325.7791138 0.18 327.0050659 0.09 328.1754150 0.20 329.0245972 0.14 330.0726318 0.09 332.7069092 2.34 333.5476379 0.34 335.6135559 0.19 339.3130493 0.08 348.1485596 0.20 355.1242981 0.11 357.0284729 0.04 365.3601074 0.05 372.0054321 15.91 372.8516846 0.26 373.6448059 0.17 374.6422424 0.66 375.4322205 0.07 376.2275696 0.37 378.0372925 55.43 378.9427185 2.10 379.9142761 0.30 380.6081238 0.21 381.5959167 2.81 384.2104492 2.17 385.7454834 6.54 386.7534485 1.84 388.5165100 0.26 408.2941284 1.94 408.9836731 0.03 414.9995117 0.12 423.2448730 0.15 425.2705994 0.43 427.4322815 0.81 431.0304260 0.12 432.5854797 0.08 434.4748840 1.20 436.4703064 0.15 440.3696899 0.20 441.3200989 5.05 442.1929321 0.15 450.4320679 99.78 451.6510315 0.47 453.0604858 0.17 455.2814636 0.29 459.3444519 0.21 460.6928101 0.07 466.5121765 0.11 467.3280640 0.09 474.2488403 0.58 475.6430969 0.16 476.4888000 0.21 477.4107361 0.20 481.1099243 0.80 484.1940002 0.21 489.8437195 15.21 490.4702759 2.05 495.5444946 0.07 496.3663635 0.30 498.9807434 100.00 499.9637146 0.49 501.4123230 0.23 502.6736755 0.16 503.6130676 0.23 508.0417175 0.37 509.4182434 3.51 510.0828552 1.19 510.8464050 0.68 514.3872070 0.36 515.2598267 0.16 516.6558228 0.16 526.4390869 0.23 529.8500977 0.08 543.5178833 0.05 544.6555786 0.16 545.5682983 0.17 547.4694824 0.19 552.3362427 0.29 558.4122925 0.46 565.7805786 0.11 571.3659058 0.28 572.9618530 0.20 585.2512817 0.08 589.7665405 0.08 590.6788330 0.08 599.5057983 0.12 600.4154053 0.20 602.3406372 0.06 608.3041382 0.10 614.4078979 0.62 615.1754150 0.17 628.1038208 0.12 632.7521973 0.08 635.5358887 0.16 642.5457153 0.09 643.7192993 0.08 653.4061890 0.05 664.3550415 0.06 669.8123779 0.12 671.5839233 0.31 672.3927002 0.09 673.2734985 0.56 675.4500122 0.07 680.8981323 0.08 685.5300903 0.16 692.6971436 0.22 700.4244385 0.84 703.6619263 0.37 709.6809082 0.17 726.2125244 0.20 728.9776611 0.38 740.4555054 0.34 742.6138916 0.59 750.3224487 0.05 754.7935181 0.07 756.2742310 0.44 770.6832886 0.55 772.7045288 0.11 798.8610840 0.35 800.3943481 0.32 801.6284790 0.11 828.7106934 0.27 839.4104614 0.23 855.8373413 0.13 856.7744141 0.09 867.6200562 0.34 881.5598145 0.15 882.9035034 0.15 899.3524780 0.45 900.0009766 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 355.0669 Annotation Caffeic acid 4-O-glucuronide Peak:m/z Relative Intensity 110.9067459 0.83 122.8515015 0.11 128.3136597 0.15 129.0523376 1.79 130.1682739 0.10 143.1973572 0.07 145.0775146 0.06 147.0106049 3.37 163.0618591 0.43 165.0341797 0.08 168.9467010 0.55 173.0331573 2.80 173.8458099 0.28 174.9389648 0.05 179.9973145 0.07 184.1845093 0.18 186.0717773 0.06 189.0694122 0.15 190.9701691 100.00 206.0591431 0.33 209.0997467 31.94 210.2021484 0.10 212.1774902 0.10 220.2658386 0.07 225.1779785 0.14 227.0562439 0.20 233.3188171 0.15 234.3744812 0.06 238.2134705 0.07 245.4245911 0.09 262.9215088 0.07 265.4558716 0.05 267.4446411 0.08 274.2214966 0.10 275.2059326 0.31 295.1081238 0.33 296.3060303 0.15 309.1278992 0.42 311.3952332 0.40 313.5440674 0.14 319.1557617 0.24 320.0603638 0.15 325.3766785 0.25 336.1706543 3.25 337.1193542 12.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 233.15 Annotation Threoninyl-Leucine Peak:m/z Relative Intensity 70.1326447 0.03 71.9113312 1.80 74.0768051 0.09 82.8842316 0.03 85.9624329 0.20 92.6918335 0.07 95.0226135 0.06 97.1640778 0.04 99.0825500 0.07 106.9638214 0.02 108.9489136 0.06 113.1952209 0.02 115.8952942 1.22 118.0945892 0.11 119.9730988 0.10 121.1654205 0.08 125.5237732 0.08 126.8967133 0.20 128.9766235 0.04 129.8717804 0.07 131.0674133 0.23 133.9761810 44.07 135.0841370 0.03 136.0353088 0.14 137.0026398 0.08 138.8757629 0.07 142.7823486 0.02 144.0737457 1.22 144.7256927 0.04 146.0702362 0.03 147.1022034 0.12 149.0205688 0.27 150.9588165 0.17 155.1930695 0.04 158.2209473 0.12 159.0344849 0.27 160.1028900 0.03 161.0625153 0.11 162.0878754 0.11 162.9191437 0.04 164.4367981 0.01 165.0770721 0.04 166.8994598 0.07 169.0163879 0.07 170.9513855 0.07 171.9828491 0.44 173.0903778 0.49 174.0085602 0.04 175.0154266 0.02 177.0572662 0.39 178.6291504 0.07 185.0717316 0.10 186.2454224 0.13 187.1409149 1.05 188.2002258 0.08 189.0883179 0.39 191.1990051 1.99 191.9599609 5.60 194.9884796 0.12 196.9896851 0.24 201.1121216 1.86 203.9903107 9.66 205.0316162 1.47 205.7114105 0.06 206.3630829 0.09 208.4967041 0.02 209.8374176 1.40 210.7518768 0.04 212.8493652 0.18 215.0565643 100.00 216.0856018 0.16 217.4142303 0.39 218.0619965 0.56 224.4746857 0.31 232.9726410 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 516.1567 Annotation Piperacillin Peak:m/z Relative Intensity 156.4767914 0.08 157.0811005 0.37 158.9954681 0.15 160.2628174 0.17 161.2092896 0.42 170.9767303 0.08 178.9879150 1.02 193.0374908 0.03 220.8731384 0.04 229.1581726 0.04 249.1251831 0.33 257.3355713 0.17 272.8652344 0.11 275.2592163 0.92 285.3056030 0.06 293.2190552 67.71 319.0946655 0.72 337.1096802 100.00 337.7686157 0.58 342.2028809 0.03 413.0828857 0.12 431.0247803 0.12 470.3678589 0.03 472.4093628 1.17 498.4125366 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 517.1409 Annotation Scytonine Peak:m/z Relative Intensity 156.8041382 0.04 172.9748535 1.06 174.9777069 100.00 191.1793060 0.05 205.9272461 0.07 254.0947571 0.08 311.2151489 0.11 325.3164062 0.61 335.3101807 0.02 336.1419067 0.02 337.1690674 0.14 339.1708984 0.05 341.0697632 1.15 342.1466064 0.34 343.0963135 1.81 354.3202515 0.13 431.2330933 0.02 443.4550171 0.02 455.3093872 0.07 468.3422241 0.10 471.2358398 0.04 473.4395142 0.04 499.2803955 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 879.4728 Annotation Carriebowmide Peak:m/z Relative Intensity 425.5046387 0.11 471.7089844 0.21 499.4063110 0.10 579.2379761 0.28 593.7012329 0.07 615.3901978 2.26 622.4799194 0.05 631.3123779 0.07 633.5213013 3.48 651.9059448 0.13 657.5200806 0.17 675.3779297 1.07 681.7443848 0.15 713.4804077 0.30 717.6066284 0.12 719.0953979 0.10 729.7671509 0.13 741.4739380 3.09 742.1211548 0.21 759.5166016 2.86 763.5199585 0.07 777.5848389 11.19 795.5819092 2.01 796.9025879 0.13 811.0750122 0.15 819.4224243 69.33 820.1073608 0.51 822.8331909 0.09 833.0900879 0.16 835.5666504 0.76 836.8716431 11.57 837.5352783 100.00 848.7852173 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1023.2963 Annotation Unknow Peak:m/z Relative Intensity 361.2962036 0.02 437.2985840 0.07 541.1625977 0.11 555.7035522 0.02 559.2512207 0.04 560.3197021 0.03 565.2552490 0.08 583.0780640 0.02 584.0935059 0.03 643.2560425 0.51 644.2032471 0.27 668.1505127 0.03 685.1116333 0.46 686.4375000 0.05 718.1452637 0.05 736.0508423 0.02 759.3196411 0.12 777.1843872 0.48 778.3077393 0.15 801.2236328 0.22 801.8681641 0.08 819.2873535 7.43 820.3967285 1.92 844.2933350 0.02 861.2619629 100.00 862.3060303 22.00 875.2987061 0.20 903.2938232 2.71 904.2935791 0.78 939.3682861 0.01 940.1848145 0.04 943.7197266 0.02 946.4327393 0.04 963.3142090 0.18 964.3890381 0.20 981.3380127 0.59 982.6520996 0.07 987.1697998 0.03 990.7529297 0.03 991.6674805 0.09 995.1743164 0.03 1000.9941410 0.11 1005.4541020 0.28 1006.4176030 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1131.5225 Annotation Sinocrassuloside II Peak:m/z Relative Intensity 323.1417542 0.25 365.3287964 0.31 398.2262268 0.33 402.0161743 0.18 407.0722046 0.28 425.3580322 0.13 427.3473511 0.18 439.4195862 3.26 467.1626587 3.78 471.3569336 0.17 483.7574463 0.25 501.5682373 1.02 511.5280762 0.08 528.5848389 0.04 543.4903564 0.71 601.5913086 0.13 604.3962402 0.16 615.6279297 0.17 619.5878906 0.29 621.4215088 0.10 643.3537598 0.05 645.4284668 1.19 646.0468140 0.07 649.3085327 0.14 661.2016602 0.07 661.8395996 0.16 663.4135132 55.36 664.0140381 0.88 672.8626709 0.08 677.4461670 0.56 705.3557129 1.92 825.5069580 0.69 837.5354004 0.22 915.1821289 0.18 948.9644775 0.23 964.6711426 0.08 969.1020508 0.05 985.5377197 0.51 987.4536133 100.00 988.1065674 0.59 998.5156250 0.04 1004.3791500 0.30 1029.5402830 22.06 1051.4062500 0.04 1069.5531010 11.73 1071.6953120 0.93 1087.1433110 0.51 1089.6929930 1.01 1094.7478030 0.44 1100.7215580 0.33 1112.0633540 0.18 1113.3503420 0.69 1115.4819340 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 864.4464 Annotation Unknow Peak:m/z Relative Intensity 246.5429382 0.02 264.0635376 1.61 264.6745911 0.01 266.3355713 0.11 270.2038574 0.02 281.1758423 0.04 291.3641052 0.02 306.5368042 0.02 316.9570923 0.02 321.3437195 0.13 333.1673889 0.02 360.8545532 0.10 362.8817749 0.02 367.1068420 0.10 378.1040039 0.10 420.4075317 0.02 434.4337158 0.05 452.5019531 0.02 466.0333252 0.09 477.4705811 0.04 478.5716553 0.05 486.4646606 0.03 487.1307373 0.05 492.0750732 0.06 503.3142090 0.11 521.1290894 0.08 528.2851562 0.01 531.0950928 0.09 535.2880249 7.32 540.4194946 0.11 549.4318237 1.60 553.8614502 0.01 557.5045776 0.07 561.4530640 0.19 579.1607666 0.20 581.3782349 0.05 582.6205444 0.02 592.4917603 0.07 599.9472046 0.12 600.6391602 0.03 634.4444580 0.07 652.4084473 0.20 659.3601685 0.02 666.4437866 0.02 671.2059326 0.06 675.6629028 0.03 696.5452271 0.14 699.4381714 0.02 720.4093018 0.02 749.5554199 0.03 761.6433105 0.02 775.5142822 0.02 778.3949585 0.08 788.7398071 0.32 793.5696411 0.22 798.9528809 0.04 802.4492798 0.53 816.4411011 0.07 820.5405884 100.00 825.6815186 0.03 827.3847046 0.03 828.8145142 0.08 832.8197021 0.26 833.8295288 0.28 834.6439819 0.02 840.9890747 0.16 841.8894653 0.13 842.6071167 0.04 846.3593140 0.78 847.3724976 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 418.2014 Annotation Unknow Peak:m/z Relative Intensity 123.9926453 0.10 124.9486465 0.08 129.0161438 0.16 133.0900421 0.09 136.0551300 0.12 143.4502869 0.38 144.0814972 1.06 145.0243073 0.09 152.1647034 0.15 157.9057312 0.03 161.1104126 4.83 162.0664368 0.50 167.8777618 0.11 170.0195923 0.23 172.1613159 0.06 172.8763123 0.11 184.4895020 0.12 185.1377563 0.67 190.8980255 0.19 192.2075195 0.03 193.1826172 0.09 195.0696259 0.39 196.1244354 0.09 201.8654785 0.25 212.0245361 2.75 213.0771942 2.01 214.0467987 0.19 216.2635345 0.05 218.2341919 0.04 219.2135620 0.05 226.9599152 0.06 230.0246582 7.28 231.1385498 0.80 232.1624603 0.15 237.0389709 0.02 242.2421875 0.05 247.2778015 0.08 248.9403381 0.11 254.2354736 0.03 256.3067627 0.21 260.2742310 2.91 261.2594299 1.03 268.4473877 0.28 269.1190796 0.08 270.2241821 0.04 273.4122620 0.05 280.3647156 0.11 284.5218506 0.06 286.1546021 0.03 287.2188110 0.66 288.0339355 0.07 290.3571777 0.28 291.4216919 0.09 294.5883789 0.06 298.1847534 0.07 299.2289429 0.08 311.6843262 0.79 325.0323486 0.11 327.8551025 0.14 329.2705078 0.13 330.2673950 0.06 332.0357361 0.13 342.2039795 0.04 343.5741272 0.43 344.2973328 0.27 352.0336914 0.40 352.9962158 0.58 354.9281006 0.04 359.1802368 0.08 360.8767700 1.18 361.6825867 0.04 362.4807739 0.24 368.7669067 0.04 370.1357727 0.85 371.0779724 1.36 372.0475769 0.31 373.2941895 0.15 375.9690857 0.29 377.0150452 0.27 384.7157593 0.07 385.5568848 0.04 388.1648254 2.14 389.0499268 0.26 389.9736938 0.06 390.9035645 0.20 391.5962219 2.58 392.4117737 1.29 394.4057617 0.47 395.4329529 0.10 400.5898132 35.36 401.2771606 4.80 401.9451599 0.55 403.1123657 0.06 404.3403015 0.07 405.4456177 0.12 406.2967224 0.32 407.3052979 0.57 408.1729736 0.21 409.4759521 100.00 410.3955078 10.62 411.6849060 0.46 413.0951538 0.40 414.7727356 0.12 428.0115967 0.10 431.7785950 0.05 441.4229431 0.03 445.9328308 0.10 448.3341675 3.15 449.1201477 0.84 457.4374695 0.25 465.0112000 0.13 466.7527466 0.31 474.1749573 0.25 478.2275696 0.10 483.0467224 0.45 484.2842712 0.44 495.6031189 0.16 496.2578430 0.07 497.4362183 0.09 498.4601440 0.09 505.3974915 0.18 507.8668518 0.73 508.6371460 0.39 509.4967346 0.11 514.2405396 0.47 522.1821899 0.36 525.4462280 0.23 527.2971802 0.04 529.0967407 0.13 533.2288208 0.42 535.1692505 0.30 541.1730957 1.17 542.4672241 0.02 543.3146362 0.26 544.6409912 0.17 546.5984497 0.18 547.7842407 0.20 549.3613892 0.94 550.5333862 0.23 554.1427002 0.05 558.4559937 0.65 559.3823853 1.35 560.2324829 0.16 561.1867065 0.09 561.9056396 0.11 567.4407349 0.19 572.1611938 0.38 576.2600708 0.80 577.3511963 0.34 578.2217407 0.22 580.3492432 0.03 585.9356079 0.06 588.5454102 0.87 589.4179077 0.14 590.6565552 0.06 603.0825195 0.12 606.4390259 13.94 607.4384766 4.03 608.3374634 0.13 614.1894531 0.10 618.3836060 0.10 621.1883545 0.31 622.2819214 0.21 623.0676880 0.07 629.8788452 0.03 631.2944336 0.06 639.3370361 0.23 640.2276611 1.99 641.3118896 0.84 649.2056885 0.03 652.6266479 0.16 658.2036743 8.54 659.2727051 1.79 660.1687622 0.07 664.4275513 0.13 667.6331177 0.02 675.2939453 1.80 676.3384399 0.27 677.0362549 0.11 681.3082886 0.10 684.5473633 0.07 685.5361938 0.42 686.5609131 0.10 694.7595215 0.03 702.3447876 0.08 704.7677612 0.10 707.2920532 0.04 713.3923950 0.39 714.5043335 0.07 715.7539673 0.04 717.3528442 0.12 718.4165649 0.03 721.6268921 0.22 730.4109497 0.17 731.3879395 0.07 733.6078491 0.06 735.1708984 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 337.0562 Annotation 2-O-Acetyl-trans-coutaric acid Peak:m/z Relative Intensity 100.9362564 0.04 110.8935394 17.85 111.9543381 3.90 129.1925812 0.23 129.9523010 0.16 153.7801819 0.08 154.9611053 7.97 155.9519196 1.66 163.1938782 0.09 172.9791565 100.00 174.0037842 31.14 190.8987427 0.58 192.0642548 0.09 272.2969666 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1087.5289 Annotation Kudinoside C Peak:m/z Relative Intensity 309.2138672 0.02 323.1558228 0.94 324.2423706 0.18 325.3279114 0.02 346.8798523 0.02 365.4832153 0.14 366.2396240 0.01 384.1292114 0.04 395.1555786 0.18 396.2570801 0.08 399.0085449 0.05 405.1273499 0.02 406.7974548 0.19 423.0213623 0.02 425.4203186 0.10 444.3295593 0.02 467.2985229 1.81 468.2151489 0.56 469.3672791 0.07 485.1560364 0.01 486.5498962 0.02 487.3718872 0.07 488.4659424 0.07 514.4755249 0.03 575.6976318 0.01 576.5018311 0.17 602.4558105 0.07 619.5037842 53.15 620.4835205 100.00 621.4971924 5.71 648.6583252 0.02 662.5899048 0.73 701.9000854 0.09 702.6810303 0.19 704.4618530 0.05 747.8504028 0.07 763.4755249 0.14 764.3586426 0.25 765.5446777 0.11 782.1710205 0.07 823.3808594 0.02 824.4108887 0.19 825.5770264 0.05 865.6571045 0.04 943.4173584 1.47 944.3092041 8.38 945.3088379 0.75 968.4738770 0.05 986.1071777 0.62 986.9279785 0.23 987.9919434 0.06 998.5021973 0.01 1026.2216800 0.59 1027.3879390 0.04 1028.3406980 0.02 1070.1481930 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 586.2068 Annotation Unknow Peak:m/z Relative Intensity 166.9707336 0.18 169.4336395 0.08 170.0839844 0.02 171.1055756 0.13 172.9790955 0.02 174.0340881 0.02 177.1913757 0.39 178.3374786 0.05 179.1137543 1.33 180.0962677 0.02 181.0508728 0.01 182.9428253 0.01 184.9980011 0.10 192.1570282 0.16 193.2952271 0.01 197.6103058 0.03 210.0814819 1.22 211.0809631 0.16 213.0298920 0.11 215.0731201 0.01 222.0821228 0.03 224.2685394 0.01 225.8954468 0.03 228.2282257 0.09 231.1779480 0.09 232.1278992 0.01 236.1768188 0.05 240.4252930 0.04 241.8518524 0.02 249.1582336 0.01 254.1660461 5.60 255.2830811 0.37 259.1038208 0.03 260.2527466 0.04 272.1008911 6.07 273.2168884 0.58 274.0357056 0.04 288.1550598 4.49 289.2725830 0.16 306.0982361 100.00 307.2268066 7.58 324.1303101 0.02 352.2143555 0.01 355.1769409 0.01 362.9429321 0.02 375.2527466 0.02 376.9617920 0.01 389.1395874 0.01 393.1040039 0.03 394.2258911 0.07 403.5366821 0.03 406.4995728 0.02 424.2730713 0.04 426.3629761 0.04 428.8419800 0.02 454.1300049 0.02 455.1927490 0.05 457.1021729 0.08 458.0437622 0.10 466.3322144 0.02 467.2395020 0.03 471.4595947 0.02 478.2697754 0.01 483.8660278 0.22 485.3253784 0.06 496.2091675 0.05 498.3886108 0.04 501.4155273 0.01 511.4089966 0.02 526.4971313 0.02 531.3034668 0.03 539.8865356 0.04 542.4598999 0.20 545.3097534 0.11 550.2585449 0.05 554.4435425 0.04 556.4382935 0.02 568.2378540 0.55 569.1696777 0.13 571.4596558 0.02 578.5469360 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1395.6445 Annotation Unknow Peak:m/z Relative Intensity 407.1741943 0.10 454.8279724 0.03 467.1456299 0.27 471.5206299 0.03 485.3627930 0.03 529.5244141 0.13 603.4605103 0.41 627.3255005 0.02 647.2965088 0.06 743.7891235 0.04 745.6810303 0.05 746.3386230 0.06 747.5916748 0.60 763.4001465 0.33 764.6610107 0.67 765.6319580 2.93 866.5211182 0.02 909.4492188 2.71 910.0958252 0.06 925.7338867 0.22 927.5828857 100.00 969.5930176 2.57 991.3398438 0.02 1009.3298340 0.07 1010.0075680 0.11 1011.8880620 0.08 1025.2489010 0.07 1026.2938230 0.03 1071.8322750 0.20 1084.1877440 0.08 1231.7487790 0.09 1233.6665040 0.04 1250.3803710 0.17 1251.5351560 0.55 1279.5993650 0.04 1293.6118160 0.07 1333.7478030 0.16 1352.4931640 0.04 1376.7060550 0.32 1377.6442870 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 596.3705 Annotation Unknow Peak:m/z Relative Intensity 173.0422668 0.07 195.7660370 0.05 196.8304443 0.06 201.0319519 0.06 203.0640564 2.22 204.0584412 0.33 204.9060364 0.03 209.2686005 0.10 211.1937561 0.09 213.9022369 0.05 219.2544556 0.05 226.1414185 0.22 227.0663757 0.04 228.1801910 0.15 233.0458069 0.07 242.0240021 0.08 244.1828613 0.08 246.8451843 0.08 255.1978302 0.03 258.9515686 0.03 261.3388062 0.10 276.8703003 0.04 279.3910522 0.05 288.3066711 0.09 296.4463806 0.10 297.4311523 0.02 300.1404419 0.09 301.7638855 0.04 303.3742065 0.03 310.3117065 0.08 311.1846313 0.01 313.3411255 0.04 318.5508423 0.04 320.1301880 0.03 324.3350220 0.10 325.2059937 0.08 328.1943970 0.02 330.1734619 0.05 339.4418945 0.19 340.3239746 0.03 341.4218750 0.05 347.3761597 0.09 350.3534546 0.09 357.9954224 0.02 372.3059692 0.05 376.4634399 0.04 382.2540894 0.17 393.1640625 0.04 393.8278198 0.02 398.9129028 0.16 401.3023682 0.02 407.2971802 0.15 408.4871216 0.05 409.3876953 0.03 416.3535767 0.12 417.3457031 0.09 424.1257935 0.15 429.1864624 0.52 430.3885498 0.08 431.2238770 0.08 433.1525879 0.02 434.1788330 0.08 435.4002075 0.05 437.2708740 1.05 438.3209839 0.47 439.0881958 0.05 440.8065796 0.02 445.0671997 0.79 445.7714233 0.03 447.2863159 0.09 448.3868408 0.04 449.9778442 0.04 450.6652832 0.09 452.3692017 2.12 453.4514771 0.21 454.3067627 0.18 465.4006348 0.02 467.3635864 0.35 470.4302979 0.06 474.0386353 0.11 475.6053467 0.08 478.3890381 0.08 479.3493042 0.12 481.5029907 0.32 482.2900391 0.10 486.4935913 0.85 487.6441650 0.38 488.5695190 0.06 490.9411011 0.04 495.5265503 7.65 496.3812866 0.06 497.3329468 0.03 502.3092651 0.05 506.8043823 0.10 507.4613647 0.10 508.3256226 0.06 514.6049194 0.05 515.4014893 0.09 516.0750732 0.04 519.0112915 0.06 520.9746094 0.51 521.6527100 0.18 522.9874878 0.16 524.3021851 0.06 526.3729248 56.50 527.3880005 11.04 528.0606689 0.06 528.7839355 0.31 529.5592651 0.54 530.4031372 0.51 533.3804321 0.06 535.2400513 0.02 536.5239868 0.02 538.1416626 4.04 539.4280396 0.26 543.1287231 11.25 543.9559937 0.07 544.6884155 0.04 545.3500977 0.41 546.2288208 0.07 549.1082764 0.11 550.3897705 0.58 552.0825195 100.00 553.2152710 1.61 554.1825562 0.26 554.9389038 0.19 555.7869263 0.03 557.6368408 0.23 558.3615723 0.02 559.4883423 0.02 560.6782837 0.19 563.6878052 0.04 565.5190430 0.74 566.6519775 0.32 567.3070068 0.12 568.7852173 0.19 569.6217651 0.09 571.5142212 0.54 577.8843384 0.25 578.4875488 0.16 579.3208618 0.28 580.5085449 0.90 581.1458740 0.32 583.5507812 0.04 587.6718140 0.81 588.4557495 0.11 608.5981445 0.30 610.5676880 0.02 621.1148071 0.23 621.9395752 0.15 622.5585327 0.15 623.5764160 0.16 625.1279907 0.02 633.3941040 0.03 636.4987793 0.11 638.9297485 0.25 639.5466309 0.38 640.5407104 0.16 645.7050171 0.02 648.4191895 0.16 649.4888916 0.02 651.7873535 0.47 652.6543579 0.07 657.3498535 0.03 666.4629517 63.25 667.5225830 19.31 668.5336304 0.23 671.4847412 0.08 672.3367920 0.07 674.6206055 0.12 675.3821411 0.24 678.2326050 0.12 679.8723145 0.32 684.8822021 0.08 686.5609131 0.17 688.0905151 0.08 694.5586548 0.01 695.3234253 0.08 697.4464722 0.12 699.0720825 0.37 700.8724365 0.17 703.1780396 0.13 707.8838501 0.20 708.6873169 0.07 709.5996704 0.24 710.9209595 0.24 712.3456421 0.12 715.5778198 0.22 717.4024048 0.03 720.4097290 0.52 721.8939209 0.11 729.1782837 0.41 730.0623169 0.13 734.6025391 0.15 736.6782837 0.58 737.7637939 0.14 740.5049438 1.52 741.4489136 0.34 742.5916748 0.05 743.9937134 0.17 744.6929321 0.07 745.6914673 0.34 750.9962158 0.11 755.8176880 0.14 756.4347534 0.08 758.4419556 0.29 760.1295776 0.30 763.0017700 0.19 763.6735840 1.01 764.6177368 0.23 765.3720093 0.02 767.6478882 0.02 771.1665649 0.09 776.4548340 0.13 777.7495728 0.07 779.7072754 0.11 780.8102417 0.03 788.6076050 0.37 790.0045776 0.04 792.4974976 0.04 795.0747070 0.13 796.7012939 0.46 800.7774048 0.10 802.3097534 0.04 808.3509521 0.19 815.1533813 0.09 816.0238647 0.06 818.6819458 0.04 819.8176880 0.03 821.0590210 0.08 821.7540283 0.12 824.2570801 0.03 829.9320068 0.20 833.6353149 0.03 841.2912598 0.11 845.5382690 0.17 849.8060913 0.16 850.6558228 0.03 851.5663452 0.10 853.6871948 0.10 858.7249146 0.09 861.4932251 1.00 862.6970825 0.39 867.9710083 0.04 875.8384399 0.05 876.4555664 0.04 877.5889282 0.13 880.5329590 0.04 889.3627930 0.02 894.4141235 0.05 909.4326172 0.04 923.6829224 0.07 945.9328613 0.02 953.9971313 0.12 956.5401001 0.02 961.7627563 0.19 962.9321289 0.14 964.3877563 0.02 966.6909790 0.25 967.6113281 0.22 971.7063599 0.02 974.0571899 0.09 974.6619263 2.10 975.5612793 1.13 976.1755371 0.02 989.5921021 22.30 990.6171265 10.04 991.5022583 0.08 999.4402466 0.04 1022.0878300 0.03 1024.9855960 0.04 1041.2824710 0.02 1057.5034180 0.14 1058.6007080 0.02 1076.7539060 0.05 1094.5356450 0.04 1102.7050780 1.05 1103.7401120 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 823.447 Annotation Yiamoloside B Peak:m/z Relative Intensity 235.1080627 0.06 353.2984619 0.36 409.2279663 0.07 415.5769653 0.19 425.6202393 0.08 443.5191650 0.39 444.3392334 0.27 463.5240479 0.13 469.6921387 0.10 471.5176392 0.10 485.6084595 0.27 487.3936768 0.81 498.6390381 0.10 530.5955200 0.36 541.4143066 0.17 543.7348022 0.09 556.2288208 0.11 575.6285400 0.09 599.5429077 0.05 601.4834595 1.62 602.5789185 0.77 617.4474487 1.04 618.0975952 0.14 619.5055542 10.23 620.6070557 3.73 634.7300415 0.25 641.4616089 0.08 642.6166992 0.42 643.5592041 0.14 645.5763550 0.67 655.9108276 0.43 661.4409790 0.66 664.1072388 0.06 666.0712280 0.11 671.5034180 0.41 675.7279663 0.04 677.6175537 0.16 683.7734375 0.24 688.7543335 0.22 704.1429443 0.08 715.4845581 0.59 716.7124634 0.17 719.6041870 0.27 720.7572632 0.18 727.6057739 0.58 728.4446411 0.18 733.2931519 0.09 737.5834351 0.30 745.6152954 0.25 746.7008057 0.25 763.4721680 100.00 764.5140381 43.55 765.1770020 0.22 777.5421143 0.43 781.5487671 79.64 782.5836182 39.66 783.8821411 0.08 787.4796143 0.12 802.2780151 0.69 805.4077759 2.51 806.4181519 2.12 815.7628784 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 646.85 Annotation Unknow Peak:m/z Relative Intensity 186.6867371 0.06 214.8688354 0.10 228.8446350 0.05 244.9933167 0.11 272.9741516 0.48 288.9873657 3.66 305.1073608 0.80 326.5267944 0.06 387.0221558 0.33 388.0516357 0.37 403.0288696 11.14 404.0549316 0.10 418.3505249 0.70 418.9996338 7.43 419.9757080 0.05 500.9752808 3.16 501.9297485 1.82 516.9998779 3.04 530.1039429 0.07 530.9014893 0.24 532.8915405 100.00 556.1193848 0.14 573.1646118 0.03 589.7717896 0.09 590.9267578 0.05 599.6438599 0.09 600.8910522 0.21 602.8122559 0.07 638.2216797 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 701.1927 Annotation Unknow Peak:m/z Relative Intensity 197.3501282 0.03 226.5523224 0.01 269.2996521 0.02 293.3671875 0.02 297.2081299 0.03 309.3159180 0.08 312.1055908 0.01 327.1414795 0.41 341.2999878 0.47 345.0406494 0.03 355.2065430 0.06 357.4717407 0.04 358.2207031 0.01 365.0726318 0.16 369.1823120 0.05 384.9160767 0.05 386.9364014 0.05 399.3129272 0.08 415.4767456 0.10 433.5926514 0.02 437.1975098 0.05 442.2174072 0.04 443.3276367 0.02 489.2238159 0.02 493.0319214 0.02 503.5744629 0.03 508.3699951 0.02 520.2697144 0.03 521.6478882 0.03 537.8320312 0.04 539.2095947 100.00 539.8480225 0.27 552.0392456 0.07 575.2291870 0.03 579.0709229 0.05 581.3963013 0.10 603.2738037 0.05 613.4129028 0.02 622.0300903 0.01 623.4789429 0.04 624.3861694 0.05 629.2626953 0.07 632.3515015 0.08 637.2014771 0.03 638.1823120 0.01 643.6334229 0.06 646.0317993 0.02 651.5679932 0.03 654.4885254 0.06 656.5570068 0.10 657.2362061 0.08 658.9315796 0.04 662.5351562 0.05 665.4683838 0.09 667.2568970 0.08 668.3833618 0.15 670.4259644 0.12 671.4298096 0.09 674.9373169 0.08 682.4098511 0.24 683.5603638 0.18 691.4629517 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 600.1181 Annotation Unknow Peak:m/z Relative Intensity 258.1723633 0.01 293.2137451 0.11 313.0722656 0.03 331.3885498 0.02 337.1595459 1.43 372.8065796 0.01 375.1376343 0.09 377.1015015 0.09 391.3219604 0.05 405.2420654 0.01 415.1989746 0.01 419.0355225 0.02 421.0486450 0.19 427.4874268 0.06 429.9093628 0.03 431.5259399 0.02 454.5409546 0.01 463.0709839 0.01 470.0585327 0.01 472.1585083 0.03 476.1708374 0.03 507.9003906 0.05 513.7359009 0.03 514.7838135 0.11 516.1970825 100.00 517.0392456 0.04 554.2500610 20.34 582.3346558 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 369.1176 Annotation 3-O-Feruloylquinic acid Peak:m/z Relative Intensity 107.0152969 0.14 112.9990845 0.76 118.8763962 1.59 120.1061707 0.12 122.9735718 0.30 130.8983765 0.75 136.9771118 4.66 141.0043640 3.97 143.0906677 0.09 144.0498047 0.13 145.1174622 0.24 146.9168243 0.12 150.8652954 0.20 152.9228821 0.30 155.1471100 0.39 157.0947571 0.11 158.9191589 1.67 161.1525269 0.08 167.0126038 0.04 168.9945068 4.39 170.9352417 0.87 173.0555725 0.45 177.0771027 0.21 179.0237427 1.01 182.8404083 0.08 186.5100403 0.50 187.1418304 6.73 189.1426239 0.15 191.1458282 0.11 193.0703583 100.00 197.0492706 6.40 201.0187683 0.17 205.1397552 0.88 207.1319427 2.93 211.0084991 0.98 213.0581970 0.15 215.0885925 25.60 217.2153320 0.49 218.8486633 0.25 221.0989990 0.97 225.2007141 0.26 231.1482544 0.25 232.9551086 5.59 235.1118469 41.67 236.3069458 0.05 237.4102173 0.09 241.2852783 0.20 246.4372253 0.45 247.1918640 0.11 248.1986694 0.04 248.9686279 1.21 251.1827393 1.11 253.1925964 0.22 261.1998596 0.09 262.8572388 0.58 265.8036499 0.55 271.2359314 0.25 273.2402954 0.24 276.9577026 14.20 278.0296631 1.18 278.6439209 0.20 279.2617188 0.38 285.1711731 0.19 286.7962341 0.71 287.4133606 0.51 289.1250916 1.05 291.1173096 0.08 295.2803040 0.49 296.9519348 0.34 300.5560303 0.44 305.2005005 5.28 305.9670715 0.14 307.1210632 0.44 307.8744507 0.30 308.9751587 0.35 312.1178589 0.35 315.1622314 4.26 318.2160645 0.05 323.1912231 3.46 327.3323975 1.55 328.5690002 0.07 333.1771240 25.46 337.4194031 0.14 340.2535095 0.04 344.9057312 0.60 346.2398071 0.12 347.4057312 0.23 350.6123352 2.02 351.2350769 22.28 352.1473389 0.08 353.4733582 0.10 360.1748657 0.99 361.1063538 0.35 362.9928284 0.69 368.4043884 0.24 375.7785950 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.0516 Annotation Unknow Peak:m/z Relative Intensity 111.9738998 0.16 112.8767242 0.04 115.0561829 0.29 128.3891602 0.23 129.0907593 0.34 144.8090973 0.11 146.9584503 0.51 159.0444031 0.06 172.9673157 0.06 175.0829163 7.51 190.9740295 100.00 306.3097534 0.06 321.2867432 0.50 348.7310486 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 224.08 Annotation Unknow Peak:m/z Relative Intensity 72.0674896 0.04 86.1260223 0.02 87.0470047 0.03 87.9509735 0.07 91.3336334 0.04 99.1723175 0.03 107.7228394 0.06 108.9039764 0.06 109.6837463 0.06 122.2496185 0.02 126.9037933 0.13 129.0346375 0.02 130.0685577 0.04 132.0515289 0.05 134.1756439 0.08 136.0732269 0.19 138.0305939 0.05 146.8517151 0.13 149.1781616 0.03 150.0140991 0.11 151.9496002 0.03 153.9546051 0.09 156.0194855 0.04 159.1283722 0.07 160.4181213 0.20 161.0825195 0.46 162.1788177 0.03 162.9457550 0.06 164.0613098 0.77 165.0146942 0.13 165.8992615 0.10 167.2069244 0.03 168.0227966 0.05 172.8715668 0.05 175.9629974 0.30 176.9731293 0.03 178.0891571 1.57 178.8164062 0.07 179.8964386 0.24 181.9602203 0.32 182.9579773 3.53 184.7841034 0.03 186.2085571 0.07 187.4223633 0.13 188.3082581 0.43 188.9330292 2.57 194.2191620 0.07 195.9544678 0.95 201.0716400 0.93 203.2551575 0.09 204.9748840 0.07 206.8217010 100.00 207.7647552 0.22 213.0107269 0.05 214.4622955 0.46 215.4529572 1.07 217.5878143 0.06 223.2352142 0.03 228.2426147 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 716.69 Annotation Unknow Peak:m/z Relative Intensity 212.8658447 0.25 296.7496338 6.33 380.6558228 23.47 463.1453857 0.06 464.5185547 41.69 465.2553101 0.11 466.8936768 0.15 470.5638428 0.08 496.8598633 0.11 508.6791992 0.40 545.8767700 0.36 548.4371948 100.00 549.1746826 0.29 550.6732178 5.87 554.7988281 0.58 568.4230347 0.38 569.1448975 0.10 572.5934448 0.20 580.5520630 1.10 586.4179077 0.16 596.5130005 0.32 606.4602661 0.14 610.2154541 0.87 610.9458618 0.04 629.7108154 0.22 632.4143677 89.89 640.3817749 0.49 643.9566040 0.09 652.1973267 0.20 656.7864380 0.47 670.4011841 1.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 177.1018 Annotation Unknow Peak:m/z Relative Intensity 88.0619812 0.01 97.0630798 0.01 130.9470673 0.05 136.0168762 0.01 145.1248932 0.01 148.9055481 0.07 159.9547577 100.00 160.8085785 0.03 168.0455780 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 291.1067 Annotation 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran Peak:m/z Relative Intensity 82.9800339 0.02 86.9888992 0.17 100.9902496 0.98 104.1725464 0.02 110.9852295 1.32 123.0976334 0.04 126.9384003 0.02 128.9543610 100.00 129.6804962 0.01 131.1168365 0.01 159.1644440 0.01 177.0687256 0.06 188.0691376 0.01 205.2267761 0.02 225.9866638 0.01 254.5308838 0.02 273.1340942 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1417.6193 Annotation Unknow Peak:m/z Relative Intensity 443.9425964 0.19 444.7178040 0.03 467.1863708 0.40 468.2011719 0.38 472.6041565 0.03 485.9237976 0.03 486.6485596 0.04 487.5300293 0.26 488.7459106 0.02 515.4411621 0.13 516.5184326 0.04 530.5264282 0.08 558.5018311 0.04 559.7976074 0.02 583.5324097 0.12 584.4916992 0.07 585.7114258 0.01 587.3155518 0.11 588.8708496 0.06 601.5509644 0.22 602.4326172 0.30 617.4765015 0.05 619.4243164 0.18 620.3197632 0.11 623.5727539 0.06 632.7878418 0.11 643.6186523 0.03 644.4073486 0.02 646.4698486 0.07 655.5799561 0.01 661.5009155 0.41 662.7326660 0.03 663.4449463 0.01 683.5977783 0.09 684.4235840 0.17 685.5886230 0.03 699.2875977 0.06 700.5169678 0.08 701.5601807 0.07 702.2572021 0.02 704.3352051 0.03 708.3449097 0.04 709.3555908 0.13 710.6253662 0.28 719.3304443 0.12 720.9110107 0.03 727.5010986 2.45 728.5379639 4.31 745.7302246 0.21 746.7331543 0.09 762.5610352 0.20 763.5799561 0.68 764.5156250 0.56 769.5377197 0.40 770.5059814 0.91 780.3395996 0.08 782.0257568 0.31 787.4093628 0.54 788.3754272 0.59 805.4906006 1.46 806.4486084 3.10 822.1353760 0.17 823.4291992 1.09 824.5093994 2.50 829.6309814 0.43 830.6295776 0.41 847.4686279 3.37 848.4609985 6.22 849.0909424 0.01 865.4816895 6.52 866.4284668 12.97 867.2708130 0.07 889.6366577 4.10 890.5354004 3.65 891.5092163 0.06 907.5352783 29.95 908.5333252 47.15 909.5410156 0.11 932.6005859 0.17 949.4106445 43.23 950.3817139 100.00 951.2202148 0.50 962.5274658 0.04 974.6441650 0.03 991.4288330 0.10 992.4376221 0.16 1012.9721680 0.08 1032.6737060 0.04 1034.6173100 0.04 1074.6489260 0.02 1094.1342770 0.12 1196.4353030 0.19 1214.1003420 0.11 1273.0715330 0.39 1274.1411130 1.49 1316.0716550 0.11 1316.7099610 0.03 1371.9704590 0.02 1376.6838380 0.12 1396.0335690 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 220.12 Annotation Pantothenic acid Peak:m/z Relative Intensity 68.9614868 0.07 71.9411774 3.19 81.9821243 0.04 84.0825806 0.05 84.9469147 0.04 89.9259796 39.30 90.7919464 0.03 95.0147400 0.12 97.9845276 0.24 99.1781311 0.04 100.0022430 0.03 102.8308563 0.05 109.6247864 0.02 110.9763031 0.04 112.7874908 0.09 115.9186401 4.90 119.8772736 0.04 120.9215698 0.10 123.9114685 0.15 131.0363159 0.40 142.1898346 0.32 146.1663208 0.02 147.1598511 0.01 147.9636078 0.04 154.1566925 0.04 156.1482849 0.23 159.9005280 0.23 164.1700897 0.04 166.1208191 1.06 172.0584259 0.09 173.0861511 0.06 174.0744476 4.82 176.2480774 0.03 178.0752258 0.02 179.0579681 0.05 180.1763153 0.02 182.0695953 0.06 184.0240936 21.59 188.1860657 0.03 189.7978668 0.35 192.1642456 1.54 197.0643463 0.02 199.0249786 0.21 202.0576019 100.00 202.8702545 0.04 203.7395630 0.09 210.6537018 0.65 218.0913696 0.02 220.8531036 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 572.2903 Annotation Kinetensin 4-7 Peak:m/z Relative Intensity 169.2631531 0.06 172.8341980 0.09 174.9854584 0.05 179.0159302 0.05 183.1567688 1.08 186.0664368 0.09 197.2009430 0.21 199.0315857 3.40 200.9000244 0.08 204.0420227 0.02 211.0974579 0.40 215.1651917 0.97 218.9914246 1.17 220.0933075 0.05 225.4466553 0.13 227.0451660 13.43 227.6884613 0.06 229.1499786 0.16 231.0451965 0.02 233.1391296 0.69 236.4180145 0.19 240.1414795 0.66 241.2607727 0.12 243.1721802 0.10 245.2459106 0.21 248.0950317 0.03 249.3076935 0.07 254.2484131 0.03 258.2222595 0.05 259.2621460 1.20 260.0923767 0.49 264.0065308 0.03 264.9570923 0.11 267.1820984 0.13 269.0384521 0.07 272.2601318 0.06 274.1681519 0.04 279.5812378 0.09 280.2124634 0.19 281.1008911 0.09 283.2907715 0.13 284.2813721 0.10 298.3612671 0.23 300.3279724 0.58 301.3264465 0.12 302.4580994 0.07 308.2158813 0.04 309.2452393 0.13 312.1088867 1.03 313.2919922 0.42 321.3875122 0.03 322.3056030 0.12 323.3069458 0.11 325.1564941 1.63 326.2193604 0.38 326.9819336 0.45 328.2091675 0.06 330.1799927 100.00 331.3476562 0.19 334.3267822 0.12 336.2332764 0.21 338.3467407 0.08 340.3132935 1.73 341.1668701 0.34 343.3086548 0.23 344.3320312 0.20 345.1970215 0.11 347.3654175 0.08 353.2077026 5.62 354.2092896 0.57 355.4636230 0.04 357.5335083 0.15 358.2257080 0.04 359.2255249 0.33 360.1828613 0.03 361.8869019 0.04 366.1367188 0.04 367.3048706 0.03 368.4725342 0.03 370.3206177 0.05 371.2121582 0.07 372.2041626 0.30 378.1835938 0.02 379.9187012 0.20 383.0667114 0.04 385.0709839 0.24 387.3053589 0.09 393.3444824 0.27 394.2806396 0.02 396.0783081 0.35 398.2655640 0.15 399.2469482 0.03 401.5511475 0.15 407.8166504 0.08 409.6154175 0.42 410.2882080 0.90 411.3245239 0.57 412.4238281 0.05 416.2433472 0.05 417.0567627 0.06 419.3898315 0.13 420.3090820 0.07 424.4807129 0.29 425.1461792 0.18 426.2385254 0.60 427.6783447 0.11 429.2778931 36.92 430.2937622 8.84 433.0469971 0.04 435.7899780 0.31 436.4902954 0.24 437.4584351 0.04 439.0268555 0.25 440.2587280 0.07 441.5361328 0.48 442.3652344 0.10 443.3972168 0.32 444.0564575 0.08 445.6281738 0.03 449.1224365 0.25 450.3845825 0.11 451.2684326 0.04 452.6268311 0.11 454.4108887 0.90 455.1790771 0.15 456.7571411 0.22 458.2733154 0.16 459.2584229 0.52 459.9711304 0.11 460.8881836 0.08 462.6067505 0.39 464.2340698 1.80 465.1579590 0.53 466.2086182 0.63 467.1816406 0.45 469.2068481 4.28 471.0478516 0.17 471.8125000 0.45 475.5305176 0.03 477.9926147 0.26 479.5440674 0.42 482.2527466 30.80 483.3671875 7.74 484.5177612 0.07 487.9275513 0.26 490.0253906 0.15 492.2806396 0.08 493.9691162 0.12 498.2222900 0.19 501.7389526 0.45 502.4337769 0.06 503.2413940 0.08 504.2747803 0.16 506.3838501 0.36 508.3285522 0.11 510.1166992 0.31 512.5902710 0.49 515.1811523 0.06 517.9569702 0.23 519.3850098 0.19 520.9236450 0.06 521.6148071 0.22 524.4125366 0.26 526.8731689 0.32 528.1671753 0.04 528.8842163 0.13 530.2150879 0.21 533.2008667 0.41 534.2239380 0.25 535.8552856 0.04 536.9934082 0.24 539.4757080 1.05 540.3092651 1.53 543.2313843 0.84 544.2288208 0.37 546.0488892 0.28 547.6052856 0.64 548.9636841 0.08 550.5690308 0.24 551.4348755 0.20 553.4263916 1.34 554.3411865 2.88 555.3349609 0.52 558.0141602 0.63 558.9553833 0.19 559.6333618 0.41 560.3598633 0.70 562.5698853 0.67 563.7608032 0.31 577.6099854 0.13 578.6506958 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 830.326 Annotation Unknow Peak:m/z Relative Intensity 233.2253876 0.13 251.1121521 0.04 286.4212036 0.03 293.3117065 1.13 311.4373169 0.14 312.1722717 0.72 375.2785645 0.05 385.4748840 0.19 416.4020386 0.05 421.1864014 0.06 438.5301514 0.08 468.5047607 0.02 483.3695068 0.07 487.4804077 0.07 507.6105957 0.07 513.1973267 0.02 517.3037720 100.00 522.3568115 0.03 524.1084595 0.09 546.4934082 0.04 551.8939819 0.03 557.4256592 0.19 563.1233521 0.22 569.6340332 0.10 611.7197876 0.07 625.4098511 0.08 638.0942993 0.75 639.5129395 0.13 644.8610840 0.07 661.2112427 0.11 666.2205200 0.08 670.4663086 0.17 677.9409790 0.08 680.6678467 0.09 701.2917480 0.07 707.3925171 0.07 745.4592896 0.06 750.0601807 0.07 755.1251221 0.14 768.2210693 0.30 781.1086426 0.08 785.6491089 0.06 786.8438110 0.13 794.5062866 0.13 796.7437744 0.14 799.5023804 0.15 800.6761475 0.31 804.7711792 0.11 807.0959473 0.04 808.3645020 0.55 811.3059692 0.26 812.3154907 0.64 814.1090088 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 273.96 Annotation Unknow Peak:m/z Relative Intensity 114.8844604 4.16 115.9820480 1.64 131.1128235 0.48 132.0386658 0.08 143.0093994 0.02 143.9912109 0.03 148.0927734 0.02 158.9623108 100.00 159.9377747 36.84 185.7852478 0.03 188.9737549 0.03 198.9819336 1.42 200.0072021 1.56 201.1084595 0.05 217.0769348 0.57 218.0041504 0.73 227.0361328 0.04 228.9394226 18.80 229.9528503 16.87 230.5591736 0.12 244.9965820 0.41 246.1269531 0.19 254.9552917 0.03 256.8969421 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 329.1239 Annotation Bartsioside Peak:m/z Relative Intensity 98.9139252 0.07 100.9950409 2.18 107.0038300 1.17 111.1097794 0.05 112.8981781 0.94 117.0846863 0.12 119.0225830 0.47 122.9444199 0.22 125.0188904 0.18 129.3590240 0.26 130.1507416 0.28 130.9790039 0.43 142.9985199 0.36 144.1391907 0.15 147.0364838 0.32 149.0300598 0.21 158.9904480 0.44 161.0555420 2.79 163.0670166 0.05 165.1321106 0.10 167.0133972 100.00 167.6423492 0.42 172.1484985 0.05 179.0061798 0.26 180.4240417 0.15 197.2256927 0.13 198.1472321 0.60 206.9856873 0.24 208.3500061 0.13 209.1238708 0.48 213.1755371 0.31 217.2022095 0.10 221.0711670 0.61 226.8792725 0.28 231.1207886 0.22 234.1810608 0.08 235.0640564 0.34 236.9541321 0.18 239.2179565 0.06 240.0164795 0.07 241.1346436 0.34 241.8909607 0.07 243.2152405 0.05 247.1563721 0.15 251.0491333 0.05 254.0791626 0.12 257.1397400 0.09 263.3836060 0.07 265.3433838 0.04 266.3568420 0.12 267.4731445 0.08 269.2985229 0.18 271.1072083 0.12 273.2666626 0.07 281.1548157 0.25 283.0654907 2.14 285.0341492 1.54 293.1939087 2.98 297.3327026 0.06 298.2002563 0.05 299.1304321 0.19 309.1351318 0.17 309.7421875 0.03 311.1348267 0.74 312.4908447 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1141 Annotation Abu-TyrMe-OH Peak:m/z Relative Intensity 121.1267166 0.11 197.4307098 0.05 285.2450562 0.09 291.2778625 0.03 305.4497681 0.06 329.1956177 0.12 341.1795959 12.60 342.0918579 14.10 343.1362305 100.00 359.1879272 0.07 371.2983704 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 351.13 Annotation 2,3-Dimethyl-3-hydroxyglutaric acid Peak:m/z Relative Intensity 98.9717407 0.11 100.9984360 3.90 102.9586029 0.28 109.0315857 0.08 110.8965912 0.22 112.8930359 12.77 116.9959717 0.26 119.0044403 0.09 126.9900665 0.06 129.2302246 0.06 130.8042450 0.16 138.9906769 0.08 143.3697205 0.15 145.2379913 0.05 148.9483795 0.09 157.0566101 1.28 159.1142273 0.11 161.0158386 0.11 172.9825287 0.28 175.0185699 4.13 184.8920135 0.18 187.2127533 0.21 189.1752472 0.17 192.9820709 0.08 205.0777588 1.96 223.1894531 0.37 231.0605774 8.11 249.1370544 100.00 261.1054688 0.14 267.1954956 22.39 277.2458496 0.12 291.2285156 1.93 305.1426697 1.90 310.3181152 0.10 315.0347900 0.70 333.2382812 20.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 397.2214 Annotation Sinuolatin A Peak:m/z Relative Intensity 118.8740540 0.15 124.8588257 0.05 126.8953171 0.07 133.1223602 0.32 135.0922241 0.67 146.0561218 0.19 149.1468811 0.11 151.1420288 0.11 157.9726562 0.12 158.9070587 0.38 159.5264893 0.05 161.1036072 0.46 163.2401428 0.17 169.1929016 0.04 171.2230530 0.17 173.2423096 0.16 177.0867310 0.06 187.2713165 0.07 189.1115265 0.23 196.1409912 0.07 199.2505341 0.38 205.3432312 0.13 207.1378326 0.43 209.1454163 0.05 217.2070160 6.23 219.1864166 0.23 221.4249573 0.10 223.6574402 0.15 228.0413513 0.38 228.9944763 0.09 235.1373596 100.00 235.9267273 0.05 242.2945557 0.17 243.0435486 0.08 246.6375427 0.05 253.1218567 0.22 263.4404907 0.06 267.0627441 0.11 267.9817505 0.08 277.0687866 0.08 279.2057495 0.10 283.3366699 0.18 291.1643677 0.09 302.0784302 0.06 306.7967224 0.06 308.4992676 0.04 309.1961670 0.24 311.0371399 0.05 315.9378967 0.38 318.9608459 0.10 320.3533936 0.03 320.9986267 0.09 323.1469116 0.04 326.7651978 0.06 328.8338623 0.14 336.8535767 0.03 338.3065186 0.06 339.2143250 0.72 341.2749939 0.15 344.1287842 0.19 347.8026733 0.28 354.7033997 0.19 356.3064270 0.17 361.2369690 0.24 365.2983093 0.15 369.0912781 0.16 370.1079102 0.04 377.1918640 0.07 379.0599670 2.16 381.7595520 0.37 383.2582092 0.13 388.2046204 0.23 397.3809509 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1011.9045 Annotation Unknow Peak:m/z Relative Intensity 304.6954041 0.22 316.1014099 0.22 325.1213379 0.24 342.3438110 0.03 345.2651978 0.19 349.4646606 0.19 355.6984558 0.13 368.3023682 0.36 371.9989624 0.09 373.4370422 0.47 385.2640991 0.25 388.3126831 0.12 416.3408203 0.23 425.7678223 0.96 438.2593994 0.18 456.5009460 0.08 458.4352417 0.19 462.1730957 0.11 466.5457764 0.22 478.2448730 0.14 485.1105347 0.05 503.2820435 0.08 510.3535156 0.07 511.2875366 0.12 512.6231689 0.05 538.8405151 0.23 543.8748779 0.16 562.3035889 0.89 563.2703857 0.31 567.4416504 0.11 569.9438477 0.14 572.4022217 0.20 573.4283447 0.07 579.6447754 0.23 583.0592041 0.11 605.3825684 0.13 606.3181152 0.18 607.9659424 0.21 613.2972412 0.16 616.2703247 0.11 620.5101318 0.18 623.6042480 0.07 624.4163818 0.34 627.5510864 0.13 633.6373291 0.04 636.0542603 0.12 643.6961670 0.23 644.3511353 0.12 650.5783691 0.10 670.5228271 0.10 672.4188232 0.08 685.6378784 0.68 686.4750366 0.43 690.2086182 0.33 694.8898926 0.29 698.6033936 0.14 703.6553345 0.44 707.7714844 0.24 735.0808105 0.05 736.0177002 0.12 736.7006836 0.16 747.6420898 0.11 752.4401855 0.09 754.1625977 0.04 761.8557739 0.20 783.1824951 0.13 784.3889160 0.46 787.2312012 0.30 801.3044434 0.09 815.8466797 0.14 816.6376953 0.40 817.7077637 0.34 818.5953369 0.06 820.6573486 0.18 821.6124268 0.47 827.9661865 0.35 830.0504150 0.59 841.4019775 0.23 850.1496582 0.17 851.0734863 0.09 852.0576172 0.13 866.4833984 0.29 878.7294922 0.14 884.6578369 0.22 888.4831543 0.13 901.5081787 0.21 909.8686523 0.21 941.0755615 0.56 947.7565918 0.21 962.4525146 0.13 964.4272461 0.07 972.1567383 1.45 973.5644531 0.43 978.3737793 0.09 979.1411133 0.55 982.4958496 0.27 983.3569336 0.27 985.7727051 0.84 986.3927002 0.13 987.5058594 0.64 990.0845947 0.15 991.9010010 1.99 992.6042480 0.10 993.6942139 2.40 994.5142822 1.33 995.4211426 0.36 996.1389160 5.78 997.7734375 1.22 998.8767090 3.50 1000.0178220 0.15 1001.1506350 0.08 1002.8408200 0.18 1007.6440430 0.10 1011.6616210 0.13 1014.0281980 0.06 1017.9041750 0.23 1028.2343750 0.64 1030.5676270 0.08 1035.0153810 0.46 1035.8787840 0.24 1041.1013180 0.51 1041.9743650 0.30 1044.3759770 0.89 1045.0446780 0.27 1046.5028080 0.39 1047.4953610 0.05 1048.4096680 0.15 1051.1683350 1.00 1052.4091800 1.30 1053.5434570 0.08 1055.2879640 0.82 1060.9855960 0.77 1063.7880860 0.10 1065.6955570 0.91 1066.4809570 0.18 1070.3706050 0.98 1072.7458500 0.43 1075.7392580 0.20 1076.7237550 1.41 1077.5024410 0.13 1078.4613040 0.38 1079.1036380 1.42 1080.9359130 0.72 1081.6938480 0.64 1085.9458010 1.21 1087.1838380 7.58 1087.9686280 1.30 1088.5972900 0.03 1090.2078860 0.20 1091.5769040 1.13 1094.8210450 0.51 1096.2474370 1.25 1097.1506350 0.39 1098.6513670 0.55 1100.6429440 0.73 1101.3164060 1.37 1101.9296880 0.07 1103.6899410 1.43 1105.1356200 0.43 1107.1431880 0.95 1107.9799800 0.38 1108.6798100 0.73 1111.4691160 0.75 1112.4638670 0.38 1114.1182860 0.11 1115.2864990 0.55 1116.1257320 0.74 1117.2109380 0.38 1118.7098390 0.79 1119.7683110 0.97 1122.0444340 0.70 1123.2559810 1.04 1124.3364260 2.30 1125.0795900 0.09 1125.7821040 0.03 1126.8876950 1.79 1127.5915530 2.37 1128.6721190 0.67 1129.9794920 1.27 1131.0218510 0.83 1133.1213380 0.73 1134.5731200 3.70 1135.5227050 0.73 1136.4361570 3.40 1137.4744870 8.91 1138.5448000 2.24 1139.8183590 7.87 1140.5347900 14.17 1141.5080570 0.78 1142.7695310 8.84 1143.3850100 100.00 1144.8381350 4.33 1146.2836910 4.40 1147.4265140 5.08 1148.8608400 2.90 1150.0832520 1.71 1150.9318850 0.34 1152.4941410 0.86 1153.5285640 2.25 1155.1103520 3.35 1156.2186280 1.38 1157.0192870 2.30 1158.4235840 2.80 1159.2690430 26.49 1160.3312990 2.30 1161.7114260 4.68 1162.9567870 2.92 1163.9003910 0.48 1164.8175050 5.59 1166.0485840 1.45 1166.8275150 0.48 1167.5703120 0.19 1168.9077150 7.59 1169.8676760 0.41 1170.6804200 0.67 1171.2932130 0.38 1172.2846680 1.39 1173.3513180 0.14 1174.5678710 0.17 1178.6582030 0.17 1179.5006100 0.75 1192.9276120 2.21 1193.8134770 0.56 1198.5478520 1.68 1199.6198730 0.17 1201.4953610 2.66 1202.6490480 1.01 1208.4302980 1.64 1210.2314450 0.79 1211.0517580 0.82 1213.7148440 0.13 1217.0581050 2.11 1217.9588620 0.33 1222.8898930 0.22 1224.5607910 1.63 1225.3901370 0.32 1226.9151610 0.59 1233.1699220 0.82 1234.2672120 0.69 1235.0106200 0.63 1236.9981690 0.60 1242.5202640 1.96 1243.3178710 2.79 1245.1495360 1.03 1246.0922850 1.08 1246.9558110 2.13 1247.7858890 1.19 1248.7111820 0.28 1249.4060060 1.32 1250.8818360 0.36 1253.1115720 3.73 1253.9204100 0.25 1256.4913330 0.54 1259.6395260 3.32 1260.4710690 1.17 1262.1872560 0.66 1263.7299800 0.17 1264.5058590 0.39 1267.6865230 1.35 1269.4123540 0.06 1272.6791990 1.14 1276.3380130 1.73 1277.3845210 0.08 1283.2432860 1.23 1284.1884770 1.05 1285.9573970 0.78 1287.1868900 0.41 1289.5260010 2.21 1290.2962650 1.44 1292.7103270 0.29 1293.3638920 1.20 1294.8010250 1.42 1297.0749510 1.85 1297.7435300 0.52 1299.0172120 1.55 1299.7381590 1.06 1300.9671630 0.94 1302.4548340 0.27 1303.2669680 0.17 1308.3035890 2.82 1309.1401370 1.33 1310.2656250 1.32 1310.8724370 0.38 1312.4996340 1.29 1313.8333740 0.46 1314.9045410 1.10 1315.7982180 0.83 1316.8311770 0.28 1319.3747560 0.68 1320.2709960 1.11 1321.0289310 1.68 1323.0916750 2.21 1323.9226070 0.42 1326.0145260 2.13 1326.7767330 6.62 1328.0755620 1.98 1329.0150150 1.60 1330.0806880 1.99 1330.8309330 0.50 1331.9145510 0.27 1334.3905030 1.28 1335.3780520 1.69 1336.5284420 1.19 1337.5618900 0.06 1338.3748780 1.36 1340.6702880 0.64 1341.3699950 1.05 1342.6881100 1.97 1343.2933350 0.86 1345.0152590 0.60 1346.0307620 8.69 1346.8120120 0.22 1347.7432860 3.00 1348.6163330 1.76 1349.3248290 1.52 1350.3543700 1.15 1351.5565190 1.77 1352.3553470 1.12 1353.7258300 0.81 1354.9422610 1.95 1357.4486080 2.34 1358.2686770 1.62 1359.3664550 0.43 1362.0262450 0.67 1362.7662350 0.44 1363.8110350 0.30 1364.6029050 1.02 1366.0281980 0.11 1367.2312010 1.10 1367.9951170 0.10 1368.9018550 0.94 1371.5979000 4.06 1373.4414060 2.49 1375.4439700 0.60 1376.7191160 7.46 1377.4508060 0.18 1378.4078370 0.38 1380.0048830 0.61 1384.3253170 0.53 1390.2813720 0.47 1392.1773680 1.02 1393.3425290 0.88 1395.8591310 0.55 1398.8757320 0.11 1401.2391360 0.67 1402.9676510 0.75 1405.2694090 0.95 1406.5192870 0.52 1407.7314450 0.64 1408.5548100 0.48 1416.4727780 0.79 1420.5606690 0.06 1423.1727290 0.32 1425.7662350 0.66 1427.6630860 0.18 1428.9992680 0.34 1429.8095700 0.28 1432.2855220 0.29 1433.7944340 0.36 1435.8992920 0.86 1436.7307130 0.38 1441.3076170 0.35 1444.1156010 1.22 1445.5677490 2.19 1446.5518800 0.27 1448.2095950 0.28 1449.3382570 0.65 1452.7559810 0.55 1454.3675540 0.34 1460.5411380 0.96 1464.4439700 0.39 1466.1774900 0.47 1468.3090820 0.07 1470.7408450 0.16 1471.5014650 0.17 1472.1158450 0.27 1476.0644530 0.31 1477.5250240 0.22 1480.7017820 0.17 1486.5487060 0.86 1488.1184080 1.16 1493.6254880 1.71 1495.3856200 0.32 1496.5927730 0.39 1497.2186280 0.47 1498.4688720 0.23 1505.2572020 0.57 1506.7845460 0.38 1508.4520260 0.06 1510.0311280 0.62 1521.1558840 0.30 1522.8331300 0.21 1526.0948490 1.05 1529.7642820 1.77 1530.7979740 0.50 1531.5727540 0.26 1534.7254640 0.07 1537.9501950 0.14 1540.7325440 0.35 1545.5399170 0.90 1547.0174560 0.67 1550.1730960 1.13 1556.3103030 0.96 1557.6671140 0.59 1559.1372070 0.71 1562.9291990 0.47 1565.2799070 0.56 1568.0323490 0.08 1572.6079100 0.10 1580.1217040 0.09 1580.8054200 0.12 1583.8497310 0.37 1586.3093260 0.57 1590.1799320 0.81 1591.9051510 0.17 1595.3315430 0.84 1596.8159180 0.10 1598.4415280 0.62 1601.6499020 0.85 1612.3892820 0.44 1620.0065920 0.56 1628.8028560 0.07 1634.4954830 0.28 1635.7976070 0.21 1644.4515380 0.38 1645.4333500 0.62 1653.4898680 1.26 1655.8693850 0.10 1673.1968990 0.43 1673.8763430 0.45 1676.3641360 0.41 1677.3883060 0.47 1698.5355220 0.53 1709.6256100 0.16 1712.9400630 0.29 1713.7706300 0.12 1715.7279050 0.11 1722.6961670 0.41 1723.7608640 0.33 1724.4273680 0.15 1726.8775630 0.64 1756.0618900 0.05 1759.8519290 0.29 1767.3741460 0.35 1773.3615720 0.06 1781.9152830 0.52 1806.0494380 0.47 1808.0484620 0.23 1822.5925290 0.11 1824.0953370 0.14 1826.4698490 0.22 1880.1085210 0.33 1888.3709720 0.14 1893.2852780 0.15 1897.6204830 0.21 1913.0521240 0.27 1914.1805420 0.27 1917.1433110 0.17 1952.1995850 0.55 1978.3072510 0.83 1979.5743410 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5839 Annotation Scillanoside L2 Peak:m/z Relative Intensity 363.1022949 0.02 365.3509827 0.13 369.2982178 0.12 383.2358704 3.22 395.0396729 0.04 407.2428284 0.53 411.4637756 0.06 422.6183472 0.12 425.1902466 1.88 431.2387085 0.10 439.2549438 0.09 443.1745300 0.10 449.1739807 0.34 465.2112732 0.32 467.2596130 2.69 471.2822876 0.14 485.3123779 27.07 486.5023499 0.06 487.3947754 0.22 496.3030396 0.07 497.0805054 0.12 501.2004700 0.04 509.4032898 0.21 525.1664429 0.08 527.1818848 6.51 528.4500122 0.17 533.2370605 0.29 545.5986938 0.17 551.1614990 0.09 557.4157715 0.26 567.1806641 1.99 569.2452393 0.73 575.9185791 0.13 587.4161987 0.16 601.3544922 0.22 604.1444092 0.15 611.5035400 0.04 617.7144775 0.09 619.5679932 25.32 620.5231934 0.13 628.7476807 0.30 629.3677979 4.38 630.5344238 0.07 633.8527832 0.07 643.5145264 0.18 661.1528931 0.75 661.8015137 0.85 671.8598633 0.05 683.5592041 0.16 685.4229736 0.03 691.5573730 0.17 703.4865112 0.34 704.1187744 0.10 709.4861450 0.07 715.6438599 0.12 716.4608154 0.07 719.4031982 0.14 721.2051392 0.14 727.4220581 1.11 728.4633789 0.04 735.0548706 0.07 747.0568848 0.08 763.4523315 16.30 764.4659424 0.24 779.7210693 0.98 781.4594727 100.00 782.5710449 3.29 795.5860596 0.42 799.2686768 0.54 805.9331055 0.08 811.3735352 0.09 819.6586304 0.06 823.5375366 2.07 824.7015991 0.18 835.3191528 0.60 849.3775635 0.05 863.1109619 0.13 863.7155762 0.20 865.5705566 0.48 889.2355957 0.20 901.4722900 0.10 907.3627930 0.08 924.8021240 0.20 943.2276611 0.54 943.8453369 0.02 961.0966797 0.24 967.4713135 0.06 985.4224854 3.16 1015.4150390 0.09 1025.1156010 0.19 1027.2945560 0.73 1027.9672850 0.07 1033.3339840 0.81 1044.9954830 0.27 1067.0445560 0.35 1067.6940920 0.06 1069.7695310 0.31 1075.3405760 0.17 1087.6516110 0.07 1105.3297120 11.90 1106.5100100 0.02 1140.7666020 0.11 1147.1938480 0.80 1148.0657960 0.07 1187.3132320 0.68 1189.5351560 0.47 1201.2912600 0.13 1205.6289060 0.06 1206.5563960 0.04 1213.2465820 0.09 1219.1165770 0.19 1231.5341800 4.69 1232.5295410 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1247.6035 Annotation Colchiside B Peak:m/z Relative Intensity 395.2976074 0.02 426.2988281 0.02 437.6830444 0.04 455.5362244 0.40 456.6424561 0.04 467.1744995 0.79 468.1815186 0.12 485.0599976 0.02 551.2440186 0.01 570.3935547 0.02 577.1881104 0.02 577.9287720 0.01 599.3875732 0.10 617.4951172 2.38 618.6137695 0.29 619.4735107 0.03 631.8303223 0.01 634.5975342 0.01 681.7901611 0.03 713.7685547 0.02 725.4327393 0.16 726.0998535 0.01 761.6019897 1.08 762.7305908 0.14 778.1333008 0.02 779.5382080 100.00 780.5266113 13.78 821.4224854 1.03 822.4793701 0.08 861.4141846 0.26 862.6502686 0.02 879.4422607 0.03 923.5629883 0.08 963.9526367 0.02 983.4285889 0.02 1020.5134280 0.02 1103.3338620 0.08 1104.3482670 0.07 1127.5410160 0.01 1145.7225340 0.05 1185.8508300 0.01 1211.4738770 0.03 1226.0738530 0.03 1229.6462400 0.06 1230.2991940 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 656.2526 Annotation Unknow Peak:m/z Relative Intensity 185.9519348 0.14 189.0132294 0.31 191.0901947 2.01 193.2112427 0.20 195.0554504 0.78 197.9211121 0.16 202.0411835 0.91 202.9117432 0.15 204.9667053 3.13 207.0837402 1.51 209.0218506 100.00 210.1094513 23.54 211.1012878 0.09 212.9653931 0.22 216.0255127 0.14 217.1276550 6.77 219.3932800 0.39 220.8197937 0.20 223.0860748 9.34 224.1268921 0.53 224.9385986 2.44 226.0752258 0.24 228.1240845 0.65 229.2087097 0.19 231.2104950 1.48 232.0653534 0.10 233.1351013 0.33 234.9844360 0.75 243.1897278 0.29 246.8958740 0.43 249.1455688 5.19 254.1190796 0.84 256.1829834 0.08 261.1374817 8.62 262.3573303 0.40 270.6398926 4.40 271.4038391 0.65 272.1984863 0.72 274.2199402 0.22 276.2811890 0.07 277.2953491 0.10 279.0560608 17.36 281.4424744 0.26 287.1947021 0.44 288.9548950 0.19 292.1829224 0.10 293.2829895 0.08 296.1735840 0.81 299.0917969 0.72 300.3728943 0.70 301.1640625 0.05 302.8983154 0.33 305.1206665 0.16 307.0391235 0.13 309.4340210 0.28 311.0565186 0.54 316.1076050 0.11 319.1448975 0.23 323.2561646 0.19 330.1794434 0.53 331.2135010 13.32 335.0560303 0.08 337.2294922 0.63 339.2701111 1.04 340.2299805 0.17 341.2304077 1.88 342.4155884 0.21 343.1028442 0.21 344.3952637 0.17 346.2287598 0.24 347.4045410 0.21 349.4987793 0.42 352.5388794 0.06 353.2012939 0.20 355.1107788 0.22 356.4119263 0.61 357.4463501 0.06 363.0751953 0.45 365.1367188 0.25 366.2447510 0.29 367.4119873 0.11 369.1440430 0.61 371.2310181 19.09 373.1636353 0.34 377.3016968 0.28 379.4558716 0.09 381.0372925 0.11 381.9672241 0.26 383.2381592 2.99 384.4398193 1.82 385.0499878 10.71 386.1502686 3.79 387.1721802 0.88 388.1317139 0.35 389.8999634 0.07 397.3087158 0.70 401.1486816 13.81 403.1020508 2.47 404.2565308 0.13 405.1669922 0.46 409.4825439 0.05 411.4400024 0.21 415.2589111 12.78 417.5348511 0.29 418.3637085 0.55 423.4779053 0.17 426.4257812 0.32 427.4346924 0.26 429.0424805 0.54 430.4650879 0.53 431.2694702 1.06 432.3674316 1.79 432.9921875 16.15 433.6137085 0.79 436.9815063 0.48 438.6788940 0.40 439.4600220 0.12 444.4165649 0.08 445.4887695 0.19 446.3537598 0.82 447.0024414 2.37 455.2161865 0.28 456.0850830 0.29 457.4771118 0.16 466.6361694 0.33 470.2197876 0.65 473.1286621 0.13 476.0264282 0.70 477.3807983 0.52 481.1060791 0.10 483.2431030 0.17 483.9373779 0.09 486.2653198 0.97 487.1090698 0.45 492.0482788 0.21 493.2211304 0.94 494.2193604 1.06 494.8863525 0.09 495.5510254 0.29 496.6709595 0.28 498.8234253 0.17 500.4175415 0.69 505.3967896 0.10 506.0559082 0.27 510.2216187 0.35 512.0813599 0.87 523.4087524 0.31 529.2125854 0.43 534.8059692 0.40 537.3397217 0.17 538.8629761 0.11 541.6466064 0.64 544.5032959 0.08 547.9902954 0.98 549.1561279 0.31 553.0182495 0.50 554.3031006 0.70 557.4566650 0.27 563.2194214 3.34 564.2091064 0.11 564.9808960 0.28 567.0737305 1.33 572.8841553 0.40 577.3452759 1.43 578.5836792 0.08 581.6654053 0.93 586.4658813 0.22 587.5221558 0.87 589.3380127 0.49 593.2148438 0.40 593.8440552 0.11 595.7142944 1.66 596.5650635 2.03 597.2291260 0.12 598.3314819 1.38 599.1376953 0.30 602.9511108 1.02 603.6741333 0.36 605.0644531 0.46 606.5603638 0.07 608.0026855 1.07 609.8645020 0.14 610.5077515 0.24 611.8963623 0.93 613.6517944 0.91 614.8608398 1.09 617.8825073 0.77 618.9954834 1.44 620.9164429 0.52 623.0119019 1.70 626.4955444 1.41 627.3538208 0.41 628.5561523 0.12 630.2145386 0.68 631.8911133 0.29 633.5029907 0.67 635.0774536 0.10 637.1394653 1.16 638.3711548 1.21 639.0344238 0.62 640.5092163 0.58 642.4492188 0.14 644.4444580 0.21 647.0448608 2.30 648.5936890 1.25 652.9152222 0.72 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 426.29 Annotation Prostaglandin E2 serinol amide Peak:m/z Relative Intensity 155.0476227 12.45 169.1680603 4.58 171.3995972 2.77 176.3030396 6.78 202.1495361 5.38 205.1610413 6.63 234.8224792 7.54 239.6392822 12.14 260.9525146 3.10 265.0368347 7.30 270.6194458 5.21 281.0444336 13.82 289.1209717 3.00 298.1540222 7.37 305.8501587 11.72 310.8804321 11.22 314.1638184 2.55 323.365387 6.27 325.5055542 16.47 332.1981812 3.00 335.3904724 4.61 353.2868652 9.68 355.7355957 6.25 366.4342041 15.55 372.4447021 11.69 377.1643066 6.21 381.2022095 3.00 384.8768616 23.85 390.2128601 7.03 391.3151245 9.80 395.3830261 3.68 399.2657166 2.10 407.3473816 16.83 408.2694397 100.00 409.0739441 49.03 417.7153931 33.62 426.8573303 4.46 429.6753235 7.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1171.5513 Annotation Assamsaponin A Peak:m/z Relative Intensity 365.0168152 0.64 383.9028931 0.04 389.2308960 0.13 394.9115906 0.29 405.2755737 0.04 407.1564331 0.26 415.3767700 0.04 425.2946777 0.03 441.5571594 0.11 467.3243713 2.18 485.3572998 0.16 487.5729675 0.35 497.5093994 0.03 544.7821655 0.05 575.2045898 0.14 583.6420898 0.11 601.5206299 2.36 619.5911865 0.76 643.4659424 3.39 661.5448608 11.42 703.4930420 100.00 704.1801758 0.13 717.3809814 0.11 743.5156250 0.05 745.4152832 0.89 746.1094971 0.12 757.2927246 0.06 775.1461182 0.15 785.6258545 0.16 787.4652100 0.21 864.9907227 0.05 889.2263184 0.08 907.2894287 0.05 947.6882324 0.04 967.5721436 0.11 1027.2390140 11.33 1027.8536380 0.05 1037.2395020 0.10 1069.0102540 1.38 1069.6450200 0.41 1109.4289550 0.70 1113.2030030 0.13 1127.0842290 0.21 1149.5002440 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 849.4787 Annotation Unknow Peak:m/z Relative Intensity 243.0899200 0.11 255.0934143 0.35 256.1832886 0.09 259.4371033 0.14 263.2264099 1.59 264.1385193 0.04 268.0594788 0.08 271.0936279 0.15 272.0460205 0.14 280.3180847 0.16 282.2859497 0.17 286.2261353 0.15 297.1972656 0.15 300.1345215 1.51 306.1079102 0.07 311.9002380 0.10 316.1258545 1.78 316.9826050 0.23 322.1407166 0.14 330.2689209 0.31 332.0079346 0.10 333.3479004 0.27 338.0129700 0.12 340.2818604 2.05 342.3518982 0.24 348.1592407 0.05 351.0805664 1.27 352.4561157 0.21 353.3093872 0.12 355.3394165 4.17 356.1837769 1.66 376.1728516 0.17 379.1438599 0.19 381.3214111 0.12 384.2858887 0.08 385.4653931 0.51 386.3109131 0.09 392.0546875 0.10 394.3520508 0.21 395.1571655 0.97 395.8710327 0.09 397.3809814 0.12 401.4348755 0.49 402.1875000 0.20 403.2565308 0.35 405.4575195 0.28 413.3437500 0.37 414.3854980 0.46 416.6608887 0.24 419.0842896 0.66 421.2531128 0.36 423.3800049 0.08 429.1440430 1.06 433.3163452 0.32 434.7824707 0.05 436.6748047 0.29 439.4678955 0.33 445.5866089 0.06 447.3473511 0.93 448.4848633 0.50 449.4094238 0.24 452.0194702 0.37 453.2384644 3.72 454.2859497 0.46 455.3901367 0.12 462.1736450 0.13 463.3944702 1.23 464.4869995 0.48 468.3112793 5.25 469.3850098 1.15 470.3798828 0.41 472.8074951 0.37 488.5220337 0.33 489.1885986 0.12 491.1138916 0.23 493.6885376 0.18 496.6907959 0.17 498.3223267 1.03 499.3068237 0.35 500.6283569 0.60 502.4448853 0.14 504.3525391 0.40 505.3244629 0.33 508.1781616 0.26 509.3698120 0.22 511.7661743 0.18 516.2046509 5.93 517.4612427 2.00 518.3065796 0.31 520.0662231 0.11 521.6765747 0.12 525.3350220 0.05 526.7288818 0.12 528.7370605 0.13 529.4280396 0.19 532.2058716 0.24 533.4171753 0.63 534.6054077 0.18 537.3990479 0.05 538.5484619 0.56 541.3038330 0.09 542.2365723 1.12 548.0842896 1.39 550.6491699 0.09 553.4269409 0.51 561.5264282 0.08 562.5868530 0.80 563.4036255 0.47 564.3795776 0.39 565.6997681 0.87 566.4365845 6.12 567.3678589 2.03 568.2004395 0.26 569.0309448 0.32 573.3035278 0.12 577.2074585 0.17 581.4524536 1.95 582.8584595 0.54 586.1132202 0.07 587.2341309 0.54 588.4303589 0.20 590.5407104 0.31 594.1649780 0.67 595.3934937 0.88 597.4462280 1.26 598.9005737 1.44 599.5352173 0.21 601.3225708 0.98 602.7941284 0.16 604.2739868 0.32 605.4447632 1.39 606.5085449 0.88 607.6386108 0.20 610.2399292 0.94 611.4114380 1.90 612.3043823 0.22 615.3229370 22.73 616.3765259 5.16 617.5712280 0.62 618.9607544 1.22 619.6561890 0.23 621.4765015 0.45 624.5576782 0.49 627.4939575 0.08 629.3498535 9.22 630.3497314 2.02 631.1852417 0.35 633.0012817 1.26 635.6054688 0.33 636.3868408 0.59 638.0453491 0.92 639.4791870 0.29 641.8867798 0.12 644.0628052 0.19 644.9174194 0.18 645.7309570 1.14 646.8074951 2.35 647.5599365 1.55 648.7644043 0.09 651.1995239 0.27 652.9888306 2.64 654.1813354 2.12 655.1889038 5.53 656.2069092 0.81 657.3208618 0.59 659.5680542 0.63 661.9093628 4.40 662.5629883 5.84 663.5070801 0.62 664.5113525 0.72 665.3768921 0.13 667.9591064 0.25 668.6981201 0.24 670.2489014 1.14 673.5118408 0.92 674.4779663 0.08 676.4005737 0.80 678.1868896 1.51 679.0977783 1.68 679.8325806 0.48 680.5459595 1.51 681.6630249 0.07 682.6217651 0.43 683.2496948 0.27 684.3556519 1.41 685.2169800 1.79 686.3998413 6.11 689.0625610 1.21 689.7874756 0.10 692.3979492 0.86 694.4913330 32.16 695.4841919 9.01 696.5346069 2.18 697.5091553 2.07 700.4616089 2.04 701.5374146 1.29 702.5059204 4.93 704.6751709 6.79 705.6790161 0.47 706.6489868 0.12 709.7825317 9.07 710.5094604 9.58 711.6348267 41.74 712.5413818 9.72 715.2268677 0.37 715.8367310 0.42 718.7443848 24.25 719.6729126 5.59 720.4565430 0.38 721.1042480 0.43 722.6420288 0.38 724.5430908 2.24 725.4822388 0.21 728.4129028 32.06 729.4643555 13.16 730.5537720 0.89 732.3410034 0.14 736.5648193 1.42 737.5375366 0.37 740.4790039 0.18 741.4931030 1.32 742.3672485 3.58 743.3271484 1.26 744.7312622 1.45 745.6902466 4.30 746.7214966 1.47 747.6076660 0.18 748.6282349 0.16 750.4399414 1.35 752.3803101 0.43 754.2067871 27.99 755.1747437 3.59 757.5027466 0.26 759.2345581 11.63 760.1788940 0.45 761.3019409 0.21 762.5396118 0.14 763.4264526 0.75 765.5375366 0.16 766.5799561 0.11 768.2468872 100.00 769.2441406 17.82 770.6196899 1.04 771.8242188 0.51 773.3911743 0.32 774.8748169 0.79 777.1653442 3.17 778.3955078 28.19 779.4046021 15.29 780.5272217 3.37 781.9025879 0.14 784.1647949 0.11 784.8626709 0.45 786.8507080 0.43 789.2623901 0.78 789.9273071 0.27 790.8689575 0.66 791.7321167 0.44 792.8729248 2.42 793.8621216 2.02 795.3849487 0.47 796.3247070 0.07 797.6171265 0.67 801.1443481 0.33 806.1894531 0.72 807.5128784 55.47 808.5498657 23.99 809.5861816 5.62 810.8469849 1.20 811.4533081 0.19 813.5692749 0.99 814.4473267 1.50 820.1875610 1.48 822.2247925 0.12 823.4600220 5.22 824.4663696 2.74 825.1240845 0.31 828.6970825 0.40 829.3916626 0.29 831.7355347 0.63 832.4787598 0.30 833.7266235 5.43 834.7420044 1.73 835.4334717 0.06 837.4820557 0.80 838.4915161 0.16 839.5739746 0.39 840.5016479 0.94 841.4166870 1.51 842.9187622 0.91 854.3544312 0.14 855.5782471 1.49 856.6195679 0.40 857.2983398 0.81 859.2937012 0.70 861.4669800 0.92 870.3632202 1.75 871.4619751 1.33 872.4785767 0.67 874.6436157 0.18 877.1098022 0.12 878.7420044 0.10 880.5608521 0.65 881.4497681 0.45 882.7153320 0.14 891.3520508 5.43 892.5005493 3.62 893.5414429 0.72 894.5498657 0.09 895.2194214 0.22 896.6552124 0.16 898.5889893 0.29 902.6525269 1.98 903.8339844 0.89 904.4544067 0.09 905.9313965 1.38 906.6513672 1.85 907.6206055 0.39 908.7482910 0.33 913.7911987 0.31 914.8518066 0.24 915.5629272 0.21 920.5820923 51.92 921.6230469 20.19 922.4513550 2.86 923.0823364 0.12 925.0430298 0.68 936.2413940 0.17 939.6933594 0.28 940.7275391 0.10 950.5723267 0.39 951.8223267 0.58 952.8862915 0.70 954.1977539 0.92 955.1676636 0.50 965.3178711 0.12 966.1838989 0.18 968.7255859 0.71 969.7319946 4.31 970.7661133 3.21 972.1670532 0.50 972.7761841 0.43 973.7493286 0.59 975.5510254 2.12 976.3341675 0.59 977.6015015 0.22 979.8644409 0.05 983.4243164 0.85 984.1287231 0.75 984.7729492 0.07 985.5913086 0.08 988.8252563 0.23 989.6066284 1.21 990.2683716 0.06 990.9104614 0.07 993.4348145 0.32 994.5779419 0.19 1001.3945310 0.29 1007.7595830 0.66 1008.6671750 0.15 1011.4982300 0.40 1017.4421390 0.37 1018.6170040 0.43 1019.6081540 3.95 1020.6684570 2.56 1021.3269650 0.07 1028.7325440 0.13 1037.7204590 0.14 1043.2689210 0.07 1046.1237790 0.57 1050.6018070 0.28 1051.4639890 0.39 1054.5006100 0.09 1063.7416990 0.33 1064.6711430 0.15 1067.1315920 2.54 1067.9494630 2.36 1068.5961910 2.12 1070.2506100 0.61 1078.4916990 0.22 1079.7099610 0.28 1081.5029300 1.67 1082.4685060 4.60 1083.3850100 0.68 1084.4567870 0.88 1086.2904050 0.18 1088.6180420 3.29 1089.6218260 1.98 1090.8737790 0.34 1093.6354980 0.13 1094.8618160 0.40 1096.7008060 0.28 1097.9034420 0.05 1100.2066650 0.10 1102.4249270 1.65 1103.2454830 0.41 1103.8930660 0.44 1105.7319340 0.16 1106.7113040 0.35 1107.9023440 1.01 1112.3061520 0.21 1120.7683110 0.96 1121.7191160 0.42 1122.7452390 0.47 1123.8027340 0.51 1125.2917480 0.38 1132.7443850 0.34 1133.7170410 0.22 1141.8577880 0.16 1144.1040040 0.05 1149.3015140 0.13 1150.6693120 0.37 1151.9162600 0.13 1152.6239010 0.18 1157.4587400 0.54 1158.4301760 0.41 1162.5405270 0.46 1163.5378420 0.28 1164.5948490 0.20 1168.6660160 0.26 1174.7402340 0.14 1179.3818360 0.54 1180.6252440 4.41 1181.6145020 2.27 1182.6739500 0.74 1183.9637450 0.18 1194.5732420 0.14 1195.7324220 0.97 1196.5628660 1.00 1197.5761720 0.60 1199.8243410 0.10 1201.9057620 0.53 1202.5606690 0.37 1203.9848630 0.16 1204.8077390 0.25 1209.5897220 0.29 1210.2132570 0.08 1218.4995120 0.30 1219.7856450 3.73 1220.8321530 1.04 1221.8851320 0.43 1224.9586180 0.06 1227.7600100 0.17 1230.7432860 2.85 1231.8500980 1.54 1232.7343750 0.71 1235.6811520 6.53 1236.7135010 6.48 1237.5699460 0.18 1241.7668460 0.27 1245.9144290 0.21 1253.5509030 1.16 1254.9945070 0.18 1255.6090090 0.56 1270.8511960 1.02 1272.0047610 0.23 1272.7507320 0.43 1274.5433350 0.13 1277.4367680 0.14 1288.5999760 0.25 1289.3503420 0.29 1290.1038820 0.62 1291.7706300 0.15 1293.8288570 0.27 1303.7611080 0.16 1304.9044190 0.06 1305.7183840 0.07 1306.6405030 0.21 1307.5576170 0.51 1308.9779050 0.71 1310.1093750 0.58 1311.1973880 0.36 1312.1561280 0.23 1318.4708250 0.29 1321.9246830 0.39 1322.7259520 4.56 1323.8706050 1.62 1324.5959470 1.10 1325.7659910 0.20 1326.7373050 0.26 1327.7733150 0.19 1332.5134280 0.07 1353.0628660 0.21 1358.8665770 0.53 1359.8791500 0.55 1360.9904790 0.47 1366.3951420 0.34 1367.7673340 0.37 1368.9062500 0.30 1376.7906490 0.25 1393.8983150 0.47 1397.1107180 0.15 1400.7762450 0.15 1403.6582030 0.23 1406.5739750 1.18 1407.6625980 0.35 1417.5330810 0.17 1418.7285160 0.35 1421.7340090 2.37 1422.7224120 1.62 1423.7877200 1.04 1435.8371580 11.76 1436.8090820 8.63 1437.9688720 3.15 1490.3063960 0.11 1518.5898440 0.11 1534.8782960 4.35 1535.7413330 1.27 1536.3887940 0.11 1537.0501710 0.53 1549.4989010 0.15 1552.6024170 0.37 1569.6343990 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 477.1609 Annotation 7-Methoxydiderroside Peak:m/z Relative Intensity 152.9289856 0.61 161.1495209 0.97 179.2421875 1.56 207.0572205 24.34 215.0338440 0.89 223.9427795 1.46 236.1126099 0.25 237.0806427 1.06 251.2471313 1.90 269.0505981 100.00 269.6694946 0.13 348.2551880 1.01 355.3816528 0.28 395.1311951 0.30 417.1750183 1.86 429.2702332 0.28 430.4860535 17.85 431.2228088 34.22 431.8531189 0.31 433.5870667 0.61 443.0721130 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 556.1966 Annotation Acrimarine-N Peak:m/z Relative Intensity 160.1815033 0.07 166.2373962 0.08 167.3226624 0.17 177.0979309 0.90 179.0714722 2.51 184.0147400 0.04 192.1253357 0.22 195.3460693 0.05 197.1480255 0.17 201.6770172 0.10 210.1379700 1.51 212.9942017 0.16 226.4167786 0.05 235.0303192 0.03 236.1748810 0.17 242.1157227 0.08 247.0378723 0.13 254.1765442 5.27 255.2838287 0.14 272.1475220 5.75 273.2188721 0.04 288.1849670 6.40 291.6661987 0.06 292.5631104 0.09 296.4125977 0.04 306.1503296 100.00 310.3056641 0.20 314.4017334 0.15 328.1266479 0.17 333.1536255 0.41 333.8996582 0.10 359.2041626 0.11 362.3316040 0.13 363.3862305 0.05 374.6705933 0.06 375.2766724 0.10 378.0747070 0.09 384.4186401 0.03 392.7941895 0.05 410.1266479 0.15 415.3052979 0.03 416.5986938 0.09 426.3380127 0.60 427.2924805 0.09 435.2792358 0.08 438.4565430 0.08 439.8101807 0.04 440.4580078 0.08 449.8038940 0.03 453.3721313 0.05 454.1995239 0.74 459.4140015 0.31 474.1196289 0.13 475.4152222 0.54 476.0560303 0.07 480.3760986 0.17 495.2050171 0.36 497.5401001 0.20 506.7278442 0.09 509.3129272 4.20 510.2620850 1.26 511.2744141 0.17 512.2260132 0.37 517.4251099 0.27 520.1857300 0.69 521.3402710 0.08 522.6055298 0.03 524.4081421 0.42 526.5083618 0.60 533.2993774 0.22 537.4619751 1.34 538.4121094 1.52 542.2596436 0.13 546.5147095 0.23 547.3019409 0.50 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 858.6978 Annotation Unknow Peak:m/z Relative Intensity 279.2388306 0.04 280.0448914 0.04 284.0038147 0.35 297.3731079 0.02 330.3417358 0.02 336.1882324 0.10 342.0515747 0.03 373.3039551 0.12 382.5374756 0.05 384.3477783 0.09 391.1274414 0.09 399.2311401 0.58 410.3505859 0.04 425.1868286 0.03 440.0563965 0.10 448.5289917 0.10 460.4744263 0.03 465.1346436 0.11 466.1380005 0.22 469.2095337 0.04 480.2807007 0.10 483.1961670 0.06 486.1573486 0.11 487.3015747 0.05 491.2166138 0.03 504.7595825 0.57 505.4623413 0.62 506.8338623 0.08 512.3175049 0.06 519.4760742 0.04 524.4186401 0.06 527.4764404 0.03 533.0273438 0.06 538.4464111 0.06 541.4739380 0.35 548.0471191 0.07 553.3502197 0.06 561.4753418 0.91 567.5057373 0.12 570.7031250 0.23 573.5609131 0.22 574.3859253 0.15 580.3955078 0.50 581.4174194 0.56 584.5635986 0.03 586.3031006 0.07 590.4260864 0.15 591.3211060 0.15 597.3066406 0.14 608.4343872 0.06 612.0714722 0.08 614.8262329 0.23 616.5294800 0.07 620.0333252 0.14 628.8214111 0.04 633.5733032 0.09 634.2916260 0.07 642.0961304 0.16 642.9077759 0.57 649.5139160 0.03 650.3189087 0.15 657.3316040 0.48 657.9779663 0.12 666.0498047 18.25 666.6758423 9.71 668.4222412 0.35 669.2996216 0.08 670.3512573 0.03 673.4403687 0.06 684.4603882 0.15 686.4324341 0.10 687.4301147 0.09 696.7423706 0.20 709.6447754 0.08 711.0181274 5.06 711.7431641 1.44 713.4820557 0.24 714.6371460 0.14 715.2929688 0.11 719.1267700 0.05 721.4920044 0.05 723.8399658 0.67 724.8396606 0.02 739.6897583 0.22 753.0079346 0.25 755.1365356 0.13 761.4441528 0.04 765.4534302 4.43 766.3327637 0.41 768.3894653 0.54 771.5712280 0.13 773.3645020 0.13 775.5903320 0.05 777.8648071 0.07 779.1787720 0.30 779.9339600 0.06 781.8501587 0.10 785.2393188 0.03 786.3044434 0.08 787.8207397 0.29 791.2473755 0.36 792.2196045 0.10 795.5723877 0.27 796.5435181 0.51 797.6512451 0.05 800.6273804 0.35 801.4766235 0.41 803.0490112 2.75 803.7144165 0.53 804.8275757 3.17 805.5252686 0.21 806.3401489 0.22 807.1199341 0.14 809.4111328 100.00 811.0689087 1.87 812.0079956 0.74 813.2678223 1.08 814.1804199 1.28 815.5230103 0.18 816.6118164 0.24 817.8132935 0.02 819.5620117 0.42 820.2112427 0.17 820.9420776 0.03 826.2051392 0.12 827.3397217 0.16 828.1452026 0.19 828.9467163 0.26 832.4125977 0.10 833.4732056 0.05 834.8964233 0.29 836.6553345 0.12 837.7689209 0.28 839.3058472 0.05 840.8288574 2.83 841.6535034 0.60 842.8653564 0.17 844.6202393 0.28 845.6216431 0.09 846.5192261 0.50 847.5202637 0.09 850.0606689 0.58 873.5731812 0.06 874.4416504 0.26 875.1514282 0.15 877.4592896 0.30 878.7466431 0.18 879.5014038 0.08 895.4819946 1.24 896.4321899 0.80 897.2837524 0.22 898.1199341 0.08 900.9485474 0.21 904.4140625 0.19 906.6443481 0.09 910.5017700 0.32 911.5440063 0.07 913.4724121 0.18 916.8493652 0.78 917.5784302 1.11 918.3812866 0.35 919.7919922 0.10 921.5241089 0.04 925.8541870 0.06 928.3718872 0.12 938.4336548 0.06 940.3076782 0.44 941.6428223 0.10 942.6769409 0.02 945.8937378 3.05 946.5039062 1.66 947.5079956 0.72 949.4281616 0.14 950.8742065 0.03 952.2697144 1.65 953.1680298 0.51 953.9726562 0.67 954.5766602 0.01 955.7741089 0.14 959.0957642 0.03 960.0862427 0.11 963.6845703 0.03 964.5805054 0.26 965.9168091 0.30 973.6511230 0.25 975.6008911 0.04 976.7240601 0.05 978.3610840 1.11 979.0704956 0.22 980.8203125 0.19 984.3852539 10.10 985.5132446 0.43 988.4503784 0.15 989.0590820 0.08 991.1334839 0.20 993.7299194 0.05 1002.4631960 0.11 1008.5095830 1.87 1009.5796510 0.72 1010.5310670 0.34 1014.3298340 0.22 1017.4612430 0.38 1018.5473020 0.19 1020.8930050 0.12 1021.5098270 0.41 1023.5525510 0.57 1024.2781980 0.37 1027.3332520 0.97 1028.2525630 0.31 1029.3396000 0.08 1030.6751710 0.28 1034.3615720 0.46 1035.4565430 0.34 1036.2376710 0.14 1036.8784180 0.25 1042.8481450 13.35 1043.5773930 2.70 1044.3117680 0.53 1045.9698490 0.60 1046.6907960 3.63 1049.1677250 0.17 1049.8187260 0.12 1051.6230470 3.35 1052.3768310 1.62 1054.8542480 0.21 1057.1137700 0.09 1058.2700200 0.37 1060.7658690 0.09 1063.0693360 0.06 1065.3790280 0.25 1066.0311280 15.10 1067.0690920 3.46 1068.2071530 0.12 1070.5539550 0.12 1072.6679690 0.48 1073.3389890 0.43 1074.2407230 0.23 1075.1049800 0.03 1076.6405030 0.23 1077.3504640 0.03 1078.8122560 59.29 1079.9895020 1.85 1080.8500980 0.43 1081.5373540 0.28 1082.2530520 0.23 1083.2993160 0.16 1084.9376220 5.35 1086.1120610 0.14 1086.8979490 0.23 1087.6594240 0.08 1089.4431150 0.08 1090.7624510 0.95 1093.5125730 0.06 1098.7054440 0.13 1101.5661620 0.18 1102.2749020 0.18 1104.6997070 0.12 1121.5897220 2.82 1122.6921390 1.18 1123.6542970 0.09 1124.2678220 0.10 1126.6005860 0.04 1131.2529300 0.16 1139.3320310 0.23 1140.3040770 0.33 1144.9611820 0.06 1147.4608150 6.35 1148.2680660 2.46 1148.9133300 0.19 1151.3117680 0.10 1156.7158200 0.12 1157.7200930 0.20 1161.4797360 0.05 1184.7757570 0.05 1189.9384770 0.15 1190.8253170 0.06 1195.9138180 0.10 1201.5418700 0.07 1204.0174560 3.18 1204.9113770 0.60 1205.6810300 0.10 1214.2348630 1.13 1215.2305910 0.60 1225.1735840 0.08 1230.9473880 0.07 1256.8374020 0.20 1260.5305180 1.43 1261.3444820 0.08 1266.3341060 0.05 1267.8726810 0.10 1274.7796630 0.03 1284.5922850 1.16 1285.5207520 0.89 1286.4874270 0.48 1288.7659910 0.14 1289.8227540 0.03 1297.8063960 0.11 1310.2620850 0.44 1314.2393800 0.14 1314.9198000 0.20 1323.7290040 0.05 1329.0535890 0.11 1330.9027100 0.77 1331.7554930 0.35 1332.8743900 0.03 1347.0010990 0.10 1382.6751710 0.05 1383.9930420 0.14 1389.0572510 0.07 1403.8767090 0.05 1417.8646240 0.04 1420.5784910 0.06 1429.4698490 0.08 1430.3077390 0.32 1447.8519290 0.05 1477.6727290 0.04 1494.1987300 0.13 1505.6212160 0.09 1510.7066650 0.05 1522.0252690 0.07 1598.8004150 0.10 1620.8073730 0.05 1662.1524660 0.09 1695.7359620 0.09 1699.8211670 0.03 1761.2419430 0.06 1792.9473880 0.05 1807.2467040 0.03 1835.8829350 0.04 1851.3781740 0.07 1860.5137940 0.09 1902.9484860 0.07 1903.9959720 0.05 1937.8055420 0.11 1998.3817140 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 466.2 Annotation Unknow Peak:m/z Relative Intensity 161.2262573 0.28 161.9943237 0.05 164.0328674 0.06 175.1251221 0.11 183.0543518 0.06 187.3961792 0.20 190.1518250 0.11 195.2549133 0.09 200.1390381 0.06 201.0263977 0.25 209.2188110 0.10 211.1098175 0.12 216.0929108 0.09 225.0303345 0.13 228.3957214 0.31 230.1924286 0.17 232.3336639 0.06 234.2587891 4.85 237.6834412 0.41 238.9111633 0.17 250.0441895 0.07 260.2079468 1.44 266.2241516 0.24 273.4863586 0.11 274.2955322 0.08 297.2088928 0.16 298.3506165 2.45 301.0519714 0.06 301.6656799 0.73 308.4538269 0.30 317.0911560 0.20 318.0462341 0.06 319.1212158 7.02 320.1196594 0.57 324.3061829 0.31 331.9814453 0.13 337.1363525 0.43 345.1627502 0.40 358.1729126 0.37 359.4026489 0.17 363.2272644 100.00 363.8381042 0.22 373.1806946 0.55 373.8830872 0.25 377.4191589 0.07 381.0676270 50.54 381.7790833 0.17 383.3987122 0.10 387.3782959 0.21 389.3332825 1.95 391.1351013 0.30 392.0703735 0.40 395.2557678 0.32 399.1722412 0.21 401.6965637 0.43 403.3812256 0.11 406.2129211 0.13 407.2732544 0.04 407.9012756 0.27 409.4882812 0.57 413.7472229 0.06 416.6768188 0.20 421.8288879 0.52 422.4755554 0.67 423.9615173 0.14 425.1735840 0.15 425.9248962 0.12 428.4397278 1.17 431.4916077 0.15 434.5506897 0.09 435.7330933 0.37 441.6874084 0.44 445.4427185 0.29 446.9038391 0.37 448.1694641 5.86 448.8721619 0.40 450.6835022 0.38 452.1440125 0.97 456.6902771 2.12 457.7102661 1.28 458.6194763 0.22 459.6912537 0.67 479.6345520 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1495.6525 Annotation Junceoside B Peak:m/z Relative Intensity 467.2563171 0.30 485.1934814 0.03 487.5689697 0.06 502.8002319 0.03 515.6077271 0.05 527.2646484 0.01 583.4942627 0.05 619.5115356 0.03 629.5472412 0.05 709.5233154 0.03 727.8952637 0.13 745.4483643 0.42 763.5458374 1.13 775.1737061 0.03 781.4182129 0.94 805.5088501 0.97 815.3486328 0.04 823.4934082 3.20 824.5592041 0.38 847.4282227 0.15 861.1767578 0.11 865.5436401 1.31 877.9580078 0.05 889.0664673 0.04 889.7029419 0.15 905.5624390 0.05 907.5120239 0.71 919.4835205 0.04 925.5400391 2.83 926.6192627 0.19 943.6282959 2.22 944.5827637 0.11 949.5076904 0.34 950.1177979 0.03 967.4768066 11.61 968.6018066 0.26 985.4881592 27.58 986.5964355 0.80 1009.4643550 0.51 1025.7297360 0.05 1027.4476320 100.00 1028.5916750 2.86 1067.7576900 0.04 1069.5617680 0.69 1081.6325680 0.03 1109.4685060 0.22 1249.6524660 0.02 1291.5576170 0.07 1309.2907710 0.37 1333.1496580 0.04 1342.4694820 0.03 1350.7387700 0.02 1351.4205320 1.08 1352.7297360 0.09 1391.1759030 0.05 1393.4262700 0.21 1432.9832760 0.02 1435.0953370 0.08 1435.7545170 0.06 1449.1594240 0.11 1465.3792720 0.06 1469.1361080 0.10 1473.3928220 0.01 1477.4116210 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1233.5889 Annotation Nigelloside B Peak:m/z Relative Intensity 379.5596008 0.03 408.0115051 0.09 423.2681274 0.04 425.1744385 0.01 431.1337280 0.02 467.2724609 1.16 468.1745300 0.03 470.4898071 0.03 471.4833984 0.13 472.4717407 0.02 525.7115479 0.04 567.8446655 0.02 603.5457764 2.14 604.4533691 0.33 617.8906250 0.01 699.5914307 0.01 711.3978271 0.06 734.8239746 0.03 747.5698853 0.64 748.6621094 0.05 763.7233276 0.04 765.5258789 100.00 766.5043335 15.87 767.1102295 0.16 807.5532227 0.73 808.5506592 0.22 847.6192627 0.29 848.7886963 0.03 909.6604004 0.02 952.4659424 0.02 969.5312500 0.03 1089.7180180 0.01 1090.4781490 0.03 1129.6262210 0.02 1131.6530760 0.07 1159.5999760 0.02 1191.6771240 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 636.1969 Annotation Unknow Peak:m/z Relative Intensity 218.9543762 0.02 221.0874634 0.02 250.5649719 0.02 262.3855896 0.03 293.8016663 0.07 305.1445923 0.06 312.0163269 0.04 323.1033325 0.13 337.4696655 0.02 341.0128784 0.50 357.9533081 0.02 383.1424561 0.24 395.3858032 0.03 399.0770874 0.02 413.0018311 0.10 414.1522827 0.03 425.0053101 0.27 442.4641724 0.03 443.2395630 0.56 443.9833374 0.02 451.4035645 0.02 455.4031982 0.03 472.7969360 0.03 473.4187012 0.02 485.0850830 0.08 489.5963135 0.04 494.9958496 0.01 495.9627686 0.05 501.8395996 0.03 503.2140503 100.00 504.2698364 7.99 513.9577026 0.01 530.0387573 0.22 530.9592285 0.03 538.1198120 0.03 546.2451782 0.02 561.2770996 0.07 587.6872559 0.05 588.7804565 0.06 589.4157104 0.04 617.1989136 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1265.5801 Annotation Platycodin A Peak:m/z Relative Intensity 364.9904785 0.11 383.3925781 0.08 393.3325806 0.29 394.8179932 0.14 395.4541016 0.19 397.4239807 0.12 407.4093628 0.90 411.5861206 0.36 413.4906311 0.35 415.4605103 1.23 416.3453369 0.23 423.5377808 0.19 425.2113037 1.41 425.8662109 0.14 441.5023499 0.77 443.3800659 4.19 444.1925049 0.22 460.5029907 0.05 467.1960449 2.11 468.0325012 0.11 473.5919800 0.42 485.4302368 0.04 487.4245605 30.67 488.4567261 2.72 510.0932617 0.08 527.6832886 0.08 529.5546875 0.22 545.4369507 22.59 546.5501099 1.63 557.5463867 0.06 559.2230835 0.15 571.2114258 0.15 599.3373413 2.95 600.5223389 0.52 605.4749146 0.13 649.1051025 0.07 650.3880005 0.05 691.5678711 0.14 779.2337646 0.80 797.3918457 100.00 798.4926147 11.12 811.3184814 4.39 812.4361572 0.49 839.5002441 0.35 853.4097900 1.01 854.5026855 0.04 869.3482666 0.20 879.3060303 0.04 892.9798584 0.57 906.5595703 0.16 918.5540771 0.08 923.9671631 0.03 941.5849609 0.26 942.7756348 0.13 955.4685059 3.75 956.5603027 1.15 1058.6613770 0.29 1067.5117190 0.03 1106.0505370 0.57 1121.1755370 0.19 1163.5168460 0.05 1218.2692870 0.13 1236.1773680 0.14 1247.4830320 0.46 1248.4632570 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 632.2101 Annotation Unknow Peak:m/z Relative Intensity 179.0169525 3.28 180.0990753 0.08 187.1259155 0.04 191.2843933 0.04 197.3076172 0.08 202.8658447 0.19 207.8990936 0.08 215.1803131 0.66 216.0826874 0.08 217.1878204 0.02 221.0994415 0.16 221.8793335 0.20 225.9419708 0.07 229.0595551 0.05 230.4340057 0.10 233.0329895 2.09 234.1576385 0.50 235.9312897 0.09 238.0628662 0.20 239.2152405 0.09 245.1629944 0.13 246.1754761 0.04 249.3015442 0.05 254.0959778 0.04 258.0459595 0.04 269.8110352 0.03 271.2358398 0.18 273.2316895 0.23 273.8799438 0.18 274.4807129 0.03 275.7256470 0.10 284.1875000 0.11 287.4437256 0.14 288.9752808 0.20 290.1400146 0.47 290.9989929 0.51 292.1221008 0.32 299.9478455 0.27 305.9808960 0.08 308.0869751 100.00 309.1119080 23.01 311.0028381 0.06 312.1677246 0.07 313.1346436 0.05 314.2784424 0.07 317.3207092 0.09 322.9209595 0.20 324.9470215 0.03 329.2595825 0.12 330.9808350 0.02 336.2869873 0.05 339.4679565 0.11 341.0580444 7.29 342.1013184 1.84 350.0371704 0.04 351.3462524 0.05 354.1211548 0.07 355.3735352 0.14 376.9553833 0.13 381.2737427 0.02 382.3106689 0.01 386.1244507 0.36 388.4418335 0.12 395.0791626 0.79 395.8978882 0.51 397.9682007 0.12 399.7371826 0.25 400.3605957 0.29 405.0985718 0.06 407.4836426 0.14 409.2014160 0.05 410.4778442 0.05 413.2195435 0.13 416.2912598 0.25 417.2489014 0.26 419.0914917 0.12 428.3226318 0.02 431.4155884 0.10 434.2406006 1.05 435.5002441 0.13 436.5440063 0.26 442.2280273 0.08 444.0170898 0.03 452.1323242 0.46 453.0155029 0.51 454.2119751 0.23 455.0850220 0.05 456.4443970 0.04 458.9641724 0.04 459.9796753 0.06 464.4525146 0.04 467.5007935 0.12 468.1618652 0.05 470.0977783 87.69 471.0898438 33.17 472.5151367 0.16 473.4091187 0.13 474.4496460 0.04 481.5067749 0.07 485.1770020 0.06 491.2234497 0.09 495.6896973 0.03 497.0530396 0.18 499.1037598 0.13 500.2012329 0.16 502.9862061 1.52 504.1721802 0.14 508.2794800 0.11 511.8934937 0.24 513.1596069 0.26 514.5866699 0.07 515.6781616 0.12 516.3140869 0.18 517.3694458 0.13 518.5875244 0.11 520.6943359 0.09 525.2667236 0.38 526.1851196 0.21 528.7415771 0.07 530.4563599 0.04 532.4638062 0.06 539.6006470 0.23 540.3610229 0.08 542.3771973 0.05 543.1616211 0.59 544.2059937 0.02 546.9201660 0.07 547.5729370 0.22 548.2203979 0.10 549.2477417 0.09 553.2115479 0.05 557.3087769 1.19 558.2998047 0.18 560.0678101 0.04 562.8511353 0.04 566.9998169 0.07 568.6091919 0.03 570.6837158 1.02 571.3563843 0.13 572.1286011 0.11 573.0444946 0.10 574.5435181 0.06 575.5708008 0.03 577.8737183 0.24 579.2659302 0.09 582.5126343 0.10 583.6717529 0.09 587.4303589 0.08 588.5027466 0.07 590.2152710 0.20 592.6422119 0.50 596.0770874 0.46 598.5534058 0.17 600.2606201 0.23 601.3019409 0.04 601.9700317 0.08 603.0899048 0.40 605.8096313 0.26 606.7100220 0.10 608.7025146 0.32 609.3129883 0.30 613.0151978 0.45 614.3108521 2.56 615.2612915 1.36 616.2176514 0.22 618.0276489 0.25 620.1599731 0.35 621.3940430 0.32 623.8643799 1.01 624.6080933 0.10 626.6088867 0.19 641.3485107 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1142 Annotation Lactulose Peak:m/z Relative Intensity 341.1372070 100.00 341.7861328 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 433.7339 Annotation Unknow Peak:m/z Relative Intensity 135.9187469 0.17 139.0136414 0.19 144.2003784 0.26 158.8200378 0.08 160.9350586 0.05 175.1117554 0.15 177.9063110 0.06 184.0082092 0.63 199.1121216 0.22 201.1949921 0.35 207.0452118 0.05 212.2419128 0.30 217.0727997 0.40 219.1918945 0.76 220.1435699 0.06 233.1510010 0.64 235.2115479 0.03 236.9792786 0.29 239.0340576 0.18 244.1848145 0.24 256.9494629 0.15 259.1953125 0.10 261.1468811 0.12 266.0462036 0.09 268.3708801 0.24 269.5670166 0.05 270.9725647 0.18 272.1047668 0.94 273.1262207 0.14 284.2232056 0.54 286.1289978 0.15 292.1593018 0.13 295.1999817 0.07 296.0589905 1.08 297.2320862 0.08 304.2950134 0.30 306.2933960 0.06 309.2034912 0.06 311.0538330 0.10 312.4431763 0.14 314.1243896 2.10 317.2795410 0.77 319.3564148 0.17 321.0863037 0.06 323.1721802 0.11 323.9872437 0.12 325.3613892 0.16 326.4876709 0.07 327.9730225 0.79 328.5829468 0.25 329.9611816 0.22 331.0073242 0.56 332.2907104 0.33 334.2445984 0.17 336.8151245 0.17 339.0471191 0.15 345.6743774 0.16 346.6707153 7.92 347.4102173 0.37 349.3217773 0.28 355.2516174 0.96 356.3292847 1.08 356.9519043 0.68 359.0452881 0.52 359.7321777 0.09 363.6100159 0.05 365.3354187 1.30 367.3131104 0.12 369.3277283 20.72 370.5185852 0.14 373.3327026 0.39 376.4046326 0.22 379.2030945 0.23 382.1812134 8.53 384.3779907 0.31 385.0000916 0.13 385.6598816 0.11 387.0231934 0.43 388.9491882 0.49 389.6272278 0.16 395.3277283 0.57 396.6042480 0.38 397.3466187 3.66 398.1425476 0.14 401.1078186 0.11 405.4799500 0.15 411.6670837 0.51 415.2403259 2.55 416.0673218 0.33 417.6908875 23.22 418.5680237 1.84 419.3701477 0.80 420.0328674 0.41 421.3141479 0.30 422.0752258 0.06 422.8303223 0.38 424.7646179 12.51 425.6260376 1.45 427.3486328 0.73 428.5274353 0.08 432.8276672 0.13 440.4767761 0.14 454.5569763 0.19 455.3249207 0.11 460.2883606 0.17 470.3755493 3.77 476.1557922 0.33 478.4446411 0.17 480.3821411 1.30 482.6045227 1.26 483.3313293 0.05 486.1094055 0.30 487.3993225 0.20 496.4806519 0.41 498.2912292 22.90 498.9879456 0.13 504.2266235 1.34 505.7350464 0.08 510.0210266 0.19 511.3374329 0.45 520.0396118 0.05 520.6963501 0.42 527.4852905 0.68 532.0741577 1.43 534.0444946 0.32 536.0245972 0.17 537.6209717 0.42 543.6362915 0.69 551.3722534 0.78 555.7647095 0.34 557.4909058 0.46 568.5119629 1.16 569.5370483 0.07 571.6856079 0.20 577.4883423 0.37 578.0991211 0.18 581.5502319 0.05 582.9793091 0.41 583.9269409 0.22 586.2626343 0.05 593.5651855 0.12 594.3588257 0.39 595.2691650 2.27 598.3040161 0.05 599.3864746 0.90 600.5260010 0.37 604.5637817 0.69 607.1513672 0.28 609.7675171 0.14 611.4494019 0.20 615.6824951 0.07 616.3767090 0.09 624.5577393 0.21 639.1840820 0.06 650.4543457 0.38 653.3792114 0.19 654.5733032 0.44 655.5164795 0.16 656.3603516 0.09 666.3495483 0.13 669.2553711 0.06 674.5866089 0.09 678.5216675 0.15 681.3577881 0.10 692.3928223 2.19 706.5958862 0.17 712.7531738 0.07 719.2097168 0.18 722.2366943 0.23 730.6586304 0.06 731.5314331 0.36 734.7161865 0.03 744.5167847 0.31 745.4976807 2.36 755.6439209 0.04 759.5293579 0.53 763.3871460 100.00 764.2675781 0.07 767.2670898 0.09 768.1597290 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 704.3556 Annotation Unknow Peak:m/z Relative Intensity 217.1565552 0.96 218.1312408 0.17 249.9856110 0.13 280.9666748 0.12 284.3410034 0.35 287.9686279 0.27 297.3938904 0.44 308.2517090 0.17 309.3015137 0.10 315.9151306 0.28 318.3294067 0.18 358.4418945 0.25 373.9270630 0.16 410.0076294 0.15 431.1060181 0.09 444.0748291 0.07 481.2680664 0.37 483.4190674 0.12 507.2583008 0.27 509.4038696 0.11 525.2219238 0.12 528.6986694 0.18 534.3734131 0.38 540.3324585 0.19 542.3106079 0.23 543.3737793 0.20 553.2062378 0.10 559.3639526 0.13 561.3686523 0.38 574.3572388 0.19 575.0009155 0.81 596.2568359 10.36 596.9290771 0.39 598.7858276 0.08 601.0953979 0.12 623.4180908 0.20 627.2518311 0.24 638.7745972 2.13 644.0815430 0.12 647.8306274 0.37 648.5494385 0.36 652.7905273 100.00 654.2863159 0.32 655.4946899 1.71 656.9113159 0.96 658.2075806 0.25 659.2039185 0.26 660.0786743 0.13 664.8486938 0.39 666.4346924 0.05 668.1260986 0.21 668.9805908 0.24 671.0842896 0.17 678.7534180 0.36 680.9558105 0.54 686.6557617 0.25 688.3850098 6.94 689.0067139 0.05 698.9806519 0.17 727.6747437 0.98 738.3512573 0.19 745.1812134 0.19 746.3495483 0.29 776.5286255 0.12 777.9141235 0.45 822.5650635 0.19 829.1478271 0.27 847.5927734 0.25 857.3779907 0.10 861.8276978 0.36 874.5002441 0.80 892.5902710 0.17 893.3201294 0.52 906.6421509 0.31 921.7900391 0.23 927.4214478 0.39 947.3403320 0.37 971.6148071 0.15 977.7726440 0.33 988.1948853 0.22 989.7817993 2.59 990.6061401 0.11 1077.6953120 0.05 1091.9938960 0.18 1120.6129150 2.02 1121.4897460 0.45 1145.7683110 0.12 1163.6195070 0.24 1164.3271480 0.10 1175.9207760 0.21 1191.5720210 16.77 1192.5383300 3.61 1243.9660640 0.57 1305.6740720 0.20 1341.4393310 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 311.15 Annotation Bidenoside C Peak:m/z Relative Intensity 93.0810852 0.03 95.0023727 0.04 100.1512833 0.04 100.8556976 0.05 106.9174957 0.05 110.0032272 0.10 117.0352020 0.05 121.1122055 0.12 122.9711609 0.09 124.8380432 0.24 126.9748154 0.04 133.0840149 0.08 136.0794830 0.10 137.9486237 0.05 141.1101685 0.10 142.9692230 0.05 150.7760315 0.14 152.8551025 0.03 154.8049622 0.11 157.1702118 0.34 160.9686584 0.10 164.1625977 0.04 165.1340027 0.12 167.1300964 0.07 170.0733032 0.15 170.9205170 0.04 173.0724792 0.06 177.1369324 0.53 183.0553284 0.25 184.1229553 0.06 185.4511566 0.05 186.9756470 0.15 188.3084717 0.03 189.2679749 0.24 192.9840088 0.15 195.1637573 0.42 197.4039307 0.03 199.1354980 0.32 201.2164917 0.17 207.1168213 0.06 209.1040649 100.00 211.1697998 0.21 213.1845703 0.07 218.2471008 0.11 219.4967957 0.03 220.9717407 0.74 223.1910400 0.11 225.0973816 0.02 226.8533325 0.26 227.9736023 0.03 229.8483887 0.34 231.3069153 0.09 232.2582092 0.09 233.2455444 0.34 237.2586670 0.34 238.2274475 0.05 239.1617126 0.39 241.2230835 0.24 243.2978821 0.07 249.0314636 0.25 251.0731812 0.26 251.7364197 0.07 253.2409058 0.32 255.0723267 0.02 261.8955078 0.06 262.7388916 0.03 264.3500366 0.04 265.2154541 0.36 267.0778198 0.44 268.8869324 0.19 269.9478149 0.16 273.2350464 0.05 275.2577515 0.69 278.9744873 0.14 280.0143433 0.08 281.0764771 0.13 283.1222534 1.18 292.2664490 0.29 293.2536011 6.66 293.9869385 0.14 297.4986572 0.05 302.5864258 0.83 310.2572021 0.24 311.2802734 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 359.0982 Annotation 3-Methoxy-4-hydroxyphenylglycol glucuronide Peak:m/z Relative Intensity 112.8678741 0.16 118.7998734 0.02 123.0016861 0.16 128.0149536 0.04 135.2485962 0.06 138.0604858 0.56 153.0416260 0.38 160.9882202 0.02 165.0857239 0.04 167.1706543 0.02 172.8215942 0.03 179.2457123 0.03 182.0514832 3.14 182.7406921 0.02 191.0781555 0.14 197.0821686 100.00 207.0252533 0.06 229.0920410 0.40 230.2695618 0.13 239.1250305 0.71 241.0256042 0.03 242.1852722 0.04 243.3956604 0.25 253.2438660 0.04 271.3395386 0.05 273.1099243 0.02 285.3172607 0.03 287.2732239 0.04 290.2985229 0.03 291.2174377 0.03 299.1436768 0.06 301.1945190 0.07 312.2604675 0.09 313.0548706 0.22 314.1898193 0.04 315.2933960 0.21 325.1084595 0.04 327.3222656 0.65 341.1570740 0.13 344.2665100 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 491.1616 Annotation Unknow Peak:m/z Relative Intensity 146.8944092 0.18 147.6823425 0.35 149.0092163 100.00 205.0722656 0.13 209.1448517 0.15 222.2555847 0.31 223.1350403 0.24 252.1938171 0.14 274.0387573 0.16 299.3188171 0.29 306.3527222 0.17 329.3848267 0.32 334.1040039 0.16 341.3722839 0.18 342.2616882 0.25 355.4159241 0.12 362.1080933 0.97 379.3825073 0.18 385.2463379 0.12 403.0306396 0.12 417.0892029 0.23 446.4729919 0.17 447.7839661 0.46 455.1071472 0.19 473.3906555 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1375.609 Annotation Unknow Peak:m/z Relative Intensity 422.8425903 0.03 425.4969788 0.02 467.2633057 0.78 485.2672119 0.07 509.2158508 0.05 583.3875732 0.01 601.4951172 0.53 619.6417236 0.20 643.6083984 0.08 655.7353516 0.03 661.5286865 0.13 667.8621826 0.03 669.8342285 0.02 671.5166016 0.09 683.7719727 0.13 684.5298462 0.05 697.5233154 0.07 699.6085205 0.16 701.4437256 0.01 703.6409912 0.04 709.5644531 0.03 719.3909302 0.08 723.7599487 0.04 727.3717041 1.90 728.0344238 0.08 728.6923828 0.06 737.5764160 0.04 745.5274658 1.10 757.6345215 0.08 763.5061646 2.73 764.6505737 0.08 769.3895264 0.20 781.6086426 0.70 786.9564819 0.09 787.6328125 0.75 805.4956665 9.82 806.4482422 0.21 823.4694824 10.51 824.2977905 0.10 835.4294434 0.02 847.4818726 8.28 848.5382080 0.23 863.6472778 0.10 865.3841553 49.17 866.4073486 1.32 867.1162109 0.03 875.7293091 0.06 887.4332275 0.14 889.6225586 0.05 905.2988281 0.07 907.4091797 100.00 908.4351807 2.18 948.4409180 0.03 949.6065674 0.33 950.4674072 0.03 963.4022217 0.02 973.5307617 0.03 1003.5291750 0.03 1051.4943850 0.11 1189.1667480 0.04 1231.3248290 0.35 1253.6085210 0.02 1287.2796630 0.06 1297.3330080 0.05 1332.9974370 0.05 1333.6887210 0.06 1339.3890380 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 410.0912 Annotation Unknow Peak:m/z Relative Intensity 123.9334030 0.29 125.8420181 0.10 151.8818970 0.71 153.3008118 0.05 167.9083099 2.84 170.0740356 0.18 171.8157043 0.10 179.2874298 0.06 186.0807648 0.03 195.9519958 35.16 196.5586700 0.15 201.4274750 0.04 202.0618286 1.62 214.0874329 1.76 230.1166687 2.10 244.9247742 0.18 246.9881897 0.11 248.1062622 1.90 270.0987244 0.05 277.3582153 0.02 304.2366333 0.58 348.1218567 1.69 350.2743225 0.11 364.0271301 0.96 365.2564087 0.08 366.2563477 0.09 392.1131287 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 803.4028 Annotation Unknow Peak:m/z Relative Intensity 226.2361755 0.26 228.1750183 0.11 244.2001343 0.21 247.4800110 0.18 251.2069092 0.27 266.3294373 0.25 268.3423157 0.14 272.2478638 0.40 277.9677124 0.22 280.0621338 0.19 290.1510010 0.11 292.1565552 0.08 295.2424011 1.32 296.1253357 0.40 299.3809814 0.06 307.3901367 0.37 311.2508850 0.26 313.1246338 1.12 314.3654785 0.25 316.3177795 0.15 318.2983093 0.15 325.2338867 1.06 326.0622864 0.32 327.1731262 0.22 328.0139771 0.04 329.4297791 1.12 330.2667542 0.51 335.1934814 0.53 343.2922058 0.56 346.2833252 0.04 347.0451660 0.13 350.1345215 0.10 353.4144592 0.37 354.1299438 0.15 356.4364014 0.12 357.3218994 0.13 363.2476196 0.71 372.2890320 0.09 377.3028564 0.07 380.3366699 0.29 381.1373901 0.10 389.3853149 0.58 391.2255249 0.37 394.4161987 0.28 395.2949219 0.26 408.2976685 1.58 409.3001099 0.09 412.3370361 0.31 414.7292480 0.08 424.2297363 0.16 426.3555908 0.89 427.5389404 0.14 428.3629761 0.16 433.3725586 0.09 438.0106201 0.26 441.3167114 0.11 444.2807617 0.43 445.2719116 0.17 451.1156006 0.31 453.2073364 0.11 458.2371826 0.12 459.6293335 0.58 461.5091553 0.16 464.8427124 0.06 473.4921875 0.26 476.1151733 0.36 477.2757568 0.53 477.9246826 0.08 480.5447388 0.34 481.8691406 0.33 484.0534668 0.35 484.7000122 0.05 486.4699097 0.07 488.0039673 0.39 489.7374878 0.16 491.2461548 0.33 492.0900269 0.05 495.5108643 0.32 497.3580933 1.54 499.2382202 0.54 502.4224854 0.20 505.3220215 1.39 506.0785522 0.58 507.2327271 2.74 508.2760010 0.35 510.2461548 0.38 511.3075562 0.22 516.3206787 0.58 523.6132812 1.18 524.4971924 0.88 525.2449341 2.27 526.3497925 0.18 527.8948975 0.06 531.0695801 0.55 532.1163330 0.94 537.1785278 0.09 540.0007935 0.89 541.2927246 3.59 542.2988281 0.75 543.3372192 0.18 548.9336548 0.61 552.6012573 0.78 556.0968628 0.33 556.7737427 0.15 559.5861206 0.19 565.0128174 0.22 566.8988647 0.30 571.7202759 1.56 572.8709106 1.52 574.0642700 0.75 574.9494019 0.63 579.0976562 0.31 580.3107910 0.26 581.3048706 0.93 582.4475708 0.05 583.7848511 0.26 586.4522705 0.25 587.7708130 0.73 588.6484985 0.31 589.3922119 0.15 594.3269653 0.18 594.9696655 0.48 595.6127319 0.13 596.9489136 0.99 597.7867432 0.18 598.4266357 0.47 600.5626831 0.84 602.2621460 0.15 605.4493408 0.21 606.4530640 0.18 609.6768188 1.01 612.0310059 0.07 612.7930908 0.22 616.6001587 1.76 619.6498413 0.06 620.5228271 0.21 621.8060303 1.28 622.8051758 0.41 623.4899902 0.36 624.3230591 0.11 625.0925903 0.53 627.1964722 0.70 628.1782837 0.74 629.3810425 0.96 630.7277222 1.71 631.5894165 0.70 632.6623535 0.26 636.2276001 3.35 637.1067505 1.90 638.0693970 1.17 640.3615112 14.76 641.6031494 3.92 642.6556396 0.18 644.8971558 5.99 645.7084961 4.61 646.7733765 0.79 648.4635620 0.80 650.3137817 1.77 651.2223511 0.12 654.1946411 0.57 655.3864136 0.57 656.4387817 0.54 657.5401611 0.46 658.9735718 1.62 659.6759644 0.98 661.9577026 0.72 662.6810303 0.59 666.1886597 0.60 667.8755493 0.84 669.6443481 0.89 670.4581909 0.18 671.7033691 0.99 672.5473022 0.74 673.3466187 0.15 674.7040405 0.19 676.3645020 1.03 677.0399170 1.39 678.0196533 0.63 678.6746826 0.04 679.6051025 0.28 680.6557617 6.77 681.6013794 0.41 685.3606567 7.07 686.0454712 18.07 687.2935181 0.90 688.2765503 1.23 689.1687622 0.20 690.1118774 0.18 693.1597900 0.17 694.6151123 74.11 695.4695435 3.73 696.3119507 1.55 697.1369629 0.73 698.4174194 0.24 700.2306519 0.65 703.9641724 0.34 705.5559692 2.25 708.8536987 0.61 718.4636841 0.15 720.5000610 1.29 721.6575928 0.82 723.9885864 0.56 726.4392700 1.05 727.4060669 1.82 728.2484741 0.73 729.9208374 8.04 730.6317749 8.04 731.9665527 0.89 733.5215454 0.10 735.2383423 20.54 736.1070557 7.82 737.0697021 0.17 738.6499634 0.54 740.4653320 0.14 744.1414185 100.00 745.1369019 7.37 746.2696533 2.27 746.9086304 0.25 747.5361938 0.15 748.4886475 0.49 751.6207275 0.23 752.7853394 1.10 753.8373413 11.01 754.4909058 7.90 755.1773682 0.07 759.2800903 0.23 760.5878296 0.86 761.6056519 0.34 762.6782837 0.40 763.4243774 0.25 764.9092407 0.38 767.1139526 0.22 769.2162476 0.27 772.4856567 3.62 773.2597046 1.26 776.6399536 0.94 777.3713379 0.43 778.9230957 0.33 780.5515137 4.01 781.3942871 1.43 782.4713745 0.39 783.8524170 1.83 785.4336548 3.78 786.2105713 4.79 786.8549194 0.07 787.7091675 0.15 789.0675659 0.36 790.1979370 0.18 793.4234009 0.54 794.4885864 6.07 795.2373047 3.81 808.4848022 0.19 813.5641479 0.18 816.3973999 0.08 826.4860229 1.31 827.3975220 0.57 840.9598389 0.24 847.5159912 2.19 848.4875488 1.25 849.5290527 0.49 854.4642944 0.08 861.2545776 0.20 863.7521973 0.62 864.8756714 0.16 866.8167114 0.23 874.6943970 0.18 880.1665649 0.88 883.5700684 0.69 885.0194702 0.09 887.8069458 0.21 891.2370605 0.39 892.5222778 0.32 900.7446289 0.15 901.5571289 0.24 905.5839844 0.23 907.7871094 0.09 917.7592163 1.29 918.6051636 0.17 924.8559570 0.31 927.2833862 0.09 929.4337769 0.27 931.2141113 0.25 936.0036621 0.48 936.6859741 0.25 941.3964233 0.73 946.6083984 1.17 947.6439819 1.52 948.6787720 0.48 949.3973999 0.58 950.7607422 0.17 956.6239624 0.11 960.5797729 0.18 962.5942993 1.81 963.5641479 2.51 966.5456543 14.30 967.7056274 5.46 968.6935425 0.88 971.2453003 0.60 972.3698730 0.33 974.2681274 0.45 975.2380981 0.29 976.8534546 0.09 977.5751953 0.33 980.1036987 0.09 982.5686646 3.21 983.7106934 0.74 984.9097290 0.33 990.7890015 0.17 993.3444824 0.13 997.4643555 0.53 998.6112671 1.06 999.9378052 0.13 1004.7675170 0.38 1005.4652710 0.09 1007.3753050 0.30 1009.2951660 0.67 1010.8914180 0.07 1011.7005000 0.15 1012.5846560 0.09 1013.8598020 0.51 1016.6301880 0.39 1017.4265750 0.24 1019.3381350 0.31 1027.0080570 0.64 1030.5134280 0.46 1031.6212160 0.25 1032.6441650 0.10 1046.0866700 0.59 1046.7636720 0.04 1047.5826420 0.13 1048.7431640 0.10 1061.6950680 3.22 1062.6977540 2.79 1063.7661130 0.13 1064.6723630 0.92 1065.9321290 0.18 1072.7214360 0.27 1073.8723140 0.27 1075.4318850 0.28 1077.0004880 0.36 1079.7349850 0.74 1081.5778810 12.82 1082.5910640 6.06 1083.5251460 0.19 1085.4066160 0.27 1087.7448730 0.12 1091.9072270 0.05 1096.6259770 4.31 1097.6699220 2.45 1098.5906980 0.07 1103.6132810 0.29 1117.3161620 0.18 1117.9216310 0.30 1122.3282470 0.48 1126.6799320 0.36 1128.9165040 0.30 1129.7828370 0.40 1133.4599610 0.64 1134.9010010 0.09 1145.2220460 0.35 1146.2111820 0.95 1155.5471190 0.12 1157.6843260 0.24 1160.9432370 0.64 1161.6719970 0.49 1162.9204100 2.36 1163.9113770 0.93 1164.7266850 0.18 1174.7580570 2.29 1175.7216800 0.32 1176.6734620 0.19 1177.6394040 0.07 1178.9392090 0.17 1191.6754150 0.30 1193.1174320 0.26 1194.5874020 1.73 1195.2004390 0.58 1195.8615720 1.17 1196.6107180 0.32 1198.7451170 0.27 1200.1135250 0.46 1201.8243410 0.18 1206.9759520 0.09 1209.6867680 0.19 1211.2922360 0.14 1214.8104250 0.10 1218.4846190 0.20 1219.2907710 0.47 1230.9206540 0.13 1239.1257320 0.28 1242.9504390 0.99 1243.9271240 1.14 1245.2133790 0.61 1256.8624270 0.08 1257.8261720 0.28 1259.6531980 5.49 1260.3646240 2.30 1260.9783940 0.97 1261.7430420 1.02 1263.0413820 0.68 1264.0281980 0.18 1265.0177000 0.59 1265.9144290 0.51 1267.6544190 0.12 1270.6090090 0.25 1271.7336430 0.36 1272.5474850 0.14 1273.9996340 1.04 1281.6794430 4.54 1282.7120360 2.28 1283.8548580 0.40 1288.3505860 0.28 1289.7901610 0.05 1290.9515380 0.39 1299.7738040 0.29 1300.9946290 0.44 1301.8465580 0.27 1303.0584720 0.13 1314.6395260 0.18 1316.7518310 2.99 1317.8187260 1.04 1318.7086180 0.08 1323.9866940 0.14 1345.6702880 0.18 1346.8233640 0.21 1350.9837650 0.08 1359.5599370 0.46 1360.4685060 0.15 1370.8319090 0.33 1371.5178220 0.35 1372.2596440 0.13 1373.6287840 0.32 1387.7371830 6.48 1388.8172610 5.78 1389.9444580 1.34 1391.5490720 0.24 1392.4685060 0.90 1393.0853270 0.06 1393.9295650 0.05 1409.9261470 1.10 1410.7048340 0.61 1412.0323490 0.18 1469.4919430 0.33 1471.2454830 0.66 1487.8188480 0.27 1506.5958250 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 339.1543 Annotation Pyriferine B Peak:m/z Relative Intensity 116.8172913 0.03 127.2452469 0.06 132.0673828 0.33 133.2165680 0.04 142.1067963 0.25 143.0738831 0.05 146.0348511 0.11 155.9607849 0.05 159.9927216 100.00 160.7932434 0.37 172.2008667 0.15 173.9665833 0.31 175.0306396 0.02 176.9829102 72.27 178.1436462 0.02 184.1266785 0.54 185.1276398 0.10 186.0170898 0.17 187.1061554 0.28 189.1084442 0.48 190.0350189 0.16 192.5343018 0.29 195.1608582 0.10 200.0944061 0.33 201.0224609 2.32 202.0910034 3.11 203.2876282 0.04 205.1466675 0.02 207.0491333 0.17 209.3308105 0.03 209.9870605 0.03 213.1625061 0.22 213.9817810 0.05 219.1930237 3.54 226.0666199 1.72 229.8450623 0.05 232.3534546 0.06 238.2750244 0.06 240.1925964 0.04 242.3021851 0.29 243.1945190 1.13 244.4215698 0.15 245.2791138 0.08 246.3516846 0.15 250.0888977 0.46 252.3643799 0.05 255.1091614 0.14 256.2215576 0.12 257.1809082 0.08 259.2200623 0.07 261.0983276 0.07 264.1467285 0.10 265.2436829 0.09 266.8401794 0.28 267.4959717 0.12 268.2325745 0.35 270.0397949 0.08 271.1869507 0.06 273.1497803 0.06 274.1446838 0.63 275.1222839 0.09 279.0758972 0.15 285.2196960 0.75 286.1325989 0.79 292.1753235 4.27 293.3119812 0.35 294.3651428 0.06 295.9180603 0.05 297.3374023 0.03 303.1356201 1.91 304.1556702 2.15 305.2307739 0.04 306.4999084 0.24 308.3551025 0.09 309.1100464 0.04 310.1767883 0.79 311.2066040 0.05 317.2218018 0.06 319.0192871 0.16 321.1698608 6.44 322.1709595 65.64 324.1381226 0.03 329.3071289 0.12 330.6327515 0.04 332.7303162 0.14 333.7747803 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 518.18 Annotation Unknow Peak:m/z Relative Intensity 148.8677673 0.02 155.2454529 0.03 159.2483978 0.16 161.9679871 2.55 167.0569153 1.25 169.1052704 0.05 170.9682159 0.04 179.0856323 8.53 181.0417633 0.85 182.2610168 0.05 184.9433594 0.10 187.0317383 0.32 188.0239258 0.04 189.9582520 0.03 193.0555573 0.15 197.0459900 0.03 198.0135193 0.03 198.8982086 0.14 205.2161865 0.12 211.0482025 7.99 213.3216858 0.02 214.0253906 0.03 215.0029907 0.13 216.2013855 0.08 217.2502136 0.02 218.6029358 0.08 221.0783691 0.04 227.1276093 0.41 228.0615540 0.06 233.1056824 2.07 245.1649780 0.03 247.2452240 0.07 256.1291199 0.19 258.2550049 0.27 259.2201538 0.05 260.2152710 0.04 268.2586365 0.16 272.1945190 0.14 274.1645813 0.89 275.5759277 0.05 276.9653320 0.05 286.0199585 0.15 290.2044678 0.79 291.2871094 0.16 292.1455078 0.95 299.5766907 0.17 300.2284546 0.40 302.2560425 0.10 304.2388306 0.39 308.1653442 100.00 309.1828613 0.12 310.2521362 0.34 311.2319946 0.10 313.0900269 0.04 316.1396484 0.02 318.1937256 0.11 320.0033569 0.18 324.3314819 0.13 328.1895142 0.10 330.7252808 0.14 333.2494507 0.08 342.3256836 1.20 343.4523926 0.05 347.8893433 0.06 352.1378174 0.19 355.2838745 0.14 356.3206787 0.08 357.3240967 0.62 361.2359619 0.05 363.9500732 0.02 368.2750854 0.07 370.4126587 0.28 371.1668091 0.66 372.0848389 0.27 376.2850342 0.05 379.3634644 0.17 383.2473145 0.02 384.1850586 0.08 385.2346191 1.41 387.2063599 0.06 388.2978516 1.14 389.0331421 1.78 392.7180786 0.20 396.5636597 0.07 397.3303223 0.06 399.0140991 0.21 405.3108521 0.10 406.5088501 0.08 413.1614990 4.67 414.5396118 0.09 415.2355957 0.26 416.0529175 0.10 417.7158813 0.24 423.1396484 0.02 424.3061523 0.35 425.3822021 0.02 426.3516235 0.05 428.3140259 0.03 429.2951050 0.32 432.4152832 0.20 436.7218018 0.26 439.0532227 0.02 440.3154297 0.14 442.1527710 0.04 443.1928711 0.49 458.1535645 0.16 458.7769775 0.02 459.4075928 0.07 462.9746704 0.18 464.2094116 0.09 469.8952637 0.13 473.1492920 0.12 474.7528687 0.18 482.8535767 2.15 484.0932617 0.17 484.8921509 0.09 485.6669312 0.11 487.5094604 0.20 488.8710327 0.41 491.0896606 0.29 499.4053955 1.05 500.3804932 4.67 501.6152344 0.29 503.7333374 0.12 506.4942627 0.06 508.2669067 0.34 509.1520996 0.53 510.2152710 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1291.5967 Annotation Unknow Peak:m/z Relative Intensity 365.1795959 0.01 407.6350708 0.02 425.2501221 0.03 467.2246704 0.68 468.2061157 0.05 485.5116577 0.01 543.6279907 0.01 565.2579956 0.02 569.3269043 0.02 587.3863525 0.04 601.5317383 0.07 617.3332520 0.04 618.0196533 0.02 619.6268311 1.49 620.5319824 0.03 641.5396729 0.06 657.3806152 0.01 661.5473633 0.10 673.5662842 0.03 683.5873413 0.02 715.4694824 0.06 727.5534668 0.13 733.4382324 0.04 741.8419189 0.01 745.6036377 0.09 763.5129395 11.62 764.6616211 0.83 781.5246582 27.36 782.6663818 1.18 805.4400635 0.62 823.4436035 100.00 824.4415283 6.20 825.1311035 0.05 845.2294922 0.02 861.7478027 0.03 862.9383545 0.01 865.4042969 0.64 866.5386963 0.19 905.3995361 0.17 967.6490479 0.11 968.5039062 0.01 1027.2645260 0.03 1042.1806640 0.01 1047.6101070 0.01 1061.7044680 0.07 1087.2344970 0.02 1107.4243160 0.01 1147.3073730 0.18 1148.1966550 0.03 1189.6867680 0.01 1229.3957520 0.08 1231.8428960 0.01 1247.5773930 0.04 1249.7746580 0.04 1250.5781250 0.03 1273.2509770 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 674.2961 Annotation Unknow Peak:m/z Relative Intensity 255.2341309 0.04 325.2268677 0.06 333.4973755 0.03 346.5010376 0.06 395.3403320 0.10 405.2326050 0.04 406.8193359 0.10 410.0729370 0.05 416.3793335 0.12 425.3298950 0.16 427.4584351 0.04 430.6491089 0.09 449.2456665 0.02 453.5028687 0.24 467.2498779 2.56 468.7671509 0.04 471.6549683 0.12 476.5710449 0.03 485.3670044 0.04 511.5726318 0.11 512.8485718 0.15 513.5112305 0.72 517.0243530 0.04 525.4040527 0.10 541.7357788 0.11 560.3837891 0.19 574.4759521 0.02 576.7450562 0.04 578.5188599 0.05 588.7980347 0.03 600.2823486 0.05 615.6658325 0.06 616.4882812 0.24 627.2421265 0.09 628.5393677 0.12 633.6223755 1.46 636.6148071 0.11 638.9878540 0.08 640.3641357 0.34 641.4921875 0.18 644.1344604 0.18 652.3392944 100.00 653.0062866 10.34 653.8637085 3.00 654.9445190 0.54 655.6806030 0.52 656.7492676 0.68 657.5001221 0.51 658.5593872 0.56 659.4884033 0.02 660.3886108 0.06 661.8600464 0.03 662.5401611 0.12 663.5586548 0.08 665.4395142 0.03 675.3806763 0.08 777.8534546 0.09 819.5744019 0.34 837.4877930 13.06 838.4837036 0.47 879.4984741 0.13 909.4086914 0.22 1143.1676030 0.14 1143.7810060 0.13 1161.0988770 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 548.77 Annotation Unknow Peak:m/z Relative Intensity 212.9255066 0.86 296.2783813 1.75 296.9006348 13.45 380.0281372 4.14 380.7773438 67.47 386.7277832 0.12 428.7439575 0.20 442.8547363 0.04 447.4351196 0.06 458.5587769 0.04 462.0682373 0.36 463.8144531 8.27 464.5430908 100.00 465.4255981 0.04 484.8286743 0.19 488.7395630 0.26 503.0324707 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 881.4512 Annotation Unknow Peak:m/z Relative Intensity 482.9645996 0.05 610.3742676 0.20 672.1371460 0.09 774.3328857 0.08 794.2357788 0.14 795.7546997 0.21 796.5656128 0.10 808.3679199 0.13 835.0726929 0.10 837.4867554 65.73 838.5908203 100.00 846.4418335 0.11 852.7416382 0.04 864.1026001 0.11 865.0534058 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1074.52 Annotation Unknow Peak:m/z Relative Intensity 347.8958130 0.08 365.8355713 0.09 367.4798584 0.05 394.8969727 0.17 406.9978638 0.11 409.6897583 0.09 425.3964233 0.26 463.5368652 0.21 467.2166748 1.90 468.3811646 0.66 469.3751526 0.39 471.6259460 0.32 472.4689941 0.58 473.4609070 1.28 474.6410522 0.10 485.1668091 0.25 525.2496338 0.21 561.6663818 0.14 594.3192749 0.09 603.5238037 54.16 604.5172119 100.00 605.5028076 94.92 606.4750977 18.46 607.0881348 0.06 645.3316650 0.13 646.6099854 0.19 687.7471924 0.12 708.1700439 0.25 734.1143188 0.11 792.5471191 0.15 808.1318359 0.16 922.0480957 0.07 927.2335205 0.60 928.1467285 0.96 929.4980469 2.48 930.4700928 1.06 958.3161621 0.05 969.8896484 0.13 1012.6848140 0.23 1032.3764650 0.13 1049.9643550 0.25 1052.6030270 0.11 1056.1823730 1.33 1057.6219480 0.09 1059.1018070 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 215.03 Annotation 2-C-Methyl-D-erythritol 4-phosphate Peak:m/z Relative Intensity 71.0384216 1.42 82.9956360 1.43 89.1284943 1.65 106.8036346 1.69 113.0211334 2.68 118.8338623 3.53 130.9394989 6.17 143.1791229 7.68 149.1148224 1.63 161.0313568 8.48 179.0048981 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 588.2211 Annotation Unknow Peak:m/z Relative Intensity 169.9564819 0.09 175.1134644 0.10 177.0584106 0.07 179.0301666 18.86 179.9576721 1.53 186.9511108 0.31 188.1923523 0.11 190.9267731 0.07 193.1368408 0.40 193.9833069 0.09 198.0446320 0.05 199.1117859 0.06 203.2394867 0.06 215.1114807 1.24 216.0865326 0.17 219.4112701 0.02 223.0002441 0.02 225.9777832 0.02 227.0493469 0.05 231.3815155 0.03 233.1283417 3.87 234.0472717 0.35 236.1911926 0.03 237.1005859 0.22 238.3236084 0.05 244.0094757 0.02 244.6300354 0.04 245.2301178 0.58 246.0764313 0.02 247.1596680 0.15 251.1587830 0.19 258.1235352 0.06 263.4176025 0.09 264.1752014 0.07 267.0822144 0.09 272.1777954 0.33 273.1362305 0.10 274.2338257 0.01 277.8094482 0.04 280.9889526 6.29 281.9425049 0.81 290.3422241 0.57 291.1464844 0.39 292.1892700 0.27 298.2595825 0.01 300.2705688 0.03 306.0892334 0.11 308.0792847 100.00 309.1882324 8.78 311.0400391 0.03 312.2948303 0.03 320.9602661 0.01 322.3453979 0.02 326.0664673 0.04 339.1121216 2.72 340.1595459 0.56 342.4295654 0.03 343.4999390 0.12 356.0047607 0.67 357.1213989 0.17 361.3110352 0.10 369.2214966 0.01 371.7965698 0.04 376.1300659 0.22 377.4736938 0.03 385.0217285 0.01 389.7394409 0.03 392.7287598 0.21 393.3323975 0.44 394.4937744 0.20 396.3408203 0.05 400.0457153 0.01 406.4241333 0.01 412.1010742 0.02 415.0940552 0.13 418.0194702 0.03 418.7982178 0.03 419.4269409 0.06 421.2178345 0.04 425.1813965 0.15 427.5451050 0.08 430.9314575 0.02 441.1209106 1.89 442.0851440 0.26 443.3894653 0.04 450.1753540 0.08 456.2530518 0.14 458.9954834 17.96 460.0701904 3.46 468.0888062 3.17 469.2022095 0.65 472.2886963 0.25 473.8642578 0.13 477.4665527 0.01 484.3966064 0.02 485.3612061 0.14 486.3248291 0.10 487.3330688 0.04 488.9793701 0.05 489.6644287 0.13 492.2663574 0.10 493.5856323 0.10 495.1960449 0.32 496.0390015 0.03 499.5148315 0.08 501.3239136 0.07 502.5029907 0.19 504.4846802 0.05 505.6077881 0.11 510.5496216 0.10 513.2208862 2.81 514.1643677 0.30 515.8593140 0.10 522.8664551 0.14 523.6779175 0.11 525.0646362 0.12 528.7310181 0.13 531.5341797 0.02 534.4848633 0.05 536.0267944 0.16 536.8985596 1.01 537.8967285 0.23 539.3485718 0.06 544.3249512 0.14 547.2282104 0.04 549.7946777 0.04 550.7301025 0.05 552.0125122 0.07 554.7462769 0.08 555.6843872 0.05 556.6843872 0.02 558.6090088 0.03 561.3405151 0.04 568.2958984 0.05 570.0899048 6.06 571.3181763 1.36 572.4542236 0.15 573.1877441 0.29 576.1672974 0.09 579.3870239 0.10 593.6961060 0.04 595.3117065 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 589.3622 Annotation Unknow Peak:m/z Relative Intensity 173.3655396 0.69 177.1785889 0.23 179.3413239 0.16 189.0065918 4.02 194.9254456 0.17 195.5758057 0.19 197.2080078 0.14 199.5818939 0.14 201.0214691 0.37 206.9792480 0.24 209.1734314 0.09 210.8794556 0.15 215.0370178 0.27 217.3287659 0.60 218.1239777 0.26 219.1201172 0.10 221.3540344 0.21 226.4818726 0.17 234.2571869 0.17 235.2348633 0.13 239.9452515 0.11 242.1550446 0.33 244.2996674 0.29 245.2560425 0.32 251.2258911 0.06 260.3266602 0.07 261.1874695 0.10 262.5607910 0.22 265.1000977 0.16 273.3905945 0.09 274.0731201 0.18 281.6490173 0.19 284.9353027 0.26 288.2776489 0.23 291.4125366 0.13 292.1363525 0.22 296.3857422 0.22 305.0275879 0.05 307.3604736 0.45 309.2298889 0.19 310.2863159 0.10 311.2318726 0.07 312.0797729 0.14 318.2186890 0.16 323.4152832 0.29 324.2810669 0.10 327.2222900 0.21 328.1818848 0.09 329.2822876 0.10 329.9753418 0.13 331.3242188 0.64 337.5155640 0.19 339.4939575 0.08 340.5889282 0.65 341.4589233 0.18 343.2230835 0.36 344.5455322 0.58 345.3150635 0.21 346.9497070 0.40 350.3217163 0.08 353.4359131 0.50 356.2677612 0.06 357.2493286 0.54 360.3061523 0.19 362.3092041 0.05 367.0892944 0.07 371.5911255 0.12 374.0037231 0.16 375.3917236 0.38 376.3267822 0.42 379.2307739 0.11 381.1406250 0.11 382.4938354 0.42 383.3923340 0.15 385.2903442 0.85 386.6055908 0.14 392.0093384 0.12 393.0671387 0.23 394.3479614 0.09 395.2360229 0.19 396.9100342 0.60 400.4697876 0.43 402.2767944 0.22 406.5822754 0.32 407.4915161 0.37 409.0423584 0.26 411.3419800 0.24 413.3562622 0.28 414.7260132 0.40 415.3751831 0.47 417.0805054 0.83 418.0335693 1.12 424.5166016 0.38 425.2423706 0.07 426.1556396 0.36 426.8005981 0.18 427.5144043 0.33 429.3862915 0.18 437.1962891 1.19 438.5134888 0.78 440.2406616 0.35 440.9765625 0.09 443.4928589 0.41 444.2576294 0.13 445.1367188 1.11 450.4073486 0.46 451.3812866 0.17 452.4692383 3.37 453.3103027 0.71 454.6716309 0.47 455.4011841 0.54 456.3034058 1.69 457.5379028 0.92 458.7017212 0.08 459.4055786 0.18 460.1343384 0.43 461.3123779 0.37 466.3923950 0.18 469.4169312 0.98 470.0706787 0.07 470.8062134 0.09 472.1074219 0.09 473.2091675 2.09 474.0898438 0.10 481.1918335 0.87 482.2687378 0.63 483.2411499 0.33 483.9832764 0.35 486.3713379 1.14 492.9384155 0.34 494.2580566 0.32 495.4058228 8.94 496.0484619 1.19 499.4713135 0.72 500.2766724 0.37 501.1006470 0.27 502.2067261 0.43 503.5601807 0.29 504.3300171 0.07 506.1471558 1.85 508.3792114 0.28 510.6766968 0.81 512.3292236 95.97 513.3231201 3.24 514.0108032 0.03 514.8887329 0.87 515.8825684 0.62 517.2425537 0.66 519.8102417 0.54 520.4307861 0.34 522.6060791 0.95 524.4074097 1.21 525.1770630 0.07 526.1150513 0.57 526.9212646 0.37 528.5868530 0.19 529.2029419 0.72 529.9907837 1.53 531.4140015 1.41 533.7346191 0.47 534.9270630 1.04 536.1979370 1.04 537.0700073 1.82 537.7916260 3.35 538.4917603 1.84 539.4439087 1.11 540.9923096 0.84 542.9389648 14.89 544.2696533 1.58 545.4855347 0.33 546.2974854 0.43 550.7094116 2.08 552.0064697 92.76 553.5280762 3.55 554.5184326 1.43 557.3582764 0.18 558.0634155 0.66 558.9463501 0.63 559.5520020 0.13 560.7893677 0.41 563.6018677 0.29 565.9367065 0.23 569.4705200 0.88 570.2092285 0.83 570.8213501 0.45 571.4945679 1.50 572.3091431 0.21 573.0784912 0.63 574.0272827 0.47 574.9530029 0.24 576.0344238 0.18 576.8822632 0.48 579.3054810 3.60 580.0655518 1.53 580.6676636 1.60 582.1791382 0.14 583.2988892 0.26 601.8201904 0.33 602.4507446 0.40 605.3825073 0.28 607.3543091 0.39 608.5147705 0.07 615.5405884 0.59 617.5587769 0.08 619.6127319 0.28 621.3394165 0.04 622.7115479 0.27 623.9319458 0.55 625.5933838 1.70 626.4293213 0.15 628.7948608 0.96 631.8880005 0.10 634.5808105 0.24 635.4263306 0.07 636.1198120 0.11 637.4939575 0.33 638.4534912 0.39 640.6190796 0.32 643.5297852 0.31 644.9992676 0.22 645.7368774 0.14 646.6301270 0.20 648.3941650 0.36 649.4979248 0.80 651.4188843 0.53 652.6324463 0.11 654.4502563 1.11 660.1787109 0.34 666.4818726 100.00 667.6029663 11.79 669.1899414 0.41 670.0339966 0.62 673.9718018 1.19 675.6683960 0.40 679.3727417 0.30 681.6198730 0.38 682.8905640 0.91 685.3008423 0.22 686.0944214 0.33 687.3057861 0.57 690.4428101 0.66 691.0631104 1.32 692.8281250 2.96 694.0919800 0.30 697.4982300 1.86 698.6152344 0.43 700.5819702 0.41 702.4052124 0.35 703.0923462 0.82 704.2271729 0.13 708.4272461 0.22 709.1117554 0.81 710.3570557 2.53 711.2621460 0.68 711.8944702 0.33 712.5932007 0.76 714.5671997 0.40 716.6705933 0.43 717.5861206 0.93 720.6274414 0.16 723.1637573 0.75 724.7991333 1.57 726.3414917 4.73 727.4157104 0.22 732.5620117 0.63 734.4920044 0.49 735.8432007 0.28 737.4917603 0.41 738.9304199 0.53 739.5825806 0.31 740.3453369 0.63 741.6099243 0.32 743.3807983 0.74 744.1668091 0.91 745.0881958 0.24 746.5964355 0.73 750.7605591 1.19 759.4851685 0.21 760.4715576 1.74 761.5950317 3.01 763.4636230 2.07 764.3740845 0.16 765.4838867 0.79 766.1815796 0.31 766.9878540 1.11 773.7565308 0.11 774.6245728 0.28 777.3945923 0.14 779.4386597 0.56 781.3742065 1.14 786.4087524 0.24 788.6500244 0.19 790.2088623 1.70 791.1752930 0.77 792.7291870 0.45 797.5590210 0.31 802.5441284 0.23 804.2166748 0.29 804.9785767 0.15 806.6323853 0.07 809.3712769 0.45 810.4270630 1.30 811.0304565 8.59 811.6491089 1.72 814.8159180 0.58 818.6972046 0.10 819.9179077 0.19 823.0367432 0.48 824.9006958 0.36 827.3218384 0.14 828.5332031 0.46 829.6199951 0.40 830.4179077 0.65 831.0505981 0.36 831.7446289 0.39 836.4797363 1.09 837.4995728 0.44 838.1488647 0.57 842.4100952 0.41 846.5944824 0.45 848.9108887 0.20 859.6826782 0.18 860.5105591 0.15 861.6880493 1.32 865.6001587 0.28 866.3425293 0.20 867.2111816 0.41 873.8126831 0.50 874.7307129 0.16 876.4854126 0.07 877.5403442 0.30 887.0158081 0.11 916.7492065 0.25 917.5614624 0.20 919.4257812 0.97 926.1412964 0.49 930.2304688 0.42 931.4479370 0.14 943.0838013 0.14 944.6420898 0.44 945.7163696 0.23 950.6157227 0.30 952.4922485 0.54 953.7770996 0.23 963.6115723 0.24 969.0897827 0.59 974.2052612 1.61 974.8289185 2.14 975.7131958 1.42 976.8288574 0.78 978.6508179 0.16 980.3193359 0.19 986.8413086 0.43 989.5936890 37.34 990.6725464 4.16 994.8867798 0.12 1002.3789060 0.32 1015.7123410 0.42 1016.7402340 1.16 1022.3371580 0.34 1041.8923340 0.11 1044.5856930 0.07 1049.8543700 0.14 1053.8385010 0.31 1056.6108400 0.07 1057.8017580 0.48 1064.5756840 0.27 1065.7297360 0.30 1077.1385500 0.36 1079.6350100 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 661.705 Annotation Unknow Peak:m/z Relative Intensity 187.0725250 0.30 199.0781860 0.11 201.2360535 0.15 211.3463135 0.31 226.1497498 0.13 227.1754150 0.62 227.9727936 0.29 236.8035889 0.46 239.9808044 0.89 245.1210175 0.53 247.2215271 3.93 248.1730499 0.75 272.1303101 0.90 272.8376465 0.42 275.4571228 0.24 276.2693176 0.11 285.2851868 0.22 288.1002197 0.40 297.3588867 0.20 311.4573975 1.73 314.0661316 1.24 314.7085571 0.25 315.4691162 0.58 320.1453247 0.17 322.3892517 0.24 325.1360474 0.34 330.2521362 0.49 333.2284546 0.11 335.2937317 0.18 337.2316589 0.10 338.4004517 0.08 341.1694336 0.15 343.4580078 0.17 346.0847168 0.15 348.2449341 0.15 350.4151001 0.41 351.3461304 0.25 352.1619263 0.15 353.1931763 0.17 354.3627930 0.26 356.5117798 0.12 362.2562866 0.08 364.6298828 0.54 366.2305908 0.17 366.9874268 0.10 369.0488892 1.11 384.2078247 0.75 385.1923218 0.68 387.2573242 0.52 399.7799683 0.99 419.3649292 0.16 424.5399170 0.21 431.0003662 0.36 436.0685425 0.24 446.6288452 0.18 447.3587036 0.23 449.5009766 0.68 450.6266479 0.31 451.3040161 0.34 453.7214966 0.12 455.2059326 0.37 456.5092773 0.69 458.4410400 0.40 459.2772827 0.31 460.3587646 0.79 463.9299927 0.75 467.2969971 2.68 468.0241699 0.12 468.8818359 0.83 470.2896729 0.42 474.5687256 0.38 484.4998779 2.95 485.7402344 0.10 486.3674927 0.74 495.0245361 0.09 496.6542358 0.18 499.3580322 0.32 500.3806763 0.74 501.6177368 0.80 502.3611450 1.45 503.1625366 0.18 506.0000610 0.19 508.4457397 0.93 509.2431641 0.11 514.5159912 0.20 515.5714111 0.63 516.3656006 0.29 517.5312500 0.17 518.8434448 1.78 524.7149048 0.19 525.8041992 0.23 528.3840942 1.64 530.2275391 0.32 531.4627075 0.51 532.3113403 0.48 538.5671997 0.38 539.8325806 0.07 541.2189331 0.34 545.3636475 0.20 552.9663086 0.35 553.7044067 0.90 556.1332397 0.70 559.3859253 0.49 560.1703491 0.11 567.2084961 0.17 568.7624512 1.02 570.3301392 1.88 571.3800049 1.58 572.2470703 1.10 573.2961426 8.52 574.4282837 0.48 577.0275269 0.29 578.4339600 0.89 579.1946411 8.13 579.9053955 0.78 581.2065430 0.17 582.2640991 0.27 583.9917603 3.76 584.8906860 0.44 589.1205444 1.06 589.8189087 1.90 590.6451416 0.24 591.5321045 0.12 592.3696289 0.86 593.1669922 8.83 593.8567505 6.43 594.6431274 0.25 596.4601440 2.64 597.2487183 3.52 598.4774780 4.71 599.3264160 0.38 600.1243286 11.66 600.8986816 2.57 601.6123047 0.71 603.0933838 4.79 604.4849243 6.25 605.9210815 14.13 606.6134644 46.33 607.7133789 0.56 608.8101196 2.70 609.5674438 0.39 610.6364746 1.88 612.3247070 44.47 613.2432251 3.58 614.1254883 2.29 615.2206421 3.60 616.0681763 2.00 618.1734009 37.60 618.9801636 1.44 619.5819092 2.81 620.4285889 0.41 621.4751587 8.94 622.5155640 2.17 623.4317627 0.92 624.3250122 1.53 625.2475586 3.53 627.4794312 43.86 628.5148926 11.63 629.2214966 2.62 630.3651733 0.51 631.4428711 0.67 632.5212402 1.51 633.6867676 1.69 635.7064819 0.54 636.6014404 0.68 637.3669434 0.29 639.2177734 1.38 640.8468018 1.78 641.4755249 2.34 642.7260742 11.97 643.5548706 5.49 644.4880981 4.78 645.2283936 0.69 645.8356323 2.31 646.6334839 0.29 647.4585571 0.16 649.5144653 22.85 650.3707275 0.93 651.2482300 2.00 652.4237671 1.90 653.0468750 0.09 667.3832397 0.45 668.7780151 0.19 675.9453125 0.11 678.2386475 0.20 681.0435181 0.93 682.2732544 0.23 682.9838257 0.99 684.4271851 2.81 685.1140747 6.56 687.2971802 0.30 690.2041626 1.71 691.4016724 0.23 695.1182251 0.87 696.6414185 0.65 698.1598511 1.21 699.3274536 13.44 700.3175049 2.78 706.2312012 0.70 707.3729858 4.08 708.3300781 0.16 710.4481201 1.98 711.7509155 0.25 713.6159058 0.86 714.6875610 0.43 717.1513672 0.30 718.2399292 1.60 724.7518921 1.70 725.3786011 0.12 726.7184448 0.57 728.3562012 3.57 728.9570923 0.10 729.5669556 0.47 733.5150146 1.27 735.2637329 0.93 737.3486938 0.11 739.5526123 0.48 741.5828247 14.20 742.3020020 1.00 743.2189941 0.63 746.0906372 2.97 748.1720581 0.23 749.0796509 2.49 755.3994141 0.32 759.5587769 0.25 760.7449341 2.13 761.6013794 0.15 765.6211548 2.40 766.6110840 0.80 768.6494141 0.70 770.3416748 0.95 771.5395508 0.96 772.2398071 0.85 773.6727905 0.38 774.3953247 3.12 775.1436768 0.48 777.6281738 0.69 780.3624268 0.94 781.3692017 1.87 782.5956421 4.73 783.6010742 1.38 784.6714478 1.47 785.5238647 0.44 787.5233765 0.91 788.6414185 0.41 790.9788818 3.26 791.8186646 0.45 793.5817261 0.06 794.2380981 2.07 798.4606323 7.79 799.3579712 4.40 805.7177124 0.32 806.4103394 0.15 807.0722656 0.45 807.9739990 0.80 809.6069946 3.11 810.4655151 4.64 811.7199097 0.90 818.5451660 6.91 819.4055786 3.74 820.5476685 0.82 821.6145630 1.70 822.6388550 0.50 823.5910034 3.31 824.5441284 1.44 825.4814453 0.11 826.7168579 1.65 828.6224976 0.69 830.4489746 0.31 833.1766968 9.40 834.2214966 2.50 835.5455933 10.92 836.3233643 2.35 836.9542847 0.21 838.9102173 0.78 839.6492310 0.47 840.3048096 0.77 841.9702759 0.93 846.1026001 0.08 847.6159058 8.70 848.8596191 4.18 849.5048218 1.27 851.2506104 0.47 852.7859497 0.18 853.7863770 1.22 855.8231812 13.72 856.6430664 8.44 859.2393188 30.88 860.1921997 11.51 861.7105103 0.52 862.6032715 0.67 863.7849121 0.12 868.3290405 72.41 869.2149048 21.33 870.3047485 1.47 871.3833008 0.21 874.7358398 1.19 875.9889526 1.53 878.4540405 0.66 880.2043457 0.23 883.1668091 3.07 884.4057617 1.76 886.6021118 0.22 887.4084473 0.27 889.8872681 2.06 890.5458374 0.21 892.6959839 0.08 894.6225586 0.42 895.6408081 0.36 897.1555176 2.11 899.1858521 75.61 900.3460083 2.68 901.6332397 0.47 902.2877808 0.07 906.3895874 21.18 907.3507690 11.02 908.5187378 14.08 909.1736450 47.76 910.1821289 5.55 911.4758301 0.92 912.7004395 0.20 914.2489624 0.91 917.8367310 98.10 918.7518921 34.25 919.7780151 2.02 921.0361938 0.89 921.7606812 0.08 922.6743774 0.29 923.3054810 0.25 926.0017700 1.25 926.7446899 0.37 928.4451294 1.37 929.5127563 0.98 931.5736694 2.17 932.9208374 3.07 935.7211304 0.24 939.1937866 2.01 940.7429199 100.00 941.7055054 3.00 942.6345215 2.88 943.6320190 0.95 945.4904785 0.27 950.4495239 0.26 951.1387329 0.08 952.7178345 0.60 953.5881958 0.39 962.7297363 0.20 968.8442383 0.87 972.8825684 0.11 974.8479004 0.83 982.0522461 0.11 989.4590454 0.30 991.0305176 0.13 999.3953247 0.39 1000.4519650 0.10 1005.2820430 0.28 1011.4968870 0.51 1013.2678220 0.32 1021.3101200 0.25 1025.1391600 0.30 1032.7266850 1.34 1039.2939450 0.60 1040.7755130 1.06 1044.6428220 0.13 1051.5974120 0.98 1052.6933590 0.14 1053.3873290 0.45 1057.5819090 1.53 1058.3410640 0.22 1063.4978030 0.09 1064.2314450 0.23 1067.6960450 0.08 1081.6411130 0.43 1082.7979740 0.15 1087.9376220 0.13 1088.6550290 0.19 1090.3666990 0.10 1099.0039060 0.22 1116.7456050 0.11 1121.5819090 0.28 1130.4589840 0.17 1131.6993410 0.11 1133.6955570 0.31 1135.8159180 0.67 1137.5913090 0.20 1147.7175290 0.11 1152.7276610 0.79 1160.8769530 0.17 1162.6848140 0.76 1166.8345950 0.11 1168.1597900 0.96 1181.5659180 0.48 1183.1210940 0.08 1185.4851070 2.82 1186.6058350 0.37 1204.8843990 0.18 1227.6263430 0.49 1229.4315190 0.15 1232.9134520 0.37 1250.3615720 0.19 1265.8172610 0.59 1266.5126950 0.56 1268.7208250 0.39 1279.5789790 0.85 1284.3233640 1.15 1284.9351810 0.34 1305.8914790 0.12 1309.5083010 0.12 1334.8092040 0.22 1350.0933840 0.33 1355.8531490 0.36 1361.6698000 1.29 1362.8691410 0.23 1363.7274170 0.18 1365.7845460 0.55 1366.7634280 0.11 1367.9306640 0.87 1378.8975830 0.19 1411.0717770 0.19 1413.5802000 2.10 1414.7779540 0.38 1418.7957760 0.30 1437.9178470 0.56 1467.1452640 0.22 1476.9627690 0.48 1482.2187500 0.29 1483.8358150 0.11 1563.9464110 0.09 1597.5622560 0.19 1611.2991940 0.27 1699.0251460 0.24 1957.3775630 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 670.2744 Annotation Unknow Peak:m/z Relative Intensity 218.0770874 0.24 219.3246765 0.22 229.1347351 0.16 234.1849060 76.84 235.0173645 0.62 237.3502197 0.04 248.2064819 0.23 252.2127380 0.04 298.2567139 0.21 305.2807007 0.38 318.6135254 0.16 328.0595703 0.04 333.2949219 0.07 337.1379395 0.07 338.1734619 0.10 366.3713989 0.25 366.9960938 0.16 378.1329956 1.96 389.3179932 0.05 390.1110840 0.04 391.3579102 0.53 397.2218628 0.14 398.1735229 0.14 406.2294312 1.88 407.5765381 0.04 408.5744629 0.05 420.3135986 5.14 423.2931519 0.54 425.9202881 0.12 429.3337402 0.21 433.3630371 0.04 434.8731689 0.10 435.5840454 0.29 437.0808716 2.37 438.2710571 0.27 441.1564941 0.11 443.5332642 0.14 444.3502197 1.96 445.3822021 0.28 449.3109741 0.11 451.2395630 0.24 457.2204590 0.06 458.2084351 0.24 460.0628052 0.15 463.1170044 0.35 463.7232056 0.12 466.5599365 0.10 470.2752075 0.25 475.2782593 1.39 476.3427734 0.74 477.3848877 5.01 488.3980713 0.74 491.3873901 0.19 494.3377075 86.88 495.3792725 1.29 497.3752441 0.44 506.0378418 0.47 512.3821411 0.25 516.3421021 0.19 519.2538452 5.10 520.3353882 13.69 521.6382446 0.16 524.9566040 0.06 525.6178589 0.06 527.0420532 0.07 534.3938599 0.08 539.2778320 0.18 540.2573853 0.24 545.6522217 0.23 550.8773193 0.08 556.2020874 0.43 568.8571777 0.18 570.7977905 0.34 571.6110840 0.40 578.9722900 0.21 582.1126709 0.39 588.4790649 0.55 589.1906738 0.13 604.0327759 0.45 606.2468872 0.25 621.9987183 0.33 623.3357544 0.16 625.0048218 0.06 625.9400024 0.16 628.7250366 0.11 634.4506836 0.11 640.3279419 0.14 641.2904663 0.15 652.3486938 10.21 653.3818970 100.00 654.4685669 4.08 655.3352661 0.03 656.5874023 0.05 668.2469482 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 380.84 Annotation Unknow Peak:m/z Relative Intensity 128.9387970 7.25 161.3621521 0.16 203.2250824 0.05 212.8688049 7.28 219.0205688 0.11 261.2282410 0.09 268.3138733 0.19 296.2546082 17.56 296.8637390 100.00 312.3885803 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 470.1583 Annotation Unknow Peak:m/z Relative Intensity 144.0099487 0.28 162.0956116 1.15 163.0083771 7.73 178.9464417 5.16 201.1336975 0.03 212.1091003 0.06 221.0128937 0.01 233.1885986 1.61 238.1486816 0.49 271.8854370 0.02 275.3991394 0.02 290.1047363 0.35 291.1086426 0.02 300.0730286 0.01 308.0819702 100.00 308.6887512 0.24 340.4225464 0.28 341.0818481 3.09 359.1842957 0.03 367.4360352 0.01 394.9266663 0.34 427.0836182 0.09 438.4136047 0.02 452.3045044 0.19 461.2327271 0.29 463.9685364 0.01 464.6072693 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 151.03 Annotation Unknow Peak:m/z Relative Intensity 88.9913940 0.04 109.8392181 100.00 110.6996613 0.11 127.8628845 4.39 128.7305298 0.01 130.4202728 1.52 132.9550934 0.09 139.2735596 0.62 150.9785919 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 381.1171 Annotation Drosophylloside Peak:m/z Relative Intensity 114.9251862 0.01 116.8859863 0.37 123.0515747 0.01 126.7703247 0.11 128.8512268 0.03 131.2349396 0.03 135.0992432 0.02 137.0703125 0.01 138.9364929 0.06 144.9831696 4.05 146.9797058 0.05 149.1778870 0.01 154.9607849 0.06 157.1561279 0.04 159.2474670 0.07 161.2447205 0.06 163.1500244 0.05 168.9390869 0.01 170.2992554 0.01 172.7126465 0.08 173.3477783 0.01 175.1517639 0.03 176.9809570 100.00 178.8927002 0.03 181.0486145 0.03 183.1337280 0.02 186.0891571 0.06 186.9669189 0.07 193.0250549 0.03 194.9898529 0.14 199.0439911 0.03 201.0285950 0.79 202.3789978 0.04 203.0760040 0.10 205.1013336 0.06 207.0082245 0.01 211.1401825 0.11 212.2725677 0.01 215.4897156 0.01 216.3412170 0.06 219.2297974 0.15 225.0593872 0.01 227.0401917 0.13 229.1251221 0.10 230.8984070 0.15 233.0967102 0.05 234.9580688 0.06 236.1520386 0.02 237.2016602 0.11 239.0822144 0.02 241.2214661 0.08 243.0887451 0.04 245.0933228 0.02 248.2892151 0.12 253.7103882 0.03 256.8032532 0.05 261.0939331 0.05 262.2808228 0.01 265.1596680 0.03 267.2407837 0.12 271.4646606 0.14 272.2530518 0.17 273.1557312 0.36 275.1181030 0.03 277.3576965 0.01 279.2895508 0.03 282.2378845 0.02 283.3627930 0.03 285.1058960 0.62 290.2897644 0.06 291.1341248 0.22 295.0722656 0.02 300.5066528 0.06 301.1246338 0.01 303.0967102 7.75 307.1101074 0.02 308.3436279 0.13 313.2951050 0.03 315.4306030 0.03 317.2221985 0.01 319.3202515 0.01 321.0349731 1.34 321.6698608 0.01 323.4472656 0.07 327.2370911 0.18 335.3075562 0.08 338.8754272 0.02 342.6318970 0.03 343.3127441 0.03 345.0422363 2.11 348.8183289 0.01 350.3106384 0.03 351.4566345 0.03 352.3463440 0.02 353.4343262 0.07 355.0579529 0.02 356.1568909 0.01 362.6999817 2.47 363.3027649 1.34 364.2630310 0.07 365.3608704 0.03 366.1658630 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 661.2696 Annotation Unknow Peak:m/z Relative Intensity 185.1893463 0.03 187.0921326 0.06 189.0614929 0.11 205.1913757 2.10 225.0543671 0.08 228.8129272 0.03 233.0280914 0.33 236.0822144 0.06 247.2522278 0.10 249.0136108 0.10 250.6711578 0.05 253.1866150 0.17 254.1351624 0.12 260.3450928 0.03 275.1198120 0.12 277.4725952 0.19 284.3338928 0.31 293.0650024 1.24 298.2461853 0.21 310.8563232 0.27 312.0574951 0.14 314.4766541 0.07 319.1820984 0.04 331.0373535 0.11 334.1244507 0.12 337.3569336 0.11 341.2845459 0.15 344.5103149 0.14 345.3024292 0.07 348.9051514 0.05 357.2325439 0.40 369.3138428 0.08 371.2249146 0.04 373.2539062 0.05 393.3793335 0.14 401.1786499 0.02 401.9736938 0.06 411.1636353 0.30 415.3479614 0.07 417.3218994 0.13 426.9128418 0.25 432.5239868 0.03 434.1390991 0.05 435.4611206 0.09 439.6672363 0.03 450.5574951 0.04 453.1519165 0.09 457.1556396 0.05 461.5576172 0.05 462.4046631 0.03 468.3159180 0.30 470.2543945 0.04 476.6938477 0.04 479.4114380 0.05 481.1832886 0.16 491.3864746 0.20 495.5598755 0.07 497.4396362 0.05 498.1889038 0.43 499.3259277 7.56 501.6310425 0.10 517.2832642 100.00 518.2223511 0.05 519.5451660 0.09 529.1909180 0.06 532.5786743 0.15 540.2927856 0.05 541.2822876 0.22 545.3541260 0.24 546.5355835 0.04 547.6284180 0.03 559.2212524 12.93 570.0892944 0.04 571.1249390 0.34 575.5037231 0.07 578.4069214 0.08 579.5993652 0.07 583.3525391 0.12 587.3112793 0.17 596.8958130 0.07 599.1210938 0.59 600.8979492 0.19 607.1575317 0.16 611.5176392 0.11 615.2464600 0.22 616.7796021 0.93 617.4630737 0.71 619.7084351 0.05 624.2197876 0.21 625.2249146 0.33 626.3557129 0.05 627.4650269 0.22 629.3991089 0.22 630.6757812 0.10 631.3421631 0.15 638.4203491 0.37 642.3937988 1.42 643.1935425 0.49 651.4148560 0.73 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 397.2214 Annotation Sinuolatin A Peak:m/z Relative Intensity 131.0341339 0.08 133.0344543 0.57 136.9360657 0.33 146.1939240 0.15 147.1651459 0.09 150.2458496 0.39 151.2826080 1.33 156.7724152 0.24 159.2943115 0.30 160.9324951 1.81 163.1179504 0.29 165.1676941 0.38 169.3735199 0.07 171.2104797 0.23 177.2152405 0.10 184.9651489 0.10 187.1640472 0.09 196.9808502 0.08 199.2291718 0.88 204.9979248 0.40 217.1567078 3.93 219.2244110 0.58 235.1785889 100.00 239.2649536 0.20 259.0582275 0.16 265.3474121 0.09 268.3313293 0.17 277.3492432 0.18 283.4084167 0.56 298.4185181 0.07 299.1466064 0.15 300.2801819 0.27 301.5184937 0.12 305.2023315 0.10 306.8420715 0.06 307.8963318 0.24 310.0741272 0.05 322.2333069 0.20 328.9209595 0.50 330.1318970 0.47 333.0025940 0.07 335.6051331 0.23 338.3661499 0.20 350.0542297 0.11 356.3644409 0.31 361.3052063 0.06 362.2777405 0.24 364.2776794 0.11 366.2996521 0.05 367.3542175 0.11 369.3216858 0.09 373.3649292 0.29 378.1143799 0.29 379.2704468 1.83 396.6511536 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 697.4219 Annotation Unknow Peak:m/z Relative Intensity 195.0748444 0.20 197.0635681 2.47 203.1131439 0.60 206.0656433 0.52 209.1048737 0.40 211.3808441 0.99 212.1541901 0.72 213.5243073 0.18 214.2432098 1.31 219.8173828 0.26 223.1484375 2.66 224.2023468 0.16 226.1548615 0.96 228.0779877 3.06 228.7654572 0.20 229.3662567 0.13 233.2842712 0.15 235.2047729 0.38 237.3576355 0.12 239.1380005 1.26 240.3506470 0.08 247.1372375 0.06 248.1794586 0.19 249.4439850 0.09 250.3079834 0.15 251.1190948 0.38 255.2207489 0.04 265.2253113 0.44 266.3082581 0.13 267.2137756 0.22 268.1708374 1.56 268.8862000 0.15 270.8391724 0.36 277.3634033 0.72 278.1292419 0.77 282.1003113 0.42 284.1129761 2.11 285.1769409 2.27 286.4029846 0.06 287.1965332 0.45 288.0263977 0.33 289.5057983 0.13 293.6199341 1.49 294.2882385 1.70 296.2747803 0.09 296.9221191 0.23 299.0850220 1.39 300.1773987 40.77 300.9986572 0.29 304.0469971 0.48 308.0369263 0.35 309.4465942 0.31 311.1307983 7.79 324.2028198 0.15 326.2374878 0.11 327.2153320 1.51 328.1879883 0.14 329.1043091 0.12 330.2350464 0.09 336.7319946 0.54 340.0474243 0.38 353.2695923 2.75 356.5272827 0.26 360.1769409 0.53 364.2409668 0.07 365.2243652 0.73 367.2043457 1.18 370.1925049 2.78 372.1460571 0.10 372.9566040 0.06 374.2728882 0.59 377.3148193 0.10 380.2290649 1.61 381.3893433 2.14 382.3489380 1.11 383.4786987 0.05 384.2649536 0.18 389.2684937 0.12 390.3341064 0.23 396.2840576 2.45 398.1296387 34.08 398.8262329 0.50 399.5010986 0.89 407.2041626 0.88 410.0413208 1.05 410.7378540 0.08 411.4437866 0.46 414.1966553 16.66 414.9352417 0.13 424.2359009 6.82 426.2118530 0.21 427.3219604 0.08 429.2677002 0.15 431.4128418 0.10 435.0639038 0.60 443.3168335 0.59 444.1751099 0.17 445.4626465 0.22 449.0714722 1.14 450.1190186 1.66 452.4119263 1.86 453.9983521 0.27 454.6638184 0.13 457.2611084 0.34 462.8386841 0.88 464.5205078 0.40 467.3076172 0.57 468.2657471 0.30 469.5078125 0.43 470.8469238 0.56 471.5686035 0.34 473.3305664 0.07 475.5777588 0.35 478.2657471 24.55 479.0210571 0.13 479.8761597 1.08 480.6623535 4.33 481.4262695 5.50 485.8536987 0.80 487.1560059 1.24 488.3831177 0.30 489.4473267 0.28 490.4262695 0.57 491.0621948 0.38 492.4066772 0.71 493.1361694 0.13 495.2348633 13.86 496.3678589 0.42 500.9348145 0.27 506.2752075 0.70 507.2253418 0.70 508.2307739 1.25 510.0498657 0.62 512.3806763 0.27 515.0752563 0.16 516.3193970 0.10 519.4925537 0.09 521.2425537 0.65 525.1223755 0.37 527.2429810 12.55 530.9026489 0.19 535.1052856 0.41 536.8584595 0.19 549.3453979 12.92 551.5601807 0.17 552.5291748 1.92 553.8573608 0.20 559.6458130 0.53 560.7353516 0.08 561.4439087 0.26 563.2139893 0.96 564.2855835 0.11 565.0121460 0.20 566.4076538 8.83 567.5061646 0.10 568.4246216 0.72 570.0236816 0.66 571.0892944 0.42 571.8641357 0.25 573.2311401 0.25 577.3255005 100.00 577.9280396 0.57 579.4862671 0.86 580.2483521 0.14 581.3698730 0.60 582.4639893 0.32 584.8025513 1.21 587.3311157 0.25 588.8635254 0.60 589.6924438 0.48 590.3850098 0.54 594.2935791 76.27 594.9658813 0.97 595.7992554 0.19 597.0067139 2.48 597.8986816 1.23 598.5524902 0.68 600.5312500 1.28 602.8273315 1.03 605.7619629 0.22 607.1831665 0.20 608.2629395 0.50 609.1953125 3.28 610.8590088 0.93 612.3016968 0.28 614.4011230 0.92 615.1800537 0.35 616.7151489 0.71 617.6834106 0.39 618.5738525 0.07 620.1163330 0.67 621.7533569 0.57 622.4790039 0.10 624.2188110 0.31 626.2556152 0.17 629.1486816 1.67 630.1780396 1.81 631.2577515 0.77 632.1301270 0.12 634.0620117 0.55 635.3820190 0.38 636.2873535 0.40 637.6998901 0.45 639.3023071 0.18 640.4010620 0.08 641.3226929 0.71 641.9310913 0.58 642.6734619 0.58 643.8541870 1.53 646.5039062 0.07 647.8117065 1.68 648.4650879 9.61 650.4064331 0.26 651.5782471 0.46 653.1174316 0.96 654.0662231 0.23 656.2264404 0.47 656.8312378 1.12 658.4177856 0.79 659.2758789 0.81 660.0147095 1.29 661.7304077 0.85 662.5717163 0.62 663.4039307 1.30 665.5036011 7.64 666.4492798 0.25 668.3767700 3.37 670.5740967 0.36 671.5515747 2.08 672.4048462 1.24 673.1770630 0.54 674.6795044 0.52 675.9026489 0.12 678.5989990 3.19 679.4428101 4.44 680.4319458 7.34 681.9519043 0.58 684.5783081 0.63 685.6270142 0.34 687.6259155 4.05 688.5329590 1.16 698.5145264 0.11 700.4793091 0.16 702.0753784 0.29 709.9082642 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 227.98 Annotation Unknow Peak:m/z Relative Intensity 71.8395462 0.15 83.9829712 0.13 87.9831314 0.12 91.7969971 0.08 94.0106659 0.21 94.8804474 0.24 98.9276886 0.11 107.1436005 0.34 109.0186005 0.31 110.0222778 0.17 110.9438629 0.31 111.9512329 0.22 115.9729919 0.29 121.7613831 0.82 126.1558990 0.16 126.8775024 0.09 129.0081482 0.58 129.9464264 0.09 134.8446503 0.11 136.1212769 0.61 137.8860016 1.48 138.7677155 0.28 140.0765381 0.05 141.1163177 0.36 142.3312225 0.58 143.0532227 0.10 144.0984802 0.15 146.1085358 0.15 147.9309235 0.32 149.9516296 0.29 151.1283417 0.41 152.0870667 0.19 153.0467682 0.13 155.9902191 0.55 158.3017273 0.09 160.0484467 0.07 161.9843750 0.15 163.0931549 0.24 164.1175995 0.61 165.2798920 0.22 166.1548309 0.63 166.9876709 0.15 168.0455170 1.52 169.0849609 0.30 172.0223694 0.43 172.8280029 0.16 176.9973145 0.17 177.9515686 0.08 179.0043335 0.37 180.0285187 0.68 181.3009186 1.14 182.0483093 2.78 182.8832092 0.13 184.2164764 0.33 184.9050446 0.30 186.8548737 100.00 188.9497986 0.42 189.8425140 0.23 191.8622742 2.08 192.4821930 0.26 195.9680328 0.44 197.0828552 0.44 198.1167755 0.34 199.0794067 0.87 200.0592346 2.63 200.8964386 0.13 204.6816406 0.56 205.2914276 0.59 207.1296692 0.10 209.2373657 2.39 210.0227203 8.01 211.0234222 0.88 212.1451111 0.12 218.7198792 1.92 219.6234589 0.83 221.2670898 0.22 227.1082916 0.22 227.9813843 0.21 237.1062775 0.71 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 351.0565 Annotation 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate Peak:m/z Relative Intensity 101.0034790 0.04 111.1791763 0.26 113.0303574 0.03 114.8288116 2.19 126.8563995 0.10 127.9240799 0.07 128.9041748 0.06 130.9479828 0.06 174.9465485 100.00 270.8900757 0.15 288.1948242 0.07 291.0035706 0.23 304.5391235 0.08 305.2053528 0.66 316.0804138 0.02 322.9401855 0.02 333.1340942 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 865.5038 Annotation Unknow Peak:m/z Relative Intensity 275.2745361 0.11 309.2170105 0.18 310.3598633 0.12 312.2982483 0.07 326.2135620 0.13 330.2774048 1.61 342.0896301 0.08 365.4543457 0.12 377.1289978 0.08 390.0036011 0.13 402.2502441 0.28 405.4378662 0.99 408.0625000 0.16 409.5814209 0.26 427.3848267 4.05 455.1508789 0.37 462.4932251 0.57 485.0379028 0.16 490.8847656 0.08 498.5164185 0.11 506.5260620 0.33 508.4993896 0.25 513.2147217 0.48 521.4624634 0.13 524.3261719 100.00 524.9314575 0.65 527.2805786 0.12 536.2349243 0.08 545.1548462 0.14 551.3168335 0.07 554.9526367 0.28 558.1101685 0.56 578.5869751 0.18 595.3992310 0.49 598.4697266 0.20 612.2477417 0.48 615.3674316 0.53 633.3986206 0.31 637.4669800 1.71 647.2416382 0.07 652.3670044 0.24 657.1124878 0.08 657.7255249 0.73 673.2733765 0.11 675.8385010 0.27 697.0258179 0.12 698.5704956 0.13 700.8285522 0.79 704.2036133 0.90 705.2225342 0.08 714.1439209 0.20 718.5144043 0.42 719.3841553 0.18 720.2689819 0.11 721.1892090 0.75 728.6360474 0.43 734.3405151 0.24 737.7681274 0.29 738.5167847 0.09 746.5051880 6.28 748.4184570 0.17 750.7644653 0.22 762.0784302 0.38 764.6201172 1.27 771.0628052 0.50 776.5436401 0.14 778.0811768 0.35 783.7169189 0.15 786.8429565 0.79 788.8541870 0.09 796.7494507 1.66 802.6586304 0.36 804.1054077 0.92 805.5742798 0.31 808.0782471 0.29 812.4832153 0.57 814.9899292 0.22 817.4379272 0.29 818.5590210 0.32 820.5739136 0.10 825.2527466 0.62 826.8984985 0.93 829.5490112 6.30 835.3266602 0.53 841.1028442 0.10 841.7621460 0.14 845.5086670 0.09 846.8795166 1.13 847.5723877 3.77 849.5968018 0.21 854.5372925 0.17 855.8683472 0.07 865.4852905 0.15 871.8229370 0.77 879.7469482 0.72 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 280.263 Annotation Linoleamide Peak:m/z Relative Intensity 79.0524750 0.06 80.9690781 0.72 83.0007782 0.57 83.8911667 0.05 85.0172577 0.16 85.9436951 0.11 87.9651718 0.03 90.9395752 0.04 93.0125580 0.34 94.9414291 1.59 96.9857407 0.77 98.0427093 0.04 99.0266647 0.04 100.0092010 0.64 105.0116577 0.11 106.9788513 0.61 109.0744781 1.37 110.9295273 0.91 112.0019379 0.09 112.8907318 0.23 113.9733734 1.73 118.0963669 0.07 118.9957809 0.22 120.9969788 1.79 123.0307083 1.21 125.0121384 1.02 126.1830750 0.29 126.9766998 0.40 128.0951233 2.87 129.3216248 0.03 133.0946350 1.44 134.9927063 2.33 135.6031189 0.09 137.0819550 2.17 139.1155396 0.83 140.2776489 0.15 141.1260071 0.20 142.1597595 2.59 147.0099487 1.41 149.1126404 4.58 151.0635071 2.45 152.4514160 0.28 153.0935059 1.45 154.0902863 0.74 156.0109863 3.95 161.0445862 1.70 163.0376434 2.50 165.0881348 3.76 167.0569458 0.65 168.0444794 1.29 170.0908813 4.53 173.1376953 0.10 175.1277618 1.55 177.0655670 0.26 179.1578369 3.06 181.2389832 1.13 182.1997375 1.42 184.1734314 4.64 187.2974854 0.03 189.1728516 1.88 191.2095032 0.30 193.2512512 0.47 194.1177673 0.04 194.9189453 0.07 196.1869812 1.82 198.2247009 2.33 203.1719666 1.80 203.9281311 0.06 205.2947998 0.45 207.2377930 0.59 208.2144165 0.05 209.2747498 0.08 210.1928406 2.11 212.3260803 0.41 217.2758484 0.54 219.3035583 0.43 221.3378906 1.74 224.2032776 2.17 231.1174011 0.06 235.2060242 0.15 238.1683350 0.29 243.1447449 0.05 245.2022095 52.58 249.0668640 2.60 252.1558533 0.08 261.5189819 0.15 263.2423706 100.00 265.1231689 0.28 277.2031250 0.10 279.3629761 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 516.8972 Annotation Unknow Peak:m/z Relative Intensity 158.9082184 0.36 174.9373779 0.64 228.8838959 0.08 244.7720337 0.17 273.0426025 5.67 289.0421143 10.81 352.7716675 0.06 387.0356445 0.76 401.0712280 0.05 402.9780273 100.00 443.0611572 0.09 471.9547119 0.05 485.8018188 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 539.1377 Annotation Unknow Peak:m/z Relative Intensity 160.7427063 0.03 162.0692749 0.03 179.0097656 1.68 180.0238800 0.16 191.2427826 0.01 196.5439148 0.03 221.1380310 0.37 222.0344238 0.07 233.1390381 0.05 234.0180664 0.05 249.1282349 0.01 250.2172394 0.11 251.2167053 0.07 251.9090271 0.02 262.9617920 0.01 264.0231323 0.03 279.5189209 0.04 280.9540710 0.30 282.1979980 0.20 306.3117065 0.02 322.6798096 0.07 323.3106079 0.43 324.1109009 0.05 341.0028076 1.63 342.0989380 0.57 355.2266846 0.05 359.2102051 0.46 360.3932495 0.06 377.1949463 11.65 378.2230835 3.31 383.0964355 0.11 441.8386230 0.04 443.0430908 0.04 443.8867188 0.07 501.2151489 0.01 503.3082275 100.00 504.2649536 35.50 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1395.6394 Annotation Unknow Peak:m/z Relative Intensity 407.1175537 0.02 467.2080383 1.04 471.3562012 0.04 485.4134216 0.03 499.3605652 0.05 603.7548218 0.19 604.4034424 0.03 629.1544189 0.03 747.6567993 0.62 748.8792114 0.32 765.4624023 5.15 766.3822021 0.39 767.0481567 0.05 807.7589111 0.03 907.9339600 0.12 909.6230469 1.10 910.3560791 0.10 927.5104980 100.00 928.5078125 13.38 929.2624512 0.02 969.5202637 1.14 970.5299072 0.33 981.6120605 0.03 998.5462646 0.06 1009.5871580 0.40 1010.4670410 0.01 1035.7363280 0.08 1071.7796630 0.11 1072.4006350 0.02 1163.6687010 0.05 1230.7076420 0.05 1233.5981450 0.05 1251.4265140 1.29 1252.3988040 0.29 1293.5732420 0.16 1333.7557370 0.15 1334.6140140 0.02 1373.7097170 0.08 1377.4655760 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 577.3488 Annotation Unknow Peak:m/z Relative Intensity 165.1492767 0.11 167.8437805 0.21 170.0231476 0.60 171.0811157 0.07 172.0705872 0.10 179.0731964 0.26 185.0452118 0.21 187.1059723 0.62 193.0494995 0.15 196.9183960 0.23 198.1712341 0.24 199.1454773 0.56 199.9977570 0.04 204.8492584 0.17 207.1693420 0.35 210.8396606 0.08 213.0279541 1.32 214.2351990 0.07 215.1959839 0.52 216.1099854 0.11 218.0400085 0.18 219.1432800 0.13 224.1269531 0.42 225.2040710 0.10 226.2202148 2.36 227.0730591 0.39 233.2340698 2.49 234.3135223 0.15 241.2459106 0.06 242.0076294 1.60 243.0185547 0.44 244.2995911 1.27 245.3040771 0.28 246.7805176 0.10 248.0944061 0.18 252.1051636 0.08 260.1712646 0.15 267.1550903 0.30 269.3010864 0.29 270.3140259 0.13 270.9683228 0.10 272.2574463 0.08 273.3783569 0.35 274.5079346 0.07 276.1247864 0.33 280.3211975 0.17 282.0846558 0.19 284.1711426 0.05 285.3111572 0.36 288.4814453 0.03 291.2661743 0.39 293.9911499 0.80 295.2080688 0.19 297.4730225 0.09 310.1793823 0.19 311.4387207 0.15 312.1658325 0.06 315.3988647 0.21 319.8041992 0.36 321.3464355 0.24 323.2794189 0.29 326.2441406 0.10 327.0805054 0.40 328.2906494 0.24 339.2140503 6.11 340.2888794 1.54 341.2847290 0.19 342.4301758 0.41 343.3427124 0.59 344.4921265 0.11 346.1848145 0.19 348.2926636 0.05 350.1710205 0.31 353.1744385 0.57 354.2594604 0.04 355.6044312 1.20 357.2388306 27.04 358.3075562 5.52 359.0136108 0.08 360.6113892 0.31 361.2935181 0.12 362.3272095 0.15 364.7647095 0.58 366.2707520 0.11 367.0714722 0.19 368.3418579 2.52 369.4074097 0.16 371.0063477 1.79 372.0266724 0.14 373.0866699 0.36 375.8561401 0.03 379.1154785 0.07 380.2781982 0.42 385.4092407 2.43 386.1831055 0.43 388.7998657 0.57 389.4604492 0.32 390.9201660 1.77 395.2876587 0.08 396.5151978 0.32 397.1549683 0.17 398.3687134 0.24 401.2632446 0.08 403.8507690 0.23 404.8883057 10.10 405.7877808 1.34 408.4749146 0.23 411.6848755 0.80 412.7200928 0.26 414.1369019 0.04 415.3426514 0.26 417.0994263 0.13 425.5314941 0.10 426.3073120 0.28 427.0167236 0.13 428.2797241 0.10 430.1713257 0.28 431.2796631 0.38 436.6003418 0.24 438.3096313 0.13 440.2035522 2.11 441.3059082 1.30 444.8820190 0.19 446.5383911 0.38 447.7086792 3.10 448.4620361 0.04 449.4537354 0.19 450.1672974 0.24 451.0581665 0.24 452.3698120 0.50 453.0049438 0.47 454.5231934 37.80 455.4606323 0.94 456.4029541 2.79 457.3541870 1.15 458.1248779 0.68 459.2188721 0.07 460.1975098 0.12 461.5316772 20.20 462.5211182 1.27 465.3302612 0.16 466.6663818 0.17 467.2975464 0.05 468.3083496 0.54 469.7012939 0.56 470.5377197 0.19 472.9026489 0.73 473.9368286 0.10 474.5427246 0.71 476.2097778 0.59 477.1168823 0.27 479.9754028 0.30 484.4373169 0.28 485.5459595 4.62 486.4097290 0.40 487.7031860 0.43 488.5022583 1.67 489.3717651 0.11 490.1235962 0.80 491.2189331 0.25 491.9218750 0.72 493.3662109 0.86 497.0026245 31.97 497.9800415 3.61 498.6419067 0.40 499.4116211 0.19 501.4993286 0.56 502.1782227 2.34 503.1030884 1.24 504.8984985 2.02 505.7151489 0.58 506.8563843 0.43 509.6699829 0.34 511.0256348 100.00 512.0617065 6.27 513.0348511 0.37 514.0563354 0.87 515.0739136 0.65 517.1384888 0.11 519.5153809 1.07 520.8015747 7.03 521.6519165 2.68 522.4724731 0.42 523.6473389 0.57 524.8539429 0.49 525.8317871 0.43 526.9472046 0.42 528.2944946 0.55 531.5536499 0.83 532.2490845 0.10 533.3885498 0.90 534.1836548 1.38 535.0187378 0.11 535.7744141 0.24 536.4989624 0.18 537.4568481 0.45 538.7970581 0.50 539.5497437 0.67 540.3204956 0.43 540.9816284 0.53 541.9165649 0.26 543.3975220 0.63 544.8811035 0.15 545.7324829 0.73 547.3639526 0.25 548.9701538 1.19 549.7214966 1.60 550.6135864 0.29 551.5848999 0.55 552.7673950 1.96 553.5079956 1.26 554.3596802 0.53 555.3919678 3.12 556.3533936 0.63 557.4835205 0.29 559.2948608 5.79 560.1978760 2.58 561.3394775 3.52 562.2281494 0.17 563.7247925 0.29 564.5947876 0.92 565.4974976 2.05 567.0064697 1.08 568.4254150 22.10 569.1129761 18.07 569.9704590 0.88 571.1330566 0.58 571.7638550 0.12 581.6026001 1.53 582.5759277 0.39 595.7235718 0.22 596.3317261 0.31 601.6058960 2.81 602.3901978 0.69 603.2010498 0.42 604.9814453 0.13 606.9373779 0.19 608.2490234 0.09 611.1315918 0.24 614.2741089 0.47 616.1650391 0.15 624.1965332 0.15 626.0377808 0.08 633.1284180 0.28 635.3316040 0.29 636.5691528 0.84 639.2858276 0.38 642.3244019 0.53 643.0381470 0.08 644.5182495 0.39 651.8151245 0.39 656.2893677 1.16 657.6616821 1.46 658.5394287 0.33 659.3704834 0.29 660.0635986 0.53 662.2048950 0.08 664.5341187 2.93 665.6430054 2.05 666.8895874 0.39 668.4884033 0.58 669.3992920 0.14 670.2038574 0.52 671.5929565 0.53 672.4780273 0.23 673.7974854 0.39 677.0723267 0.52 680.4406738 1.32 681.5642090 0.97 682.4390869 0.34 688.1387939 0.41 689.2161865 0.21 692.3801880 0.14 697.9839478 1.00 698.7214966 0.34 699.8464355 0.45 700.6941528 0.58 702.2985229 0.30 703.6779175 0.29 704.4185181 0.37 706.6624146 0.67 707.9057007 1.02 708.8208618 0.66 709.5853882 2.35 710.4541626 1.98 711.2142944 0.94 711.9334717 0.10 712.9333496 0.84 716.9092407 0.79 721.1675415 0.63 721.9323120 0.83 723.1521606 0.12 724.3772583 0.15 725.7445068 0.50 726.8012085 0.13 727.6228027 0.27 728.6447144 1.60 729.8112183 0.54 730.7438354 0.05 733.4924316 0.06 736.2241821 0.24 737.1712036 0.10 738.6035156 0.19 739.6143188 0.38 741.1165771 0.41 742.6799927 0.48 745.6174927 0.19 747.7910767 0.07 751.9542236 0.95 753.0730591 0.10 757.7429810 0.88 762.3367920 0.15 763.3089600 0.41 764.1810913 0.08 769.5270996 0.44 770.6417847 0.24 771.3701782 0.07 775.2472534 0.10 776.4744263 0.19 779.4966431 5.50 780.6010132 4.37 781.6838989 0.23 785.5792847 0.56 787.6333618 0.12 790.1999512 0.53 791.7962646 2.49 792.9777222 1.01 797.5838013 41.33 798.5888062 17.45 799.6090088 1.93 805.7261963 0.33 806.5469360 0.42 807.4147949 0.11 808.6652222 7.25 809.7741089 1.75 810.6280518 1.17 811.9115601 0.09 814.0441284 0.20 815.2722778 0.86 816.0200806 0.05 816.6437378 0.50 817.8077393 0.17 822.7169800 0.04 824.7484741 2.67 825.5735474 0.11 826.5734253 0.73 828.6985474 0.11 835.5120239 0.05 837.5219727 0.14 840.6447144 0.55 855.6848145 0.04 859.6212769 0.18 860.5623169 0.13 862.5466919 0.10 866.2761841 0.15 877.4760742 0.17 878.5130005 0.46 881.6330566 0.39 889.1063843 0.05 889.9432983 0.16 893.6271362 0.32 894.7794800 0.56 895.7492676 0.62 904.0971069 0.27 904.9199829 0.09 907.5324707 4.41 908.6342163 2.48 909.8120117 0.32 910.9074097 0.20 911.9895020 0.14 912.6703491 22.48 913.6369629 6.84 914.7496948 1.05 921.6348267 19.86 922.6201782 9.19 923.6151733 2.17 925.6463013 0.07 929.0339355 0.27 936.1350708 0.09 937.4757690 0.08 939.7707520 0.24 952.7164917 0.07 965.7944336 0.42 967.4525757 0.05 969.7251587 1.81 970.6638184 0.56 971.7263184 0.35 975.3913574 0.18 977.0794067 0.19 989.4708862 0.05 991.8059082 0.16 993.5068359 0.56 1003.1162720 0.27 1007.5505980 0.14 1009.4970090 0.30 1020.6928100 22.08 1021.6961060 9.96 1022.6431270 1.95 1023.2676390 0.12 1034.7011720 0.03 1037.2578120 0.20 1053.3238530 0.16 1062.2623290 0.12 1066.7774660 0.32 1068.5488280 0.07 1109.4586180 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 557.1641 Annotation 4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin Peak:m/z Relative Intensity 167.1078644 0.06 168.9605865 5.12 169.7829437 0.52 171.1173859 0.13 175.0391693 0.55 176.9957886 100.00 178.0090332 10.76 178.8458557 1.04 179.9389648 0.14 183.1879272 0.08 184.8500366 0.30 186.3395691 0.03 194.0247192 0.06 195.1714935 0.07 197.0659180 0.07 198.2662201 0.05 199.0357666 0.64 200.0423279 0.36 200.9618683 0.17 203.1486816 0.07 211.8009644 0.05 213.3391418 0.10 214.1804962 0.11 215.0784912 0.45 216.0458832 0.37 217.1461182 0.23 218.7766571 0.07 220.9935303 1.27 221.8184357 0.09 225.1307678 0.33 229.1396027 0.08 233.1417236 0.27 234.9207153 0.08 241.1582947 0.18 243.0026093 1.74 243.7551422 0.07 245.1332245 0.45 247.0804596 1.34 253.1082458 0.05 254.1079865 0.10 257.0701294 1.10 259.0016174 2.96 260.1813354 0.55 261.1357422 0.95 267.1779175 0.48 269.1957397 0.09 275.1672363 0.21 276.1980591 0.03 278.0394897 0.03 285.0838013 12.20 286.1113281 2.97 295.9667969 0.05 299.3085938 0.16 303.0139771 33.94 304.0929565 4.43 307.8640137 0.18 311.0421143 0.13 316.9043579 0.14 320.5482788 0.11 321.2194824 0.27 327.2667236 0.06 344.9418945 65.12 345.9686279 12.92 346.5891113 0.06 363.0509033 0.34 364.0438843 0.08 381.1661377 0.13 390.7406006 0.10 393.2546387 0.12 394.2562256 0.17 395.1426392 0.10 413.3311768 0.10 420.3004150 0.21 429.2107544 0.08 431.3791504 0.42 432.1954346 0.18 433.1783447 1.13 434.0112305 0.33 438.5926514 0.06 439.4082031 0.16 446.7264404 0.12 457.7792358 0.27 462.2396851 0.10 468.4981079 0.08 471.2774658 0.07 478.2316895 0.05 479.7450562 0.21 497.1340942 0.50 513.5480347 0.09 515.0646362 0.18 517.3001099 0.11 539.6448975 0.29 540.2814331 0.33 541.1619263 0.09 548.6979370 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 108.8504028 0.38 135.0486755 0.26 143.0260925 0.49 157.0465851 0.60 169.2264709 0.15 170.4866943 0.53 171.1158752 0.12 173.0207062 1.14 177.0866699 0.71 179.137207 0.99 183.2470703 0.32 185.2009583 2.77 187.224823 1.32 199.1971893 1.08 201.1544037 2.25 213.1714478 0.60 214.6641235 0.28 215.3075256 3.17 217.2511597 1.52 221.2012939 0.88 223.1560669 0.80 227.2206421 0.97 229.284729 2.66 231.1890869 0.28 241.2111511 1.02 243.1327209 2.69 245.271698 0.41 251.1946411 0.12 255.0632935 0.96 257.3359375 5.32 259.2058716 0.82 261.2562866 1.15 263.2989502 1.54 271.3539124 2.29 273.1038208 1.66 277.1773071 0.24 283.2313232 4.00 285.3185425 5.36 287.2227783 0.72 289.3961182 0.44 294.7728882 1.07 295.4049988 1.01 297.5163574 3.95 299.3776855 3.95 301.37323 2.17 311.1335449 6.00 311.7479248 1.39 313.3082275 2.19 315.2447205 5.83 318.7706299 0.17 321.3405151 3.20 323.2770386 5.39 329.2874756 0.67 337.3203125 0.34 339.2441406 100.00 340.0393982 2.21 341.2569885 20.30 342.7923279 0.70 358.030304 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 682.8406 Annotation Unknow Peak:m/z Relative Intensity 203.0637207 0.49 227.2633362 0.03 236.3625793 0.17 241.3765106 0.16 242.1356354 0.05 254.0366516 0.52 255.1594696 0.15 272.1210022 0.83 273.3113098 0.18 281.9558411 0.25 284.0321960 0.07 290.1217957 0.54 300.3371582 0.17 312.3575439 0.08 313.0731201 0.14 325.2494202 0.43 339.5939941 0.32 341.0800781 0.11 343.2304077 0.11 351.1962280 0.59 352.3793335 0.24 361.0529175 0.11 367.1227417 0.04 369.0914917 1.46 370.2874756 0.45 371.4760132 0.09 383.3303833 0.59 384.2763672 0.27 387.2986450 8.40 388.4149780 1.46 392.6799927 0.21 395.2428589 0.21 396.1389160 0.08 399.3479614 0.20 403.1802368 0.25 410.3492432 0.10 411.3735352 0.06 412.4489746 0.17 419.3933105 0.08 420.4832764 0.10 423.2695923 0.11 431.6414795 0.34 437.5670776 0.17 440.5031128 0.21 445.0615845 0.25 446.9712524 0.10 448.8565674 0.10 458.2500610 3.77 459.3444214 0.63 462.1059570 0.14 464.3236694 0.04 466.4862061 0.07 467.0912476 0.06 475.9610596 0.25 478.1635742 0.10 483.3115234 0.08 489.8452759 0.33 491.2021484 0.10 494.1191406 0.11 495.3786011 0.11 496.4874268 0.09 503.1857300 0.29 505.6315308 0.16 508.6904907 0.37 511.3721924 0.05 512.4854736 0.74 515.4338379 0.69 518.9884644 0.36 519.9862671 0.12 521.3956299 0.32 524.3422852 2.39 525.0286255 0.75 527.3555908 0.24 529.4011841 0.07 533.4181519 3.38 534.2525024 0.65 537.0675659 0.06 538.2686157 0.46 540.5645142 0.18 543.3680420 0.40 545.1277466 0.36 555.3489990 0.69 556.2351685 0.19 562.4662476 0.09 563.7842407 0.06 567.2675781 2.66 568.3525391 0.98 569.1470947 0.62 570.2048950 0.58 571.1951904 0.13 573.1409302 3.90 574.1632690 0.18 574.9276733 0.11 577.2888184 0.71 579.2588501 0.10 580.8192749 0.40 581.7756958 5.16 582.4287720 2.96 583.3770752 0.07 584.7849731 0.41 585.6286621 0.06 588.7671509 0.25 589.8358765 0.21 591.0246582 100.00 591.9653931 6.44 592.7958374 0.44 593.7216187 0.37 594.6329956 0.66 596.0360718 0.23 597.9821167 0.40 601.8654175 0.41 602.8984375 0.73 603.8202515 0.61 607.5411377 3.04 608.2969360 0.13 609.0485840 0.34 611.4317017 0.32 616.6224976 19.64 617.4970093 1.88 621.2924805 0.22 622.5845337 0.20 625.5717163 41.10 626.3999634 2.67 627.3539429 0.80 628.1165161 0.40 628.9131470 0.24 632.0186157 0.35 634.6565552 0.06 636.5341187 0.10 648.7992554 0.29 649.4794312 0.27 650.5930786 0.15 652.8535156 0.36 653.4680176 0.14 655.6326294 0.19 656.5126343 0.28 659.8570557 0.42 661.7887573 0.08 662.6317139 0.13 665.1361084 8.52 665.9011841 0.62 667.0438232 0.21 667.6925049 0.43 670.3532715 7.43 671.4935913 2.14 672.3903198 0.63 674.0418701 4.54 674.8463745 0.18 676.5911865 0.50 695.3789673 4.81 696.4249878 1.96 697.4232788 0.06 700.1437988 0.26 704.1239624 0.39 707.6254272 0.03 720.4921875 0.22 723.4996948 1.56 724.4317017 0.55 725.4888306 0.10 728.7293091 0.30 737.6701050 0.28 743.0375366 0.15 748.7582397 0.09 777.5229492 0.19 782.4804077 0.09 787.9036865 0.69 794.3292236 0.72 795.5588379 0.75 798.3276978 2.71 798.9916382 0.06 799.7322388 0.55 800.7133179 0.28 804.7451782 0.15 810.2794800 0.20 812.6995239 0.61 817.7263794 0.05 819.9719849 0.06 834.6087036 0.07 838.6170654 0.14 839.3251343 0.11 842.2900391 0.48 847.2938843 0.23 848.7514038 0.05 850.2868042 0.12 851.5300903 0.52 860.6030273 0.25 875.4367676 0.20 891.2373047 0.18 907.5523071 5.14 908.6687012 2.17 911.0998535 0.15 935.9589844 0.10 938.7280273 0.38 954.7011719 0.62 955.4245605 0.30 960.4418945 0.88 961.2145386 0.10 963.1430664 0.30 968.4306641 0.11 971.6830444 0.10 976.1970215 0.10 978.6289673 27.09 979.6941528 9.97 980.5350952 1.19 993.8576050 0.31 995.9917603 0.16 1007.8064580 0.24 1020.7391970 0.24 1023.3417360 0.23 1024.9725340 0.10 1025.8049320 0.15 1036.8033450 0.10 1047.9331050 0.05 1065.3311770 0.42 1066.0321040 0.42 1076.6616210 0.21 1083.6047360 0.59 1084.6319580 0.11 1092.7714840 0.22 1093.9306640 0.44 1095.2366940 0.13 1103.2683110 0.21 1117.7562260 0.33 1137.7224120 0.09 1144.4776610 0.17 1145.4332280 0.05 1146.0422360 0.31 1162.6052250 2.34 1164.0461430 0.70 1172.5727540 0.31 1180.5432130 2.08 1181.7788090 1.39 1182.6617430 0.12 1231.7576900 0.19 1232.7744140 0.22 1236.1091310 0.21 1249.1329350 0.39 1249.7774660 2.09 1250.9395750 1.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 810.9023 Annotation Unknow Peak:m/z Relative Intensity 233.2204132 0.07 246.2403412 0.21 255.1843567 0.18 284.0194702 0.11 285.9295349 0.31 289.1127014 0.25 290.2919922 0.09 291.8319702 0.57 295.1439819 0.51 296.1137695 0.40 304.0720215 0.13 307.1903076 0.59 308.2666016 0.33 312.3754272 0.14 313.0743713 0.46 320.8610840 0.13 325.3205261 0.37 329.3367920 0.45 341.0909424 0.14 344.2353516 0.20 346.4680176 0.07 356.9464722 0.18 361.1690979 0.42 363.0661011 0.58 366.0586243 0.29 367.4342651 0.24 368.5600586 0.09 380.4239502 0.40 382.1061401 0.15 390.0384521 0.12 391.0579224 0.88 394.3121948 0.19 395.1252441 0.08 398.0327148 0.11 404.0449219 0.24 407.2328491 0.75 408.3751831 0.90 410.4519043 0.09 411.4177246 0.06 412.3945923 0.60 413.3995361 0.19 420.8491211 0.08 426.2248535 0.24 427.5208740 0.63 444.5640869 0.37 450.5337524 0.14 452.5634766 0.25 456.2993774 0.12 457.4208374 0.15 458.3543701 0.73 460.1207886 0.17 468.9517212 0.07 477.5079956 0.13 478.9000854 0.56 480.4124146 0.11 483.9486694 0.19 487.8120728 0.15 490.4645996 0.82 495.4813232 0.17 496.9198608 0.39 497.6091309 0.16 498.5236816 0.28 505.3536987 0.28 506.2479248 1.37 507.5189819 1.94 508.5397949 2.12 511.4978027 0.20 516.4686890 0.40 523.4043579 0.47 524.4765015 0.62 525.2982788 2.90 526.3066406 0.26 538.5441895 0.39 541.2497559 1.38 542.2056274 0.49 549.3808594 0.33 550.2199097 0.36 551.0835571 0.08 552.8502197 0.24 553.9232788 0.05 558.4835815 0.15 562.9890747 0.20 567.0350342 0.21 571.2144775 0.46 572.4151001 0.23 573.3203125 0.41 574.6142578 0.12 577.4387207 0.23 579.4994507 0.06 581.1688843 0.81 587.5992432 0.73 588.6136475 0.83 589.4268799 0.36 591.9180298 0.25 595.1672363 0.15 596.0077515 0.59 596.9196777 0.23 604.3507080 0.12 609.9899902 0.88 612.9826050 0.79 616.8602905 0.19 619.0446167 0.31 619.6978760 0.26 620.3911743 0.17 622.3353271 1.38 623.0078735 0.66 623.7347412 0.09 624.8002930 0.41 625.5207520 0.37 628.4031372 0.17 630.6215210 0.18 631.8363647 1.71 632.9414673 0.21 636.4622192 0.76 637.3973999 1.05 638.4896851 1.14 639.3418579 0.52 640.4077759 6.38 641.4331055 0.92 645.5859375 4.46 646.7347412 1.43 649.6290283 0.21 650.3232422 0.66 655.4646606 0.30 658.1863403 0.34 659.5607300 0.64 662.4408569 0.69 665.5007935 0.42 666.4844360 0.30 667.4852905 0.10 672.1923218 0.53 673.4841919 0.08 675.6858521 0.29 676.8895874 0.65 678.7276001 0.91 679.3403931 0.63 680.3104858 0.71 681.1360474 4.30 682.1060181 0.54 683.1381226 0.46 685.9519653 8.39 686.7508545 1.93 687.4582520 0.60 688.4641724 1.29 690.2336426 0.22 691.4300537 0.16 695.1384888 55.16 695.9835815 2.42 697.2729492 1.03 698.2308350 0.28 699.3279419 0.85 701.0163574 0.11 702.0977783 0.26 704.1353760 3.30 705.1503296 0.16 708.6923218 0.38 709.5869141 1.03 713.0910034 2.03 718.0913696 0.26 719.8540649 0.38 721.5248413 0.32 722.2463989 0.70 723.4412231 0.42 726.2117310 0.11 727.1636963 0.34 730.5421143 9.11 731.2643433 3.67 732.1838989 0.21 735.6970825 13.57 736.5559082 4.99 737.9067993 1.44 738.8716431 0.92 744.6232300 100.00 745.5438843 4.62 746.3424683 1.58 747.2524414 0.69 752.6403809 1.24 753.6616211 0.09 755.6917114 1.08 756.5248413 0.50 761.7114258 10.60 762.5305176 0.32 764.0536499 0.24 765.5065308 0.10 766.5980835 0.05 767.8395996 0.12 769.2246094 0.17 770.1022949 0.83 771.9429321 0.33 773.3995972 1.69 777.5018921 1.28 783.2805786 0.19 784.8881226 0.34 786.3246460 1.93 787.6043091 0.91 788.9619751 0.07 793.4799194 1.99 795.2592163 6.90 796.3135376 0.94 797.0855103 1.11 799.7804565 0.82 802.1220703 19.00 802.9629517 2.16 804.5947876 0.12 805.3906860 0.13 806.4778442 0.25 809.2813110 0.06 828.3659058 0.09 831.5828247 0.16 843.3950806 0.53 849.2371826 1.07 864.4298096 0.25 865.2941284 0.85 866.8119507 0.63 867.5106201 0.21 877.5734253 0.18 879.3163452 1.18 883.6109619 1.71 884.7857666 0.62 897.4246216 0.44 902.6974487 0.05 917.0990601 0.22 923.0122070 0.54 924.1531372 0.85 929.7152710 1.03 930.5307007 0.55 932.8250122 0.61 935.0881348 0.47 936.4767456 0.51 937.4857788 0.23 946.5657349 0.39 947.4465942 1.10 948.4962769 0.57 961.4421997 0.14 963.1865845 1.04 963.8873901 0.98 964.8137207 0.82 969.9827271 0.72 978.3711548 0.32 980.5098267 0.46 981.5405884 8.50 982.5761108 5.26 983.5946655 1.73 985.1459351 0.27 987.9922485 0.20 998.5066528 0.51 999.4451294 0.45 1000.5419310 0.63 1002.2800290 0.15 1005.9442750 0.98 1009.1242680 0.39 1013.3458860 0.84 1031.1229250 0.28 1037.7382810 0.28 1044.6440430 0.07 1046.1473390 0.94 1046.7745360 0.05 1062.6910400 1.65 1063.6291500 0.47 1064.4725340 0.86 1072.0531010 0.30 1076.6644290 0.30 1078.5463870 0.18 1079.6671140 0.35 1080.4694820 0.11 1083.6066890 0.15 1093.2351070 0.16 1096.6750490 11.43 1097.6208500 7.44 1098.5947270 2.26 1099.6617430 1.09 1101.2908940 0.12 1103.5869140 0.15 1105.9719240 0.11 1111.9398190 0.22 1113.6474610 0.20 1115.1381840 0.37 1117.3945310 0.19 1121.1203610 0.86 1122.1928710 0.37 1130.5993650 0.83 1133.5507810 0.31 1135.7739260 0.57 1141.7069090 0.58 1143.7368160 0.45 1144.3958740 0.11 1145.5363770 0.99 1146.6326900 0.16 1151.0102540 0.39 1156.8535160 0.19 1159.3607180 0.14 1161.4249270 1.06 1162.5766600 0.15 1163.8392330 1.96 1164.7379150 0.54 1175.5859380 1.17 1176.4797360 0.56 1185.4876710 0.16 1192.5231930 1.79 1193.4815670 0.36 1194.6463620 0.12 1207.9709470 0.11 1209.7321780 1.91 1210.7802730 0.37 1217.3916020 0.16 1218.7127690 0.08 1219.8681640 0.08 1233.8787840 0.19 1242.7901610 0.11 1243.5325930 0.61 1244.8087160 0.64 1246.9786380 0.11 1250.3505860 0.09 1252.9002690 0.13 1254.5430910 0.11 1258.7292480 0.30 1260.7889400 2.09 1261.6556400 3.67 1262.7764890 1.36 1263.7613530 2.26 1264.8245850 0.14 1271.5808110 0.20 1274.5405270 0.67 1275.8238530 0.42 1279.7052000 0.16 1281.7398680 0.10 1288.6490480 0.16 1290.5360110 1.22 1291.7258300 0.52 1296.7246090 2.48 1297.8909910 1.00 1301.7231450 0.13 1302.8453370 0.38 1307.9831540 0.55 1311.8953860 0.34 1317.6055910 2.13 1318.7696530 1.64 1319.8776860 0.35 1328.3240970 0.42 1331.3751220 0.09 1345.0281980 0.47 1356.8637700 0.10 1358.0092770 0.19 1360.2033690 0.19 1360.8575440 0.05 1362.3778080 0.31 1365.5157470 0.21 1370.9990230 0.67 1372.3128660 0.93 1375.7963870 0.08 1388.7183840 13.73 1389.7287600 8.19 1390.6380620 1.86 1405.2457280 0.12 1407.2473140 0.64 1407.8546140 0.06 1408.8905030 0.60 1424.8688960 1.65 1425.6734620 0.79 1426.8927000 0.40 1429.7683110 0.15 1461.8360600 0.14 1487.8339840 3.43 1488.7259520 0.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 567.3492 Annotation FD 895 Peak:m/z Relative Intensity 147.8753662 0.06 161.1811829 0.11 167.0218201 0.14 169.3083038 0.03 171.0887909 0.07 183.0730286 11.61 184.4461670 0.07 185.1541901 0.05 189.1243286 1.98 211.1036682 16.48 214.0560760 0.05 217.2540894 0.16 227.3710175 0.24 236.2263641 0.14 239.1486206 0.02 242.8937683 0.02 251.1616516 0.09 254.2343140 0.08 255.3947449 0.05 264.1629333 0.59 266.0905457 0.05 268.2543335 0.09 279.0814819 0.14 279.8934326 0.11 282.1918335 12.63 284.3446350 0.21 286.1390076 100.00 289.1701050 0.02 300.8245850 0.03 317.0415039 0.04 324.2779541 1.55 327.1696167 0.12 330.9180298 0.02 337.1478271 0.11 338.8266602 0.13 346.2880859 0.02 350.2037964 0.03 351.3461914 0.94 356.9786987 0.06 358.1682739 0.09 369.0020752 0.06 379.2631226 2.27 390.2227173 0.10 391.9202271 0.04 392.7153320 0.04 394.1482544 0.05 395.2414551 0.15 399.3433838 30.67 401.3120728 0.06 403.0366211 0.11 407.5610352 0.04 408.1640625 0.07 415.8941040 0.12 417.4275513 0.04 421.3835449 0.61 435.1451416 0.28 438.1250000 0.17 441.8679810 0.03 445.2928467 0.16 451.1442261 0.16 453.9404907 0.12 458.6875610 0.14 462.5205078 0.03 463.1762695 0.06 464.4389648 2.97 465.9416504 0.04 473.1560669 0.08 474.0449219 0.22 477.4077148 0.57 478.1780396 0.44 480.4436035 0.04 481.7022095 0.15 485.4934082 0.26 492.3021851 22.72 492.9235840 0.12 493.9566650 0.08 496.3739624 1.67 498.3212280 0.09 500.0142212 0.08 502.4334106 0.04 503.3374023 0.06 505.2799683 0.35 506.2315674 0.13 509.6279297 0.42 513.0743408 0.30 513.7993774 0.31 514.9474487 0.14 521.5310669 0.16 522.7919312 0.26 524.8725586 0.16 526.4226074 0.04 528.4075928 0.66 530.5631104 0.11 531.3886108 0.02 532.5645142 0.03 534.4640503 0.02 538.4332275 0.35 539.3147583 0.37 540.1880493 0.31 547.3578491 0.36 549.4290161 3.52 550.1994019 0.04 551.1751099 0.04 551.7965088 0.14 553.3104858 0.11 554.5695190 0.16 555.8476562 0.66 557.9403687 0.75 558.8777466 0.03 566.6099243 0.32 575.6088257 0.06 576.7661743 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 407.1721 Annotation Ethotoin Peak:m/z Relative Intensity 115.8467255 0.21 126.9255295 0.06 134.9362793 0.05 142.0319672 0.22 144.1354218 0.08 156.9696350 0.19 159.1631317 0.92 173.0340576 0.24 179.1514893 0.07 182.2182159 0.09 186.1313934 0.58 191.2001648 0.10 198.9494171 0.21 203.0768433 100.00 209.1180115 0.08 226.2069550 0.17 240.0766602 0.11 245.3937683 0.08 258.1208191 0.42 276.4701538 0.21 285.2315674 0.04 287.1591187 0.19 290.1001587 0.16 292.6999817 0.04 304.2077332 0.09 305.9948120 0.08 314.1740112 0.06 315.1719666 0.23 319.3937988 0.05 320.0934448 0.24 329.0814209 0.06 331.3201904 0.07 333.2733765 0.15 338.1927795 0.04 345.2935181 0.09 357.4288635 0.04 360.0945435 0.06 361.2412109 2.89 362.2900696 0.10 363.3990784 0.23 371.5564575 0.62 372.1933899 0.56 374.5615845 0.12 388.1202698 0.40 389.2417603 2.23 390.1030579 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1333.6055 Annotation Unknow Peak:m/z Relative Intensity 415.4772034 0.01 423.3820801 0.09 449.3584595 0.02 453.6422729 0.04 467.2474365 0.51 471.6677246 0.05 485.3428955 0.03 487.5328369 0.20 501.2282410 0.01 515.4523926 0.10 516.6560059 0.04 576.3945312 0.02 583.5633545 0.01 585.6353149 0.02 601.4714355 0.08 615.5426025 0.02 617.7106934 0.03 619.6441650 0.48 629.5559692 0.04 633.4500122 0.02 637.6832886 0.05 643.5972900 0.02 657.9285889 0.02 661.5629272 0.66 672.5049438 0.02 675.3221436 0.01 683.7141113 0.02 699.7277832 0.02 703.5296021 0.76 704.4086914 0.02 709.4650879 0.01 715.7873535 0.06 717.6975098 0.06 725.6680908 0.01 727.4679565 0.24 737.5181885 0.05 739.3668213 0.01 745.1587524 0.12 745.7636108 0.01 757.4898071 0.01 761.6609497 0.01 763.4714355 1.84 764.5841064 0.08 777.0520020 0.01 781.4576416 2.80 782.5699463 0.35 787.2783203 0.08 805.4865723 2.76 806.3248901 0.29 821.5162354 0.02 823.5156250 13.08 824.5888062 0.64 847.5199585 0.23 848.6030884 0.02 855.9263916 0.03 863.7794189 0.09 865.4217529 100.00 866.4264526 4.11 867.1224365 0.01 895.0192871 0.03 905.3870850 0.04 907.4691162 0.99 908.5908203 0.04 947.5766602 0.49 948.5477295 0.07 949.6156006 0.02 967.1888428 0.02 1009.5201420 0.03 1027.7023930 0.03 1069.8315430 0.02 1165.4748540 0.02 1189.1536870 0.18 1189.8078610 0.06 1232.0712890 0.08 1271.4665530 0.07 1288.5450440 0.01 1289.7259520 0.05 1291.7155760 0.01 1297.4960940 0.03 1307.1538090 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 602.8826 Annotation Unknow Peak:m/z Relative Intensity 174.8339996 1.14 272.9612427 0.28 277.8338623 0.20 289.8059082 0.08 373.2092285 0.18 375.1275635 0.18 419.3650513 0.06 427.1399536 0.17 443.0036621 0.53 444.1235352 0.05 447.7131958 0.23 458.0988770 0.22 470.2620850 0.35 471.1575928 0.22 480.2196655 0.10 480.9627686 0.11 486.0245361 0.18 486.9962158 0.12 488.1751099 0.55 488.8898926 1.68 489.6141357 0.08 500.2452393 0.25 500.9120483 0.07 510.9917603 0.14 512.9574585 0.04 516.8689575 0.87 527.9783325 0.08 530.2260132 0.12 535.0430908 0.23 547.1305542 0.42 556.8556519 100.00 557.9678345 0.89 558.9783325 0.49 560.9901123 0.10 574.9752808 0.34 585.0202026 0.56 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1417.6252 Annotation Unknow Peak:m/z Relative Intensity 467.2211304 0.91 484.9571533 0.04 487.4217224 0.26 515.5442505 0.08 585.3672485 0.16 587.3526001 0.05 601.5215454 0.48 619.5925903 0.20 655.7763672 0.07 659.6737671 0.04 661.7579346 0.16 681.4425049 0.01 683.7359619 0.06 685.4519043 0.04 697.6538086 0.01 699.5943604 0.14 709.6405029 0.06 719.7065430 0.15 727.3750000 2.43 728.1000366 0.02 745.6393433 0.29 760.9580078 0.02 763.6376953 0.56 769.5063477 0.91 779.6889648 0.06 781.5507812 0.05 786.8907471 0.07 787.6328125 0.59 789.2589111 0.03 805.5652466 2.83 811.5778809 0.12 823.5537109 2.37 829.5255127 0.17 847.5327148 5.22 865.4237671 13.03 866.2492065 0.17 866.9363403 0.01 871.7077637 0.05 889.4815674 4.25 907.4128418 49.01 908.5201416 0.47 931.4107666 0.04 947.4494629 0.08 949.3831787 100.00 950.2766113 0.94 991.4945068 0.24 1111.7429200 0.02 1129.5860600 0.04 1153.6153560 0.03 1213.0760500 0.03 1253.3222660 0.05 1272.1823730 0.05 1273.2015380 1.97 1284.0823970 0.08 1314.7778320 0.02 1315.4450680 0.06 1335.8742680 0.05 1387.8017580 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 383.0466 Annotation SC-58125 Peak:m/z Relative Intensity 111.1462860 0.06 129.0432129 0.47 143.0644684 0.06 146.9782562 0.50 160.6141663 0.21 171.8682251 0.11 172.9557800 0.79 175.3549805 0.07 190.9949951 100.00 191.9579926 0.34 205.0072174 0.51 206.0562286 0.51 206.9834595 0.63 221.1271210 0.05 244.9487305 0.10 263.1759338 0.20 266.1480103 0.13 267.2677002 0.48 323.2260132 0.97 341.2164612 2.97 346.8030701 2.29 364.8854675 23.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 182.08 Annotation 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline Peak:m/z Relative Intensity 124.9357910 0.02 135.9524231 24.34 136.5676117 0.09 140.0100861 0.04 147.1277618 0.11 150.1726685 0.01 152.0353241 0.03 154.0950775 0.02 161.1984711 0.05 164.9781036 100.00 165.8370361 0.03 172.5591583 0.03 174.1585083 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 795.4519 Annotation Mabiogenin 3-[rhamnosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 327.2713013 0.09 391.1892700 0.06 407.4185181 0.27 425.5350342 0.38 426.4882812 0.02 427.5024414 0.19 457.3311157 0.04 471.4723511 11.25 472.4641724 4.10 473.1662598 0.05 483.7945557 0.04 485.4702759 0.22 486.1955566 0.04 495.2564087 0.07 514.7067261 0.04 524.3336182 0.02 525.7255859 0.21 526.8171387 0.03 567.4581299 0.20 568.6290894 0.17 570.3399048 0.24 578.8147583 0.02 580.5188599 0.12 585.6936646 0.08 586.6635132 0.09 593.6405029 0.24 594.5773315 0.27 598.6862183 0.03 615.5664673 4.92 616.5744629 2.16 633.4858398 100.00 634.5205688 45.98 635.5091553 0.40 643.1271362 0.04 647.3762817 0.37 648.5094604 0.04 660.0930786 0.11 669.8863525 0.06 675.5039062 0.30 676.7276001 0.19 698.6653442 0.03 699.6406860 0.03 700.3848267 0.03 729.7540283 0.25 730.3726196 0.08 731.9757690 0.03 736.1304321 0.05 741.4429932 0.05 742.4812622 0.14 752.7278442 0.07 758.0621338 0.09 759.3873901 0.37 760.4658813 0.02 777.4987183 4.76 778.6052246 2.94 779.3407593 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1293 Annotation Veranisatin B Peak:m/z Relative Intensity 112.8222733 1.25 133.1534729 0.08 136.9937439 9.59 139.2413940 0.09 142.9508362 0.12 146.0671844 0.08 148.9759521 0.08 157.2010498 0.15 160.9567261 1.15 164.0825195 0.58 171.1263428 0.07 175.0701904 0.67 177.0449677 0.14 179.0207214 14.48 188.2598877 0.06 189.0448761 0.15 191.0868530 0.13 193.1962891 0.50 205.1957703 0.03 207.1354828 0.92 211.0769196 5.71 223.9680481 0.07 225.1518250 0.26 231.0364990 1.32 249.0812988 59.68 267.0985718 100.00 281.1132202 0.21 295.0888977 0.17 325.1319580 1.77 327.1476440 0.39 341.1698914 44.05 343.3622437 0.74 350.3619995 0.17 352.0426941 0.11 353.4054871 0.05 357.3592834 0.29 369.1348572 5.64 372.1216736 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 625.2783 Annotation Manauealide A Peak:m/z Relative Intensity 179.2068176 0.11 205.1308746 0.10 219.4063416 0.24 220.9897614 0.89 300.7011719 0.11 315.1372070 0.06 323.0641479 9.90 341.0227051 0.07 346.8061523 0.20 357.0913086 0.09 364.9879761 0.13 369.0014038 3.28 375.0159912 0.24 378.9827271 0.04 411.2008667 0.08 415.5708618 0.07 417.2855225 0.09 421.0934448 0.07 462.5686035 0.28 463.4844360 0.13 477.0485229 0.21 499.0800781 0.25 522.3485107 0.05 527.4987183 0.09 528.2951050 0.07 529.0928345 0.24 532.9358521 0.17 539.2285767 0.08 543.4744873 0.05 563.6002197 0.11 567.0079956 0.16 573.1681519 0.20 580.1552124 8.23 581.1235352 0.76 581.8444824 0.19 582.8858643 0.31 584.9069214 0.05 586.4228516 0.19 589.3184204 0.08 590.4606323 0.08 602.1789551 49.16 603.1729126 31.65 604.1953125 4.41 605.1288452 1.21 605.7695923 0.04 606.4542847 0.08 607.2628784 0.36 613.5133667 0.13 633.5222168 0.73 657.6900635 0.19 675.5525513 3.70 782.6742554 0.04 795.5255737 3.78 819.5029907 0.71 823.2539673 0.41 823.8977051 0.09 837.4904175 100.00 838.1751709 0.30 865.0515747 0.37 881.3679810 0.61 925.0142212 0.66 1041.4854740 0.05 1161.2612300 7.17 1161.9377440 0.12 1205.4281010 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1233.5874 Annotation Nigelloside B Peak:m/z Relative Intensity 347.2335815 0.01 375.4865417 0.03 405.7857971 0.05 423.3317566 0.06 425.5243835 0.06 467.2774963 1.02 468.3087158 0.09 470.4436035 0.01 471.5429993 0.60 472.5819702 0.04 485.3005066 0.03 513.4539795 0.01 585.4199219 0.09 603.4765625 4.57 604.5875244 0.41 630.3453979 0.03 645.3508301 0.02 647.3663330 0.02 661.2542725 0.01 676.1267700 0.01 703.3852539 0.02 704.8977661 0.01 730.7233276 0.02 747.6277466 0.57 748.5151367 0.24 763.5579834 0.06 765.5078125 100.00 766.5432129 13.26 769.4734497 0.09 807.5069580 0.54 808.5744629 0.04 847.5067139 0.27 863.6693115 0.01 909.7333984 0.01 1025.2609860 0.02 1027.4335940 0.01 1089.5159910 0.15 1090.2202150 0.14 1090.8582760 0.01 1103.3015140 0.01 1121.2248540 0.10 1125.2816160 0.01 1143.5402830 0.05 1203.0488280 0.03 1211.9809570 0.06 1216.1363530 0.02 1219.7177730 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1168.5989 Annotation Unknow Peak:m/z Relative Intensity 336.2373657 0.62 337.0494995 0.99 339.4012146 0.06 343.2484436 0.12 344.1068726 0.06 351.3407593 0.20 353.4512329 0.07 367.6069336 0.30 368.2775269 0.11 369.0919189 0.12 370.3870239 0.05 371.4149475 0.57 374.4866333 0.04 381.9288940 0.42 382.6808167 0.20 383.4176941 0.16 385.9487915 0.13 389.2695312 0.13 390.0302124 0.08 392.0489502 0.16 398.1829834 0.13 405.5222168 0.28 406.1403198 0.35 407.3804932 0.56 409.3790894 0.10 414.2747192 0.19 415.3454590 0.06 420.1011658 0.19 422.4643555 0.24 423.3861084 0.08 426.3768921 0.14 433.3201294 0.08 434.4490967 0.27 436.3336182 0.26 437.2595520 0.39 440.5577087 0.69 441.5125427 2.61 442.5095520 0.16 446.3086243 0.17 447.3117676 0.16 449.4159546 0.15 450.3223877 0.21 451.1864624 0.09 452.9170837 0.06 453.5345459 0.22 455.6784058 0.08 458.3470459 3.33 459.3881836 0.67 460.6998291 0.05 464.2764282 0.06 465.2955627 0.15 470.1083984 0.20 475.4619141 0.12 478.4566650 0.14 481.5015564 1.19 488.5012817 0.20 493.4334717 0.11 495.3804932 0.50 499.3339844 0.18 500.3768616 0.15 504.4273071 0.22 510.2402649 0.76 513.7526245 0.07 514.7479858 0.19 520.5403442 0.12 522.5017090 0.12 531.6365967 0.31 533.5597534 0.16 535.4060059 0.41 536.4406738 0.08 538.6638184 0.24 539.3760986 0.54 540.3894653 0.71 541.2720947 0.53 542.2412109 0.15 543.2872314 0.08 546.5871582 0.25 547.3312378 0.17 549.7352295 0.20 550.4158936 0.05 551.7052002 0.14 552.6358643 0.55 554.3259277 0.14 557.4353027 10.06 558.5516357 3.16 559.3857422 0.37 560.8931885 0.66 562.6612549 0.21 563.2968140 1.72 564.3751221 0.29 565.5761719 0.12 570.0672607 0.08 570.6798096 0.08 577.6623535 0.05 580.6507568 1.70 581.6962280 0.10 583.3941040 0.36 584.4158325 0.14 585.3721924 0.38 587.2106934 0.74 590.0957031 0.20 594.5908203 0.45 595.3776245 0.27 597.5259399 0.12 603.9552002 0.68 605.6430664 0.18 606.6485596 0.29 609.4856567 0.06 612.6523438 0.45 619.2960815 0.20 627.5919189 0.10 629.6764526 0.15 630.7908936 0.21 631.5504150 0.27 632.3546143 0.35 634.2526245 0.10 635.9458008 0.08 640.5513916 0.20 641.7156982 0.18 644.1869507 0.15 648.5675049 0.13 649.5243530 0.04 650.5910645 0.20 651.4857788 0.52 653.2126465 1.88 660.3519287 0.12 667.4506226 0.12 668.3283081 0.20 673.6137085 0.05 677.3251953 0.27 678.4936523 0.23 683.1286011 0.22 685.3358765 0.10 686.4700928 0.82 687.2956543 0.17 690.6253662 0.05 693.0639648 0.77 698.6252441 0.07 700.6113892 0.27 701.4776611 0.18 702.3481445 0.37 706.4889526 0.16 707.7880249 0.33 708.5342407 0.06 710.2411499 0.91 711.4372559 0.11 716.9414673 0.46 722.3338013 0.28 725.6984253 0.39 727.7073364 0.77 728.6597900 0.16 731.5643311 0.23 740.9759521 0.13 741.7205811 0.07 745.2970581 1.18 746.3717651 0.20 748.6090698 0.12 751.6409912 0.16 753.0152588 0.42 758.0667725 0.19 762.7025146 1.53 763.6032715 1.15 764.6651611 0.13 766.5691528 0.34 768.5502930 0.10 774.3781128 0.28 776.9082031 0.38 778.6457520 0.23 779.5553589 0.54 780.8015747 0.19 783.3750610 0.64 785.0684814 0.17 786.5644531 0.12 789.0187988 0.19 790.7374268 0.19 791.4361572 0.27 794.0857544 0.16 794.8825073 0.06 795.5655518 0.18 799.8150635 0.74 800.5795898 2.15 801.7648315 0.40 802.7038574 0.27 809.2351074 0.25 811.1713257 0.12 813.4121094 0.11 815.7185059 0.59 817.0458984 0.45 820.8836060 0.43 821.9880981 0.05 824.4934082 0.86 829.7244873 0.16 835.5377197 0.07 836.6390381 0.15 837.4792480 0.37 838.3256836 0.16 840.3406982 0.09 842.5103760 0.37 846.6070557 0.22 847.9637451 0.19 850.5894775 0.26 851.6279297 0.13 852.7116699 0.59 853.7924805 0.67 854.8596191 0.66 857.6668701 1.12 858.5450439 0.14 859.6219482 0.67 860.5925293 0.09 861.5659180 0.17 871.6636963 4.76 872.6457520 1.21 873.6312256 1.08 874.7285156 1.79 875.6210938 0.10 877.0233154 0.71 879.1390381 0.45 880.1221924 0.50 883.5866699 0.29 888.7496338 0.15 890.4815674 0.41 891.3416748 0.19 892.7059326 1.23 893.4176025 0.24 894.6469727 0.16 896.7288818 0.30 898.1586914 0.57 899.7476807 0.18 901.0682373 0.38 905.5092773 0.60 908.4346924 0.22 909.6187744 0.10 914.5328369 0.14 915.4876709 0.78 917.4208984 1.80 918.3265381 0.76 920.0590820 0.41 920.9841309 0.08 922.3658447 0.11 927.5946045 0.47 929.9822998 0.52 931.7196045 0.19 932.6030273 0.08 934.9047852 1.13 936.0944824 0.82 937.7679443 0.10 943.0443115 2.29 943.9073486 3.90 944.7656250 0.44 945.6846924 0.50 947.5051270 0.63 949.6608887 0.52 950.6142578 0.13 953.0367432 0.12 954.2442627 0.25 955.6098633 0.32 957.4665527 0.37 958.2998047 0.31 963.6840820 0.27 964.5260010 0.20 965.6666260 0.50 967.7525635 0.31 968.6082764 0.54 969.8330078 0.27 970.8657227 0.31 971.6309814 0.11 973.3049316 0.52 974.2159424 0.06 977.7889404 0.47 978.9375000 0.44 979.6029053 0.48 981.2396240 0.35 982.5905762 0.15 983.7915039 1.86 985.3317871 0.40 986.4525146 1.19 987.3851318 0.23 989.5986328 55.77 990.5649414 25.11 991.6362305 8.75 992.4637451 2.18 993.2521973 0.56 993.8872070 0.08 999.9367676 1.02 1001.3300780 8.95 1002.2012940 4.66 1003.1499020 0.15 1004.8118900 0.15 1005.7165530 0.34 1007.6014400 0.39 1009.5776370 0.44 1011.4468990 0.46 1013.5610350 0.28 1016.6547850 0.32 1017.6428220 0.06 1018.7303470 0.19 1019.3853760 0.21 1021.5507810 0.27 1025.5598140 0.20 1026.3902590 0.08 1027.6883540 0.91 1028.5295410 0.09 1031.9106450 0.18 1033.2070310 0.18 1034.5822750 3.80 1035.5799560 3.07 1036.8349610 3.19 1037.6173100 1.25 1038.2622070 0.86 1040.7500000 0.24 1041.3603520 0.39 1042.7419430 0.15 1043.7303470 0.73 1044.8183590 1.08 1045.8854980 0.28 1049.0083010 2.44 1049.9298100 1.06 1050.6602780 0.39 1051.3278810 0.40 1053.5552980 0.15 1054.6298830 1.44 1055.5744630 1.18 1056.4271240 0.13 1057.0827640 0.41 1057.7027590 0.19 1058.6376950 0.30 1061.5744630 0.71 1064.0848390 1.50 1065.3671880 6.88 1066.3594970 3.88 1067.3446040 1.27 1068.6954350 0.09 1072.0784910 0.59 1073.6708980 0.44 1078.4924320 0.14 1079.3536380 0.12 1080.8233640 0.57 1082.0566410 3.06 1083.0238040 0.64 1084.3962400 0.70 1085.1380620 0.48 1086.4398190 0.81 1087.4248050 3.47 1088.4582520 1.31 1090.3977050 0.21 1091.1418460 0.55 1091.9029540 1.93 1093.5423580 25.28 1094.4915770 4.28 1095.2039790 0.95 1095.9752200 1.23 1100.5485840 5.17 1101.2340090 20.31 1102.0446780 2.11 1102.7423100 0.87 1103.5461430 0.49 1104.9567870 0.15 1106.7584230 4.32 1107.5437010 2.67 1108.7768550 0.45 1110.5952150 0.06 1111.6845700 0.42 1112.3994140 0.08 1114.0394290 1.10 1114.9516600 1.62 1115.8088380 1.36 1116.7172850 1.02 1117.8098140 0.56 1120.5236820 8.13 1121.6955570 1.50 1123.0354000 1.35 1123.6773680 0.05 1124.6553960 0.98 1125.8259280 17.70 1126.8983150 1.46 1128.2363280 0.98 1129.2318120 2.26 1130.2192380 1.53 1131.1079100 1.41 1132.0512700 1.65 1132.7634280 0.22 1134.6347660 3.60 1135.4650880 0.74 1136.7573240 0.68 1137.5925290 0.12 1139.4605710 0.08 1140.9267580 0.54 1142.2102050 0.18 1143.1984860 0.66 1144.0257570 0.54 1144.7282710 0.11 1145.8220210 0.44 1147.8002930 10.30 1148.6409910 5.89 1149.6551510 5.41 1150.5469970 0.18 1152.0324710 1.14 1152.7033690 0.69 1154.1428220 8.30 1154.8551030 12.97 1155.7949220 2.37 1157.0390620 4.07 1157.8016360 3.92 1158.6086430 1.66 1159.2951660 0.12 1160.3046880 0.13 1163.0764160 1.72 1166.5039060 0.10 1174.6235350 0.07 1175.9294430 0.11 1179.9278560 5.12 1180.7874760 1.11 1181.6113280 0.63 1184.3935550 0.39 1185.2116700 0.05 1188.5456540 0.28 1189.8571780 0.45 1191.6950680 4.43 1192.8903810 4.40 1193.7673340 2.31 1194.6208500 0.76 1201.8452150 0.12 1205.1043700 0.38 1205.7312010 0.37 1207.1948240 0.36 1210.0759280 0.10 1212.7951660 0.09 1214.8363040 0.20 1219.8400880 0.10 1221.8431400 0.53 1222.8452150 0.28 1225.1477050 0.28 1228.7369380 0.62 1234.1420900 0.08 1235.8764650 3.18 1236.5395510 2.68 1237.5312500 2.69 1238.5185550 0.28 1239.4337160 1.00 1240.0411380 0.15 1241.0363770 1.04 1242.6596680 0.18 1245.8710940 1.19 1248.2557370 0.10 1249.6843260 7.69 1250.7779540 4.45 1251.6031490 0.34 1256.4929200 0.14 1258.2102050 37.12 1258.9776610 100.00 1259.9602050 26.16 1260.9625240 0.07 1262.4106450 0.22 1263.3109130 0.18 1265.1219480 0.26 1272.5966800 0.10 1273.8168950 0.15 1276.0277100 0.67 1276.7368160 0.80 1277.4653320 1.42 1278.6411130 1.31 1279.8919680 0.22 1286.5761720 0.08 1287.6091310 0.24 1289.3409420 0.28 1295.2092290 0.87 1296.4157710 0.64 1297.6586910 0.06 1299.0810550 0.96 1303.2998050 0.33 1304.6013180 3.38 1305.7336430 2.13 1306.6315920 1.22 1307.6455080 2.97 1308.5656740 1.22 1309.2219240 0.35 1314.6958010 0.53 1315.5549320 1.05 1316.2883300 2.16 1317.1243900 6.58 1317.9980470 2.55 1319.0744630 1.33 1321.9919430 0.11 1322.7282710 0.33 1324.2186280 0.16 1326.4382320 0.20 1330.5214840 0.38 1331.6842040 0.89 1332.7823490 0.18 1333.6065670 0.55 1334.5645750 0.11 1336.9442140 0.12 1339.1822510 1.29 1340.0477290 0.73 1340.7528080 1.25 1342.2481690 0.17 1343.4141850 0.25 1345.2524410 0.21 1346.9521480 0.25 1349.1566160 0.44 1349.9017330 0.15 1350.6046140 0.10 1353.1815190 2.95 1353.9099120 1.96 1354.7288820 0.16 1359.5341800 0.07 1360.3150630 0.23 1361.3986820 1.27 1362.2276610 3.47 1363.0562740 0.40 1368.0386960 2.42 1368.9849850 1.53 1369.9742430 0.37 1375.9007570 4.31 1376.8612060 1.05 1377.7318120 0.45 1378.9361570 0.47 1381.3518070 0.61 1382.7495120 0.19 1385.0690920 0.05 1387.0506590 0.19 1387.9874270 0.14 1389.5577390 4.57 1390.5717770 5.01 1391.5125730 0.12 1393.3258060 0.28 1395.1026610 0.73 1395.8111570 0.39 1397.8939210 0.26 1399.7210690 0.39 1400.9851070 1.09 1402.4803470 0.23 1405.4516600 0.36 1407.7941890 3.19 1408.7390140 1.09 1409.9276120 4.45 1410.9461670 3.50 1411.7152100 1.53 1416.0775150 0.14 1417.0731200 0.24 1417.7884520 0.44 1418.7799070 0.32 1420.8687740 0.11 1425.5091550 0.12 1428.6632080 0.22 1429.7315670 0.19 1432.6165770 1.74 1433.8107910 1.56 1434.8323970 0.74 1435.8978270 0.26 1439.0411380 0.32 1441.4918210 1.50 1443.5792240 0.26 1444.8629150 0.93 1445.8363040 0.76 1446.6614990 0.73 1447.3507080 0.04 1448.4132080 0.32 1449.0926510 0.19 1452.3079830 0.81 1454.2386470 1.39 1454.9356690 0.18 1455.9431150 0.73 1457.5401610 0.16 1460.6383060 7.25 1461.5513920 5.99 1463.1068120 13.08 1464.0889890 9.42 1465.0916750 2.45 1466.3778080 2.64 1467.3629150 0.46 1469.5264890 0.20 1470.3018800 0.06 1474.5111080 32.77 1475.4552000 39.27 1476.4411620 4.08 1477.6705320 1.51 1478.9689940 0.18 1480.0234380 0.43 1482.8642580 0.11 1485.8947750 0.26 1487.8199460 0.43 1489.7369380 0.14 1491.9682620 0.47 1495.4324950 0.29 1498.9405520 0.11 1500.0399170 0.27 1500.9132080 0.72 1502.2921140 0.82 1503.6951900 10.51 1504.7803960 7.30 1505.8630370 2.79 1506.8590090 3.27 1507.7674560 3.16 1510.4188230 3.08 1511.3071290 1.46 1512.6895750 11.53 1513.5726320 10.84 1514.5322270 0.75 1515.4852290 1.86 1516.7044680 3.22 1517.6988530 0.11 1519.9263920 0.23 1521.9532470 0.10 1523.6907960 6.27 1524.6226810 16.26 1525.5361330 6.82 1526.2945560 0.42 1530.9315190 0.38 1533.5008540 0.35 1534.5262450 1.24 1544.2667240 0.65 1544.8873290 0.63 1551.9036870 0.33 1555.0316160 0.12 1555.8955080 0.35 1556.9595950 0.13 1562.4169920 0.05 1564.8388670 0.27 1565.5711670 0.08 1570.6337890 0.21 1573.1166990 2.06 1574.3848880 0.43 1581.4233400 1.79 1582.4318850 1.71 1583.0955810 0.45 1585.6168210 0.09 1587.2932130 0.10 1597.5576170 0.34 1602.0323490 0.06 1602.7894290 0.46 1603.7952880 0.36 1605.0743410 0.40 1608.8215330 0.25 1610.1168210 0.59 1616.8763430 0.10 1620.0700680 1.42 1620.9472660 1.52 1621.9547120 1.06 1622.9555660 0.92 1627.0422360 0.09 1628.1325680 0.11 1630.2679440 1.57 1631.4396970 2.60 1632.2672120 1.92 1637.7762450 0.12 1643.3811040 0.12 1645.2292480 0.34 1646.0816650 0.08 1646.7730710 0.15 1648.6165770 0.19 1656.2023930 0.24 1662.0762940 0.45 1671.9259030 0.60 1673.0145260 1.16 1689.3977050 0.34 1710.9783940 0.13 1716.2487790 0.15 1729.0438230 0.29 1729.9625240 0.25 1730.8454590 0.61 1732.7515870 0.18 1734.1024170 0.15 1743.1090090 0.21 1746.0670170 0.34 1748.0721440 0.12 1753.8723140 0.19 1757.2176510 0.08 1760.2628170 0.69 1773.1326900 0.15 1778.6032710 0.18 1779.6414790 0.10 1780.6794430 0.63 1781.8538820 0.29 1798.9918210 0.20 1803.0305180 0.11 1816.0284420 0.62 1817.0568850 0.35 1818.2681880 0.39 1829.3282470 0.59 1829.9976810 0.58 1830.9157710 0.63 1834.0793460 0.13 1842.8436280 0.07 1843.5460210 0.23 1850.7064210 0.12 1853.0866700 0.31 1865.2254640 0.13 1868.3114010 0.89 1869.0977780 0.71 1888.1687010 0.16 1894.2971190 0.21 1911.7271730 0.05 1913.3494870 0.19 1928.5153810 0.11 1931.9915770 0.36 1933.0845950 0.21 1941.2969970 0.57 1942.2161870 0.55 1944.5462650 0.15 1947.2540280 0.26 1959.1871340 2.43 1960.0256350 2.22 1961.1942140 1.78 1962.1478270 1.03 1963.0509030 0.46 1981.2839360 0.14 1983.0494380 0.41 1983.9123540 2.11 1985.1326900 2.61 1986.0650630 1.13 1987.2833250 0.29 1987.9847410 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 427.1247 Annotation Unknow Peak:m/z Relative Intensity 130.3683777 0.71 131.0447845 1.92 133.1226501 0.04 144.1223297 0.10 144.9670715 0.13 149.0571747 14.38 151.1550140 0.06 158.8626251 0.03 169.2010956 0.04 171.1903534 0.06 184.9451294 0.11 191.2656250 0.06 203.2027130 0.16 204.9874268 0.22 221.3138123 0.08 222.8995819 0.22 229.0992584 2.33 233.2268677 0.05 241.1696167 0.03 245.1524048 0.13 246.2474976 0.12 246.9684753 1.93 253.0339966 0.08 259.0703430 0.20 264.0355530 0.37 265.1385193 0.25 277.2883606 0.13 291.0839844 0.16 298.4338074 0.33 299.3040161 0.21 305.0783691 0.11 310.9029541 24.00 311.6782532 0.04 328.4320068 0.43 330.3060608 0.05 335.2706909 0.08 362.8631592 0.06 365.4236450 0.05 367.1847534 0.36 379.4839172 0.06 380.2279358 2.18 381.2248230 0.05 382.5042419 0.13 383.3539734 0.03 384.3966370 0.13 395.1172180 0.03 397.4746399 0.05 409.0540771 100.00 409.7707520 0.50 412.2606201 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 758.3901 Annotation 4''-Deisopentanoylcarbomycin A Peak:m/z Relative Intensity 225.2023315 0.19 235.4399872 0.02 243.0539398 0.03 244.0751343 0.04 252.1503296 0.06 253.1838989 0.14 254.0505371 0.03 261.1781311 2.28 262.2004395 0.05 263.1448059 0.11 270.0219116 0.07 280.1139526 2.09 281.2774963 0.45 281.9763794 0.02 288.0592651 0.06 291.9687195 0.17 293.2893066 0.03 298.1318359 2.03 299.7713318 0.66 300.8812561 0.08 310.1862793 0.22 314.3297424 0.08 319.2334900 0.05 326.2987061 0.25 328.2088013 0.24 335.2040405 0.04 337.5231934 0.09 341.1755676 0.03 344.2713013 0.02 345.0780640 0.04 351.3215332 0.12 353.1817322 0.14 354.3657837 0.38 355.1376343 0.06 362.2074280 0.38 363.2489624 0.24 363.9874573 0.05 367.1773682 0.04 369.1735229 0.34 370.3685913 0.22 371.3814697 0.03 372.1638184 0.16 373.2520752 0.06 379.0752563 0.09 381.2161255 0.45 389.1040649 0.02 391.1618042 0.84 392.1495972 0.30 394.4704590 0.04 397.2432861 0.16 399.3134766 1.74 400.2797241 0.58 401.3043823 0.11 407.2650757 0.09 409.1341553 2.74 410.2343750 0.88 413.3164673 0.10 415.2431641 0.14 421.5567627 0.04 427.2551270 0.46 428.2583008 0.14 436.4179077 0.14 437.4000854 0.06 441.2497559 1.63 442.1449585 0.53 450.1564941 0.13 451.4290771 0.22 452.4615479 0.08 453.2615356 0.12 454.5006104 0.12 455.2072144 0.03 459.2673950 70.74 460.3947754 12.65 462.3502808 1.00 463.4238892 0.17 464.3881226 0.13 465.3231201 0.13 468.3306885 1.05 469.3076782 0.35 474.3969727 0.07 480.2633057 3.61 481.3837280 1.50 482.2462769 0.23 483.0454712 0.05 489.3850708 0.02 490.3397827 0.08 495.3703003 0.01 496.8862915 0.16 498.2973633 2.57 499.3552246 1.11 500.4361572 0.22 501.0615845 0.03 506.1927490 0.12 509.5646973 0.04 511.0301514 0.02 524.1486816 0.04 525.4045410 0.04 526.4594116 0.10 527.5704956 0.05 528.4664307 0.06 533.1405029 0.07 534.3897095 0.30 535.3013916 0.08 538.0455933 0.14 539.2349243 0.03 551.3201294 1.40 552.4535522 0.77 553.3797607 1.00 554.4064941 0.31 561.2377319 1.49 562.3626709 0.45 569.2667847 2.92 570.3429565 2.36 571.3225708 0.17 579.3179321 32.84 580.4348755 11.52 582.4316406 0.08 583.4092407 0.24 588.3068237 9.19 589.3407593 2.05 597.3244019 100.00 598.3628540 25.91 599.0514526 0.21 609.5319214 0.10 610.4966431 0.05 615.3838501 0.04 626.3732910 0.03 627.3298950 0.05 639.2502441 0.15 640.4054565 0.10 643.4286499 0.15 645.0267944 0.10 655.0615845 0.02 655.8463745 0.04 656.4855347 0.10 661.4968262 0.12 669.0772705 0.09 671.0308838 0.13 677.4658203 0.02 681.8303833 0.03 682.4871216 0.19 686.2145386 0.08 687.4978638 0.04 690.2763062 0.05 692.5231323 0.15 698.0551147 0.46 704.1462402 0.29 705.8408813 0.03 708.2846069 0.40 709.3222656 0.17 713.2733154 0.05 715.0413208 0.02 722.7289429 0.07 723.7232056 0.09 726.4242554 1.60 727.4054565 0.44 731.6624146 0.18 734.0443726 0.24 737.8468628 0.13 740.3442383 4.17 741.4627075 0.93 744.6017456 0.06 747.2706909 0.15 750.2374878 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 381.14 Annotation Securamine D Peak:m/z Relative Intensity 112.8809204 0.05 119.9774780 0.47 125.1213837 0.02 127.9645691 6.60 143.0546570 0.05 147.0861511 0.02 153.1127014 0.08 161.0289917 0.15 171.0607910 0.62 173.0587006 0.70 179.0347748 0.29 196.8541870 0.04 197.4580994 0.03 200.8759003 0.03 207.0773163 1.28 213.0372009 0.05 213.9934387 0.01 215.0817261 0.60 225.1304932 0.04 231.1907959 2.58 249.0377197 100.00 252.1141357 0.07 262.2194214 0.07 262.9076233 0.09 275.0526733 0.13 311.1475525 0.10 315.6089478 0.03 317.2672119 0.02 317.8908997 0.02 335.0249939 2.61 344.8124695 0.09 362.9098511 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.3433 Annotation Unknow Peak:m/z Relative Intensity 179.0877991 0.03 201.9596100 0.07 209.0127716 0.11 219.1578369 0.13 235.2151184 0.92 241.1783142 0.13 253.1832581 5.05 255.2502441 0.04 272.2816467 0.04 281.3356018 49.27 285.2720947 0.05 297.7246094 0.08 299.3849182 0.05 307.1940002 0.04 315.9697266 0.04 335.5195923 0.04 337.4997559 0.03 353.3470459 0.08 384.3070068 0.14 389.2658691 0.07 391.3618774 0.06 415.7088013 0.12 429.1519775 0.06 433.8671875 0.13 447.4168701 0.08 460.4682617 0.13 463.5996094 0.11 476.9557495 0.07 478.6414185 0.04 483.3425903 0.18 489.0898438 0.07 490.3477173 0.04 491.1743164 0.23 501.5142212 0.42 502.2841797 0.10 503.2023315 0.03 507.3776855 0.18 508.6313477 0.03 509.6256104 0.39 517.1342773 100.00 517.7859497 0.71 518.9887695 0.06 519.6173706 0.09 520.3423462 0.17 528.1715088 0.09 532.4625244 0.19 544.6177979 0.76 545.6456299 0.16 560.2061768 0.11 563.1934204 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1305.6091 Annotation Unknow Peak:m/z Relative Intensity 395.3823242 0.01 407.4281616 0.04 422.8393250 0.01 425.3859253 0.01 449.3272400 0.03 457.4146118 0.02 467.2755127 0.67 468.1994629 0.01 471.4389038 0.51 472.5157471 0.04 511.2374268 0.02 513.5588989 0.01 585.5128174 0.00 615.5720215 0.58 616.4859619 0.07 631.5444336 0.03 633.5116577 4.03 634.5734863 0.20 655.6189575 0.01 659.8881836 0.01 675.8096924 0.04 687.4300537 0.01 689.2736816 0.02 699.4898682 0.02 729.5670166 0.06 741.5137329 0.02 751.5034180 0.02 758.8972168 0.05 759.5633545 0.03 776.5895996 0.09 777.5227051 6.58 778.5518188 0.55 793.5213623 0.09 795.4859009 8.47 796.6215820 0.72 809.6773682 0.02 818.1968994 0.01 819.5277710 0.54 820.5235596 0.06 835.7111816 0.87 837.4965210 100.00 838.4587402 7.74 839.1701660 0.01 861.5423584 0.01 876.8471680 0.02 877.6345215 0.04 878.5543213 0.03 879.3391113 0.63 880.4383545 0.09 895.4667969 0.01 919.0643311 0.08 919.7497559 0.14 920.7080078 0.00 937.5386963 0.13 961.2376709 0.04 981.3945312 0.08 982.2127686 0.03 1099.2451170 0.01 1101.6922610 0.05 1143.3327640 0.03 1161.4119870 0.18 1162.2341310 0.06 1203.3090820 0.02 1204.3557130 0.02 1215.9467770 0.01 1245.4375000 0.02 1260.8410640 0.01 1261.5285640 0.04 1263.4250490 0.05 1264.4670410 0.00 1275.3255620 0.01 1279.3558350 0.07 1283.5808110 0.01 1284.3389890 0.05 1288.2550050 0.02 1307.1639400 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 575.1894 Annotation Unknow Peak:m/z Relative Intensity 163.0490875 1.78 164.0205383 0.13 176.8988647 0.02 186.9642029 0.03 188.0855560 0.27 188.9313965 0.05 192.9518280 0.04 205.1177063 0.06 206.0425568 0.07 208.0350647 0.01 210.7500000 0.02 212.3467407 0.04 213.1623230 0.14 213.8249969 0.11 216.1682434 0.17 226.8943176 0.04 228.2190399 0.04 229.1984558 0.12 230.1297150 0.05 231.1143036 0.02 232.1639404 0.02 233.2413330 0.62 234.2142334 1.88 234.9395905 0.16 237.1850586 0.02 238.2668304 0.07 248.3522339 0.08 251.0987854 90.88 252.1504211 8.84 256.0465088 0.04 257.1168213 0.07 260.7346191 0.09 262.9718018 0.04 274.5116577 0.03 283.9869385 1.68 285.0977478 0.35 287.3236084 0.02 290.0112305 0.03 293.3887329 0.04 294.1119995 0.05 297.3677979 0.06 299.9277344 0.08 307.5437317 0.07 308.4972534 0.13 311.0780945 0.04 313.5219116 0.03 323.3320312 0.02 325.3169556 0.06 327.9020996 0.10 329.0767212 0.25 331.2722778 0.09 332.3038330 0.39 334.3994141 0.06 337.3217163 0.05 338.6318970 0.11 340.7553101 0.16 343.2499390 0.09 348.2492065 0.06 349.2122803 0.09 355.1034546 0.02 355.7584229 0.03 357.1992188 0.12 364.4266357 0.15 371.3010254 0.02 372.4626465 0.06 377.2126465 1.13 378.1497803 0.04 384.0229492 0.13 387.3114624 0.18 390.2158203 0.03 391.2350464 0.15 392.2568359 0.10 394.3308105 0.07 395.2854614 0.31 396.3311768 0.12 397.6071777 0.06 398.7972412 0.04 400.2376099 0.10 402.0789795 0.02 406.1842041 0.04 410.0695801 0.06 413.0821533 100.00 414.1304932 15.59 415.0028687 0.19 422.1328735 0.02 425.5192261 0.14 426.2850342 0.21 427.6387329 0.06 429.1931152 0.37 430.3481445 0.03 438.2992554 0.18 440.8760376 0.22 442.3634033 0.28 443.2201538 0.04 444.8071289 0.08 446.0473022 0.33 446.8791504 0.05 453.8899536 0.12 455.3557129 0.15 458.2548218 0.09 459.3130493 0.06 462.1756592 0.09 463.1808472 0.04 465.7795410 0.17 467.7206421 0.09 469.6295776 0.05 470.5083618 0.29 471.1969604 0.04 472.1122437 0.07 473.4010620 0.04 475.9653320 0.39 480.1577759 0.12 482.4745483 0.02 485.6223755 0.06 491.0541992 0.21 492.1697388 0.29 494.7648926 0.23 496.3126221 0.08 500.5443726 0.04 501.2093506 0.15 502.2200317 0.15 503.4819946 0.03 505.2863770 0.04 509.0645142 0.20 512.1068726 0.06 515.2487793 0.07 516.2399292 0.60 517.5036621 0.07 520.9719238 0.09 521.9286499 0.11 524.6270752 0.08 525.6444702 0.16 526.5521240 0.27 527.1727905 0.11 531.9858398 0.20 539.2886353 0.54 540.2654419 0.19 542.1918335 0.13 543.7449951 0.07 545.8922729 0.34 547.6828003 0.08 548.4761353 0.13 552.4491577 0.12 555.2267456 0.07 557.2625122 3.40 558.2239990 0.81 559.2422485 0.07 561.8607788 0.23 562.4829712 0.06 564.0166626 0.34 564.7277832 0.09 565.9146729 0.40 567.4030762 0.24 569.5548096 0.13 583.7811890 0.07 586.4515991 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 343.0587 Annotation Unknow Peak:m/z Relative Intensity 101.8911819 0.10 113.0292664 0.36 114.0927353 0.08 114.9603424 0.27 118.8713074 0.14 129.0964661 0.09 129.9939423 5.79 131.9350281 0.06 135.0709534 0.08 142.9898224 0.08 156.9138794 0.68 159.0891418 0.30 162.2477875 0.05 163.1535950 0.11 171.1135864 0.88 174.9718628 20.31 177.1495819 0.09 178.9341125 0.35 180.0046082 0.55 180.9383850 0.35 183.0935059 0.19 189.0700226 0.78 199.2337494 0.35 201.0851440 0.24 207.1272736 2.14 211.1359558 1.85 217.0583191 0.21 219.5761414 0.13 220.2324524 0.13 221.2427673 0.18 225.0779114 0.14 227.0288086 0.11 229.0008545 0.32 231.0101013 0.22 235.1846924 0.37 237.5233154 0.13 245.2406616 0.55 247.0621948 18.89 252.9950867 0.17 255.1544189 0.51 256.2828369 0.13 262.5244141 0.15 263.1388245 0.90 271.2308350 0.14 278.8859558 0.47 281.1142883 0.15 289.1007690 2.28 297.2178040 1.98 298.3048706 1.92 299.2564392 1.57 301.2441406 0.16 306.9775696 100.00 314.2435303 0.13 315.2210999 0.45 324.2574158 0.75 325.2353210 1.09 328.1307068 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 765.2375 Annotation Unknow Peak:m/z Relative Intensity 214.9446259 0.07 216.0289764 0.03 231.0714417 0.76 238.6530151 0.02 249.0957031 0.69 250.1481934 0.20 254.1168365 0.19 256.5968018 0.08 257.3022461 0.06 272.1216431 0.06 287.0805664 0.47 291.2325745 0.14 302.9510803 0.04 317.2722778 1.44 318.3611450 0.05 321.1004639 0.04 333.0640869 0.16 341.2540894 1.82 342.2469482 0.15 351.0767822 0.49 351.9647522 0.03 359.2570801 0.70 360.4385986 0.03 367.3724976 0.04 377.1561279 10.93 378.2108154 2.56 383.1513672 0.03 389.5783081 0.09 393.2391968 0.52 407.3729858 0.03 411.1672363 5.52 412.1721802 0.84 423.0875244 0.31 424.2334595 0.08 441.0620117 0.66 442.3948364 0.22 444.1768799 0.08 449.4055176 0.07 478.9240723 0.09 492.2883301 0.05 503.4674683 0.26 508.7271729 0.05 513.0366211 0.29 516.5793457 0.11 521.3084717 0.50 539.2508545 76.33 540.3170776 15.28 543.1909790 1.00 544.1160889 0.34 549.3657837 0.04 555.1588745 0.20 556.6347046 0.23 560.0394897 0.07 566.4462280 0.06 567.3493042 0.20 568.4039917 0.04 571.1730347 0.04 573.2172241 100.00 574.2051392 17.73 574.8619995 0.02 585.1124268 0.33 589.3895874 0.07 601.7125854 0.11 603.1572266 10.52 604.1975708 3.08 618.2791138 0.05 620.2466431 0.08 636.4749146 0.13 643.3721313 0.04 644.2388306 0.18 645.3699341 0.04 647.5321655 0.22 649.5421143 0.10 650.5757446 0.06 658.3551636 0.14 659.3887939 0.05 675.4594727 0.06 676.2870483 0.09 677.2841187 0.04 685.1199341 0.05 688.6635132 0.03 693.5852661 0.09 698.2449341 0.03 700.5010376 0.19 704.1523438 0.32 705.2300415 0.15 721.5415649 0.09 722.2771606 0.11 723.5207520 0.08 725.1196899 0.07 727.2666626 0.07 730.1851196 0.10 731.8226929 0.12 732.5271606 0.08 734.3611450 0.19 735.2770386 0.21 736.8170776 0.10 743.9945679 0.59 745.2733765 0.11 746.5993042 0.24 747.5277710 0.44 748.4025269 0.50 750.2813110 0.02 750.9817505 0.09 756.9271851 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 735.17 Annotation Unknow Peak:m/z Relative Intensity 210.1432648 0.14 211.3277283 0.06 220.6650696 0.29 229.1027832 0.29 244.3185120 0.21 245.1711121 0.06 247.0218506 0.78 253.3195343 0.10 260.9544678 0.06 263.3189697 0.03 271.1420898 0.44 289.0455017 1.85 300.9938354 0.26 305.1403809 1.02 306.1596375 0.04 319.0784302 0.06 323.1718445 1.20 331.0707703 0.30 341.2930908 4.84 347.1422424 0.11 348.1864014 0.05 357.2246094 6.80 365.1487427 1.11 373.2548218 0.05 374.9602051 0.06 377.1850586 0.30 379.3807373 0.08 383.1903076 0.40 385.3280640 0.16 391.3672485 0.03 397.3660889 0.02 399.4692383 0.07 404.2748413 0.08 409.1464233 100.00 409.7687988 0.14 423.4571533 0.04 426.7179565 0.08 429.1726074 0.35 445.1641235 0.20 449.2070312 0.04 451.4306030 0.09 457.4782104 0.18 464.9864502 0.23 468.2732544 0.16 470.1535034 0.08 474.3706055 0.28 476.7302246 0.18 477.5406494 0.28 499.1434937 0.06 535.4550171 0.04 537.0728760 0.33 561.1483154 0.29 571.1111450 0.46 572.5051270 0.66 573.2988281 1.83 585.3557739 0.20 589.3060913 0.06 590.3089600 0.16 606.2209473 0.08 620.0964966 0.06 633.5800781 0.04 634.8305054 0.07 660.6406250 0.09 669.8800659 0.35 690.3953247 0.25 696.0688477 0.08 699.1881714 8.89 700.3010864 0.17 702.0600586 0.45 703.2001343 0.05 704.5767212 0.49 705.9532471 0.10 716.5329590 1.47 717.6028442 0.57 725.6618042 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 498.1546 Annotation Unknow Peak:m/z Relative Intensity 140.7104187 0.04 142.9774628 0.29 144.1719055 0.02 146.0722656 0.14 148.8376007 0.04 157.0750427 0.08 159.9198303 0.23 167.1396484 0.04 171.1676331 0.11 177.0057983 0.22 179.0508270 0.47 180.9480591 0.16 185.0420227 0.05 191.7176208 0.03 196.8840332 0.03 207.0284882 0.21 210.1878052 0.70 213.1937103 0.04 236.2176666 0.10 242.4660187 0.11 254.1786194 4.28 272.1871338 4.51 273.0999451 0.04 288.1119385 4.16 291.1336365 0.14 302.3796997 0.71 306.1268921 100.00 316.5048828 0.05 319.8064270 0.11 334.0436096 0.16 335.2362976 1.01 336.2399597 0.37 341.1407471 0.06 350.3987427 0.05 353.3081665 0.11 368.9335022 0.08 377.0912170 0.13 383.3189697 0.05 389.7792664 0.05 424.7699890 0.04 437.4495239 0.10 446.4497986 0.02 454.2767944 0.45 462.3394775 0.29 468.5232544 0.06 471.0550842 0.03 476.6267700 0.06 480.1051636 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 939.475 Annotation Cleistetroside 2 Peak:m/z Relative Intensity 269.0029602 0.07 271.8453674 0.14 280.2363281 0.36 282.7641907 0.16 283.3673096 0.04 290.3062439 0.05 292.8613281 0.03 297.0108032 0.03 298.0968323 2.82 300.1714172 0.83 304.3756104 0.17 306.1045227 0.23 308.1342163 0.04 312.2320557 0.15 316.0642395 0.18 322.9726257 0.26 325.1580505 0.06 330.1601562 0.19 336.2117004 0.05 337.2922974 0.30 338.2047424 0.72 343.3998413 0.14 346.1956177 0.04 351.0806274 1.71 353.2013550 0.14 354.8694458 0.38 362.9427185 0.19 365.2490845 0.43 369.2749023 5.02 377.0609131 0.20 378.2500000 0.19 379.1209106 0.45 383.2757263 1.92 386.4381714 0.40 387.3701782 0.14 393.3422241 0.03 394.2399902 0.34 395.2797852 0.33 397.1580505 0.10 398.2419434 0.15 401.1029663 0.26 407.3445740 0.31 408.5798950 0.10 409.2998657 0.04 410.0942383 0.03 411.1104126 0.95 412.2398987 0.24 417.0408936 0.26 419.1871338 0.09 422.2250977 2.24 424.5098267 0.06 425.2545166 0.15 426.2526855 0.11 427.0217285 0.17 427.6323242 0.19 429.2520752 2.55 433.9694214 0.20 435.1594849 0.28 436.2387695 0.09 440.3433228 2.88 444.2889404 0.04 450.5340576 0.11 452.3037720 0.87 454.1812744 1.70 455.2634277 0.15 462.3388672 0.35 464.3123169 0.15 468.2896729 0.44 470.6765137 0.26 472.1856689 1.45 475.1345215 0.04 480.2011719 2.56 482.2559814 0.24 483.2383423 0.05 488.1879272 0.22 489.1499634 0.18 490.1998291 0.09 493.3263550 1.28 494.0775757 0.16 496.4248047 0.07 498.2817383 10.92 499.8784790 0.46 500.5646362 0.54 505.1967163 0.16 506.2082520 0.79 506.8897095 0.22 508.0733643 0.25 511.2994995 4.16 523.1928101 0.48 524.2601318 0.53 525.3840332 0.69 526.2399292 0.14 533.1373291 1.33 534.1384277 0.07 539.4788208 0.27 541.7770996 0.15 543.2405396 1.05 551.3228760 8.57 553.4404297 0.05 565.3941040 0.02 569.3272095 4.34 569.9299927 0.03 571.3368530 0.22 576.4467773 0.19 577.3904419 0.05 590.2118530 0.10 594.6541138 0.51 595.4102783 1.63 596.3756714 0.23 597.4929810 0.24 604.4365845 1.39 605.4805298 0.40 610.7157593 0.22 612.3573608 6.78 613.0223999 0.07 622.3445435 9.10 623.6480103 0.19 624.5473022 0.29 629.4209595 0.64 630.4916382 0.08 636.2554321 0.22 640.3367920 100.00 641.0062866 0.14 642.0943604 0.09 643.3140869 0.21 658.4942017 0.06 661.2595215 0.15 665.9979248 0.02 668.2801514 0.74 672.2789917 0.23 674.8945923 0.30 687.0715332 0.19 693.2777710 0.28 694.3596802 2.67 707.8698730 0.04 711.4583130 0.11 719.4273682 0.05 737.3273926 3.09 739.0862427 0.11 747.0905762 0.05 753.7448120 0.05 765.0531616 0.16 765.6693726 0.20 776.6258545 0.09 777.2985229 0.21 779.4818115 0.13 789.7627563 0.14 790.5740356 0.09 791.8264771 0.16 795.3976440 0.12 797.4365234 31.80 800.5018311 0.06 808.2183838 0.48 808.8252563 0.11 814.1640625 0.04 818.4091187 2.26 822.3920288 0.19 830.2044067 0.20 833.5323486 0.22 836.4100952 35.73 837.0927124 0.07 861.6059570 0.25 879.8858032 0.20 889.3526611 0.28 890.7565918 0.14 901.2680664 0.29 907.4760742 4.32 913.7312622 0.16 918.8550415 0.05 921.4290161 1.75 939.3035278 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 847.228 Annotation Unknow Peak:m/z Relative Intensity 241.0665131 0.05 242.0792847 0.06 265.0485535 0.04 305.0298157 0.09 306.3972778 0.22 347.1686096 0.49 351.1013184 0.16 360.9691162 0.04 365.1428223 0.44 366.2410583 0.56 379.2504272 0.16 384.9329224 0.09 398.3269043 0.12 426.2961426 0.14 452.9979858 0.06 470.3972778 0.13 482.1864014 0.33 491.3920898 0.18 498.2999268 0.06 499.1184082 0.13 510.4509277 0.04 517.3541260 0.20 523.1619873 0.31 527.1793823 0.11 541.2438965 0.94 542.0625000 0.29 545.2141724 0.10 559.3178101 0.17 565.4153442 0.12 569.5318604 0.51 570.4373169 0.11 583.1427612 1.14 583.8471680 0.02 587.2013550 3.15 588.2998657 1.01 601.3237305 3.77 602.2896118 0.59 611.1921997 2.22 612.1567383 1.20 625.3726807 1.20 626.4640503 0.41 629.2943726 20.47 630.3386841 4.87 643.1910400 10.54 644.1515503 2.19 653.2949829 0.52 655.2524414 0.10 667.2272339 0.06 668.2847290 0.21 671.2440796 46.22 672.2645874 13.07 685.1708374 6.72 686.1776733 1.59 745.2835693 1.78 746.1779785 0.54 763.2901001 5.69 764.2460327 3.06 783.9379272 0.12 787.2205200 11.68 788.3294067 5.52 794.0634155 0.22 805.2378540 100.00 806.3034058 38.04 829.9777222 0.08 832.2442627 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 302.21 Annotation DC 14 Peak:m/z Relative Intensity 103.5943604 0.03 111.6229858 0.04 119.9725876 0.04 128.9579163 0.06 131.9568176 0.03 138.2109070 0.04 139.9743500 0.22 146.1347351 0.36 152.9999695 0.02 156.0597687 0.15 157.1958160 0.05 159.1472473 0.04 162.2093506 0.08 164.0927734 0.11 164.9483490 0.04 171.1609192 1.47 172.0901794 0.10 173.0289001 0.07 174.1119690 0.12 175.1832581 0.03 182.0593262 0.06 185.2005005 4.09 186.2380371 0.10 187.2577667 0.13 188.0054321 0.67 189.1088867 1.03 191.1565399 0.06 193.3906250 0.02 199.0264282 25.69 203.1178894 0.16 204.1673584 0.02 205.9495239 0.07 209.1593323 0.05 211.0993652 0.15 213.0231934 100.00 214.3171997 0.10 215.2225952 0.17 216.0699158 0.18 218.9618530 0.09 220.9156189 0.19 223.6950684 0.09 227.0743713 0.34 236.1181030 0.18 237.9656677 0.21 238.8277588 0.05 240.1725769 0.05 241.9590759 0.11 243.3804016 0.03 245.2452393 0.03 245.9781494 0.02 247.0465698 0.09 248.0275879 0.07 248.8168640 0.07 255.7006836 0.17 256.3969116 0.19 257.3479004 0.43 258.2760010 0.01 259.3374634 0.04 260.3156738 0.04 262.9595947 0.09 266.3800354 0.27 270.0407104 0.47 271.9177856 0.07 272.5502930 0.12 274.2652893 0.22 275.4346313 0.28 279.1791382 0.02 281.8090820 0.18 284.0574951 0.91 285.5679932 0.67 287.5539551 0.18 290.6052246 0.22 292.6184998 0.40 293.4280701 1.04 294.2301331 0.13 295.6313171 0.46 297.3048096 0.31 302.5692749 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.0668 Annotation Decarbamoylgonyautoxin 1 Peak:m/z Relative Intensity 110.9720078 14.27 129.0282135 0.46 154.9682617 7.85 172.9133301 100.00 178.9347076 0.22 185.9226227 0.07 193.1400909 0.17 201.0985718 0.03 201.9080658 0.16 202.9672241 0.08 204.1950531 0.11 205.0618591 0.22 223.3654785 0.05 226.8875427 0.06 229.0994263 0.02 235.0693665 0.03 247.0935669 0.02 249.0665588 0.05 250.3253479 0.04 251.2642517 0.21 265.1939697 0.05 269.9036865 0.04 275.9610596 0.02 302.2813110 0.04 307.2015381 0.12 321.2378540 0.27 323.1072998 0.31 330.0487366 0.10 347.0573425 0.09 348.3416748 0.14 349.4169617 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 353.0514 Annotation 2-Caffeoylisocitrate Peak:m/z Relative Intensity 110.9975891 12.75 112.8896103 0.12 128.9846497 2.07 134.9920807 0.51 155.0314941 8.00 172.9508362 100.00 179.0476074 1.94 182.0941467 0.04 191.0612793 82.23 197.1881409 0.25 249.3941650 0.37 250.0827942 0.22 267.1029663 0.27 291.1354675 0.09 307.1143188 0.42 309.1420593 0.09 317.3273926 0.06 334.5298157 0.36 335.3269043 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 556.308 Annotation Unknow Peak:m/z Relative Intensity 161.1476898 0.07 166.8455200 0.08 181.0788116 0.03 183.0959015 6.54 184.1787262 0.28 189.2239075 0.06 191.1890259 0.05 197.8844604 0.16 199.8281250 0.06 208.0967560 0.19 209.2576752 0.16 211.0521851 14.36 212.1272278 0.10 217.1938934 0.57 225.1511230 0.24 226.1361694 1.05 228.1728210 0.13 235.0414276 0.06 243.1281891 7.97 244.4065399 0.07 248.8360748 0.04 257.3297729 0.17 262.3832703 0.10 263.1247253 0.06 264.0615845 0.09 271.2467957 0.25 282.2520752 0.26 284.5768433 0.21 302.1560059 0.05 305.3474731 0.52 311.3273926 0.05 314.1724854 100.00 314.7927246 0.74 322.2242432 0.25 323.1941528 1.09 328.8659668 0.13 339.5768433 0.55 340.3897705 3.90 342.4384766 0.17 350.0933838 0.18 355.8856201 0.04 360.0883179 0.32 363.2177734 0.17 373.0063477 0.04 377.3542480 0.08 381.4799194 0.07 384.1790161 0.15 385.4540405 0.61 391.6928711 0.26 393.3330688 0.26 397.2492676 1.13 398.2438965 0.49 408.3090820 0.45 409.3115845 0.13 410.5294800 0.04 418.1149902 0.17 419.1364136 0.47 422.3260498 0.21 425.2499390 1.80 426.7302856 0.94 428.2861328 0.18 433.0056763 0.31 436.1691284 11.55 436.8343506 0.04 442.1497803 0.47 445.2117310 0.22 446.3834229 0.21 450.1840210 0.19 453.2493286 49.69 454.1760864 0.24 456.5582886 0.55 457.4015503 0.20 459.1229858 0.18 462.2660522 0.10 463.6604614 0.03 464.5366821 0.15 469.3746948 0.11 477.1473389 0.19 478.2529297 0.03 479.5764160 0.06 483.6215820 0.08 488.0066528 0.19 489.2619019 0.13 490.0014038 0.66 490.9197388 0.18 491.6449585 0.14 493.5239868 0.25 495.6483765 0.17 497.0296021 0.10 501.7886963 0.16 503.2960815 0.29 505.2738037 0.09 506.0781860 0.08 507.1200562 1.02 510.5413208 0.26 511.1802368 0.03 512.1315918 0.12 513.3992920 0.15 517.7893677 0.42 519.9827271 0.11 521.2455444 2.13 522.3384399 4.54 523.3169556 0.21 524.4287720 3.10 527.6927490 0.12 530.7935181 0.16 535.1723022 0.31 538.2229614 3.59 539.3122559 13.72 540.1350098 0.04 541.9913940 0.16 544.5078125 0.25 546.3641968 0.33 547.2734985 1.54 548.0823364 0.12 569.9861450 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1401.6272 Annotation Unknow Peak:m/z Relative Intensity 427.5815735 0.02 446.8418274 0.07 467.1973877 1.00 469.3405151 0.02 471.5594177 0.31 499.3456116 0.12 513.6945801 0.03 527.4303589 0.08 541.5584717 0.06 561.6051025 0.16 567.6231689 0.03 585.4951782 1.13 586.5172729 0.04 603.5880737 0.38 611.8206177 0.09 621.3563232 0.03 627.7990723 0.10 639.5788574 0.04 641.5999756 0.04 645.5805664 0.26 647.8945923 0.02 649.3398438 0.15 649.9744873 0.02 657.4539185 0.03 667.6108398 0.05 669.5937500 0.06 680.8955078 0.02 683.4858398 0.32 687.6404419 0.07 693.7078857 0.04 694.6977539 0.03 699.3069458 0.07 703.4754639 0.05 711.5058594 3.56 712.6783447 0.10 723.6579590 0.03 729.6108398 0.97 747.5374756 1.58 748.7100830 0.07 753.4011230 0.83 754.7241821 0.10 765.6171875 0.17 771.4639893 1.40 789.4297485 3.56 790.2826538 0.14 790.8958130 0.15 807.4584961 1.36 808.1484985 0.06 813.8389893 0.17 825.6354980 0.10 831.4620361 7.76 832.2516479 0.24 849.4335938 11.67 850.3746338 0.41 873.4952393 5.69 874.3270264 0.04 891.4090576 45.70 892.3504639 1.14 931.8017578 0.04 933.3531494 100.00 934.4647217 2.40 975.6085205 0.14 1015.2083740 0.03 1017.0740970 0.04 1077.7001950 0.04 1197.2731930 0.08 1254.5146480 0.08 1256.9316410 0.62 1257.9282230 0.17 1264.1137700 0.02 1359.4155270 0.03 1401.8902590 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 924.4995 Annotation Unknow Peak:m/z Relative Intensity 261.2518921 1.04 268.4088135 0.16 269.2009277 0.28 279.5417786 0.10 283.0396118 0.12 296.2568054 0.67 298.4271545 0.10 300.3821411 0.15 324.4040833 0.46 333.3820496 0.14 337.1839600 1.12 351.0261841 0.52 365.3265991 7.01 367.0221863 0.37 371.5117188 0.11 379.3514404 0.48 382.1452026 0.04 383.5085449 0.19 397.4276123 0.72 407.0786133 0.14 415.4757690 0.19 419.4124756 0.49 436.2096558 1.58 448.4164429 0.11 457.3393555 28.09 464.3798218 11.98 468.5615234 0.22 474.5701904 0.32 478.3798218 0.13 481.7709961 0.39 482.5053101 0.63 484.8011475 0.18 496.3958130 2.39 519.4125366 0.38 522.4821167 0.16 528.6314087 0.58 532.3127441 0.06 535.3981323 0.69 545.1560059 0.06 547.3125000 1.07 560.3850098 0.11 563.5083008 0.32 565.3817139 1.20 567.4187012 0.33 575.4286499 0.07 593.6506348 0.38 595.4820557 2.83 596.3945312 0.29 606.7418823 0.38 607.5814209 0.38 618.3805542 0.93 622.5490112 0.13 623.4131470 0.07 625.4120483 100.00 629.4822998 0.20 636.5084229 2.22 641.6294556 0.25 646.4524536 2.02 656.7341309 0.40 658.3518066 0.30 664.4248047 33.59 666.3956909 0.24 668.0089722 0.48 674.5005493 0.62 690.4407349 0.09 692.4887085 0.39 702.0789795 0.24 717.2562256 0.19 724.4417114 4.93 727.5963745 0.07 732.5194092 0.13 735.6405029 1.66 740.3405762 0.10 741.3593140 0.62 745.4498901 0.80 747.1338501 0.45 758.6472778 0.78 761.9304810 0.29 763.4262695 34.85 769.6358643 0.39 785.2410278 0.26 786.5410156 0.41 789.7977295 0.17 790.7281494 0.13 793.6897583 0.06 802.9684448 0.07 807.5227051 0.26 812.1400146 0.33 822.9634399 0.20 825.4872437 0.24 827.2816772 0.49 832.9067383 0.38 834.9060059 0.24 836.3060913 0.19 838.7237549 0.33 839.9349365 0.35 843.5444946 0.46 848.0016479 0.11 852.7577515 0.31 853.5809326 0.64 855.5617676 0.43 857.6393433 0.14 862.4347534 0.21 863.1954346 0.16 872.7703247 0.28 873.8584595 0.31 876.6121826 0.41 879.6583252 1.88 880.7009888 0.16 883.1828003 1.23 886.6984253 0.48 888.2789307 0.08 892.5186157 2.05 896.0847778 0.79 906.4600220 3.14 908.0725708 0.40 909.2498779 1.18 913.5930786 0.20 920.7850952 0.29 923.8433228 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1291.5935 Annotation Unknow Peak:m/z Relative Intensity 351.0643616 0.06 395.1560974 0.04 467.2312927 0.57 469.5748901 0.07 485.1043091 0.07 487.4635315 0.08 499.5822754 0.02 529.5235596 0.02 544.8101807 0.01 599.2949829 0.02 601.4044189 0.06 613.3806763 0.02 619.5606689 0.62 620.5220947 0.02 625.7778320 0.01 643.5463867 0.01 661.5065918 0.31 662.5927124 0.04 671.2706299 0.01 672.5581055 0.02 675.5994873 0.03 685.4481201 0.02 701.5115967 0.01 715.2397461 0.02 727.7345581 0.04 745.8345947 0.13 746.5841064 0.08 763.5006104 5.00 764.6130371 0.58 781.5533447 8.91 782.5756836 0.58 805.5726318 0.66 823.4575806 100.00 824.5309448 9.59 847.5944824 0.02 865.4162598 0.43 866.6546631 0.08 905.4565430 0.17 906.5086670 0.06 907.6467285 0.03 967.5318604 0.06 985.3581543 0.02 1027.4575200 0.02 1090.1662600 0.12 1147.0506590 0.14 1148.1553960 0.04 1229.3764650 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 621.3592 Annotation Unknow Peak:m/z Relative Intensity 193.0615387 0.11 196.1488953 0.08 201.4785461 0.16 207.2903748 0.13 208.0443420 0.10 219.3206635 0.07 229.0907898 0.08 235.1845856 0.23 243.1800079 0.22 253.3443909 0.10 256.1068726 0.03 277.1337280 0.06 283.7845764 0.06 299.6082764 0.06 309.9967651 0.06 311.4096680 0.19 314.4172363 0.07 320.9727173 0.03 321.6929932 0.05 326.1710815 0.27 329.0856934 0.11 330.3946228 0.03 337.2977295 0.12 342.1593628 0.25 343.0445557 0.15 344.2368164 0.44 348.1381836 0.06 357.3500977 0.15 359.0073853 0.10 362.0569458 0.09 371.1644287 0.16 376.6646118 0.29 381.2834473 0.08 385.5917969 0.14 387.3180542 0.22 388.5344238 0.17 389.2124023 0.08 390.9509277 0.02 393.3149414 0.20 403.0510864 0.09 405.3687134 0.84 406.2999878 0.72 419.1807861 0.20 421.2264404 0.56 422.4248657 0.17 431.2351685 0.06 436.4349976 0.08 440.2321167 0.04 441.3862305 2.57 442.2564697 0.35 443.6531372 0.06 445.3132324 0.46 447.2938843 0.33 450.2718506 0.32 455.4695435 0.11 457.2576294 0.11 458.4951782 0.09 460.3754272 0.05 463.3377686 0.07 464.4427490 0.04 470.3519287 2.58 471.7207642 0.41 473.4045410 0.24 475.4909058 0.18 482.1996460 0.05 489.5371704 0.10 490.5339355 0.17 491.3306885 0.07 492.4934692 0.51 493.2306519 0.16 494.3093262 0.05 498.5191040 0.06 500.2266235 0.08 502.0886841 0.29 503.4458618 0.11 504.5114136 0.98 505.2102661 0.04 506.0260010 0.20 509.4891968 0.15 514.6548462 0.15 516.4301147 0.10 518.2500000 1.26 520.4307251 2.85 521.4868774 0.86 523.3251953 0.07 527.4139404 0.36 529.2190552 0.32 531.5241089 0.02 532.4413452 0.48 533.6655884 0.42 535.7128906 1.28 538.3428345 83.23 539.4010620 14.72 541.2557983 2.05 542.4212646 0.35 546.6422729 0.38 549.5254517 0.14 555.0505371 22.28 555.9312134 0.63 558.2244263 0.09 559.3297729 0.04 560.4777222 0.58 561.6220093 0.44 563.2899780 0.07 568.5963135 0.70 569.3755493 0.21 570.3452148 0.03 574.5353394 0.35 577.1749878 0.71 585.4763794 0.12 589.5726318 0.95 590.5730591 1.46 591.3447876 6.47 592.3523560 2.00 593.7234497 0.23 595.2506104 0.14 602.8511353 0.34 604.0615845 1.76 605.6535034 0.87 607.0611572 0.17 612.5862427 22.61 613.6084595 0.31 629.7864380 0.18 633.2910767 0.05 639.4524536 1.50 640.3800659 0.30 646.8713989 0.08 647.9877319 0.23 649.2395020 0.57 651.3695679 7.87 652.5352783 1.21 653.3117065 0.07 662.2656860 0.15 664.4302368 0.08 667.2586060 0.12 669.4919434 0.05 676.4981079 0.22 677.3650513 0.17 679.6471558 0.38 684.0977173 0.24 686.5240479 0.47 687.2673950 0.18 688.2531738 0.07 690.3084717 1.34 692.2767944 0.04 699.5792847 0.12 704.4347534 100.00 705.4276123 25.02 706.4381714 0.33 707.8593750 0.39 710.9848022 0.76 714.6873169 0.11 715.8598022 0.57 722.2457886 0.55 723.1228027 0.30 726.0980835 0.30 727.3311157 0.04 731.7328491 0.04 732.4676514 0.07 740.3991089 0.25 747.6622314 0.25 751.7500610 0.13 752.4171143 0.04 754.3326416 0.26 756.6017456 0.39 757.9733276 0.52 758.6091919 0.36 760.0604248 0.35 761.8223267 1.25 766.6463623 0.36 767.8936157 0.20 768.5197144 0.34 769.7915649 0.04 771.4473877 0.41 772.8133545 0.10 775.8296509 0.57 778.2569580 0.09 779.2285156 0.19 780.2182007 0.22 782.3136597 0.50 783.4790649 0.09 786.1312866 0.77 786.7761230 0.03 787.5744629 0.04 793.6444702 0.38 794.8430786 0.14 800.1956177 0.10 800.9291382 0.13 801.5825806 2.95 802.5048218 1.35 806.2964478 0.09 815.4879761 0.08 817.8870850 0.53 818.6513062 0.23 827.4343262 0.14 835.2023315 0.40 835.8159790 0.15 840.1101074 0.31 843.7899780 0.09 849.4945679 0.05 850.2232056 0.13 853.5651245 0.05 856.4191284 0.07 859.0615234 0.05 861.7738647 0.08 862.7749634 0.08 867.0115356 0.29 868.1005859 0.08 869.6217651 0.46 870.6179810 0.10 878.9251099 0.48 879.5945435 0.60 880.5546265 0.06 882.5869141 0.04 888.7578125 0.03 891.4299927 0.12 892.5421753 0.50 897.1879883 0.34 898.4646606 1.04 899.4722290 0.28 900.5540161 0.09 901.4119263 0.12 934.3727417 0.05 940.9163208 0.22 946.1300659 0.39 960.7157593 0.22 970.6823120 0.19 981.7037964 0.04 995.9580688 0.31 1000.4757690 0.15 1001.2656250 0.03 1006.3317870 0.05 1007.6708370 1.60 1008.6117550 0.80 1009.8880000 0.18 1016.2714840 0.05 1029.4365230 0.04 1035.5906980 0.14 1055.9256590 0.18 1078.7220460 0.06 1106.1813960 0.22 1108.5615230 4.54 1109.6750490 2.80 1111.4381100 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1375.6088 Annotation Unknow Peak:m/z Relative Intensity 397.2062073 0.01 423.2093506 0.02 425.1688232 0.02 441.6539917 0.08 448.9050903 0.02 467.3059692 0.46 487.3577881 0.14 515.5988770 0.02 529.6610107 0.02 583.7159424 0.04 587.6876221 0.02 593.3609619 0.03 601.1141357 0.14 601.7706299 0.07 619.5057373 0.40 620.5903931 0.02 643.2530518 0.06 644.5075073 0.03 655.5389404 0.08 659.5867920 0.08 661.4699097 0.23 665.3182373 0.04 667.9022217 0.11 683.8276978 0.06 699.4734497 0.23 701.6408691 0.01 709.8560181 0.04 715.5992432 0.13 719.2093506 0.04 725.5494385 0.05 727.4456177 1.48 728.0936279 0.02 737.4695435 0.01 738.6364746 0.03 739.6179199 0.01 745.5119019 0.59 746.2153320 0.03 761.5938110 0.03 763.5195923 2.65 764.3402100 0.03 769.6044922 0.23 770.5158691 0.01 779.1565552 0.03 781.5892334 0.66 787.5568237 0.81 788.2592163 0.01 805.4801025 9.00 806.1113281 0.13 806.7123413 0.07 823.5035400 8.28 824.4872437 0.17 825.1109619 0.03 829.2539062 0.06 837.7277832 0.03 847.4421387 8.11 848.1509399 0.03 848.7963867 0.03 863.3840332 0.02 865.4102173 40.04 866.4423218 0.64 877.5039062 0.01 907.3736572 100.00 908.3654785 2.21 931.6560059 0.03 947.3070068 0.08 948.9465332 0.05 949.6097412 0.26 961.5036621 0.02 987.0430908 0.01 989.7156982 0.05 991.4370117 0.08 1051.3837890 0.18 1052.6876220 0.02 1111.0222170 0.07 1153.6658940 0.02 1171.3214110 0.04 1178.3469240 0.02 1189.4841310 0.05 1213.5979000 0.27 1230.5358890 0.01 1231.4157710 0.14 1255.2849120 0.06 1331.5198970 0.03 1357.9097900 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 744.3736 Annotation Unknow Peak:m/z Relative Intensity 216.2074280 0.17 226.1852417 0.42 229.2380066 0.24 247.1557007 1.93 251.8810120 0.44 260.7973633 0.22 262.1119995 0.23 270.3031616 0.49 272.0032959 0.18 272.9161987 0.31 280.2084045 3.42 282.0599670 0.08 283.9073792 0.12 290.3229980 0.21 297.5113525 0.23 298.1630859 1.93 299.8901367 0.57 309.2533875 0.06 315.0417786 0.05 316.3103638 0.10 326.9220581 0.14 329.3563232 0.96 330.3202515 0.25 332.1319580 0.23 339.4166870 0.12 341.0722656 0.16 343.2908936 0.06 345.0082397 0.46 351.4138184 0.23 353.2487183 0.10 354.3705444 0.62 357.2973022 0.40 358.2932129 0.11 361.4956055 0.16 363.2271118 0.48 365.2412720 0.47 369.0485229 0.72 369.6982422 0.17 370.6304932 0.21 373.3487549 0.21 375.2384033 0.42 376.9773560 0.34 378.1486206 0.30 381.2317505 0.51 383.2102051 0.31 391.0490723 0.55 393.1646118 0.50 394.1364136 0.05 396.0840454 0.21 397.2015991 0.79 399.2558594 2.20 400.7995605 0.12 407.3930054 0.29 409.1918945 4.62 410.4114990 0.06 413.3447266 0.14 415.2426147 0.53 422.2709961 0.14 427.2875977 2.29 429.4599609 0.14 430.4019165 0.15 432.6187134 0.21 434.0084839 0.06 435.1893921 0.34 436.4252319 0.19 445.2730713 85.44 450.3037720 0.73 453.0562134 0.36 454.3461304 0.10 462.1033936 0.73 468.1869507 0.40 472.2763062 0.14 477.2745361 0.12 480.1735229 3.46 482.3853760 1.03 483.5561523 0.12 484.6544189 0.09 491.6956177 0.14 496.3248901 0.10 498.2367554 3.15 499.3024902 0.06 500.4320679 0.12 502.3526611 0.19 502.9674683 0.15 503.9243774 0.80 506.4212036 0.13 507.9920044 0.16 509.3286743 0.37 510.4793701 0.15 512.4421387 0.26 520.9871216 1.61 522.0083008 2.44 528.4233398 0.12 533.4101562 0.45 538.5718384 0.96 539.3976440 0.52 540.0617065 1.45 541.0095215 0.09 542.3358154 0.31 543.6288452 0.13 544.3942261 0.05 549.3457031 0.17 551.3384399 2.28 553.1552124 1.75 553.8380737 0.03 556.3579712 1.03 560.0077515 0.88 561.1449585 2.78 562.2647095 0.12 563.7941284 0.06 566.9613647 0.11 569.3620605 3.91 574.3267822 8.91 575.6249390 0.06 579.2905273 34.09 579.9290161 0.15 582.2366333 0.09 594.5717773 0.50 597.3417358 100.00 609.6295776 0.49 615.3814087 0.39 621.8836060 0.04 623.1364136 0.47 627.5190430 0.25 628.5881958 0.09 636.1754761 0.13 643.5004883 0.51 644.4085693 0.48 651.8952637 0.30 656.7083130 0.10 663.5136719 0.11 664.9750977 0.05 669.5562744 0.37 670.5797729 0.40 677.3717651 0.18 683.8598022 0.06 685.6461792 0.13 687.9829102 0.43 690.2752075 0.27 694.3272095 1.09 695.2216187 0.61 697.9645386 0.12 699.7597656 0.53 708.1860962 0.72 709.1833496 0.24 713.0119019 0.12 714.1795654 0.40 721.5656128 0.29 722.6254272 0.38 724.5942383 0.11 726.3696899 11.12 732.0590210 0.11 734.7925415 0.73 735.6894531 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 630.3071 Annotation Unknow Peak:m/z Relative Intensity 178.0549164 0.05 183.1697693 0.13 205.0152893 0.11 208.0235291 0.05 213.1218109 0.12 214.0697327 0.45 215.1073914 0.08 216.0467224 0.08 226.3543243 0.49 227.2059784 0.06 228.9846497 0.24 243.1225891 0.40 244.1658630 0.14 247.1414185 1.47 248.2113495 0.87 252.9694519 0.07 259.1104126 0.71 265.3286438 0.29 266.1496887 0.18 266.8987427 0.06 267.9866638 0.05 270.8591919 0.27 273.1125793 0.10 283.0795898 0.33 288.8637085 0.17 291.2365723 0.10 295.0355835 0.14 296.3541870 0.13 300.1810303 0.06 308.3826294 0.20 312.0238037 0.18 313.7448120 0.12 315.2178650 0.11 316.3626709 0.04 324.1793823 0.92 325.1338806 0.29 331.5321045 0.20 332.2189941 0.11 340.1113281 0.15 342.0380249 1.25 352.9937134 0.13 355.0360107 0.07 356.0405273 0.24 358.0832520 0.44 360.0809937 1.27 360.9938354 0.16 363.4660645 0.13 364.2551880 0.15 368.2494507 0.12 370.1902466 0.11 372.2776489 0.58 373.3380737 0.08 376.1732788 0.12 381.2564087 0.73 382.2283325 0.41 383.2614136 0.21 385.3630981 0.08 386.2875366 0.15 388.3082275 0.25 389.3887329 0.10 396.8222656 0.09 397.4752197 0.07 399.3026123 0.63 400.5437622 0.26 403.2684937 0.20 408.2022705 0.03 410.1875610 0.27 411.1326294 0.43 412.4618530 0.10 417.3218994 0.54 423.5759277 0.32 424.5862427 0.11 425.2847900 0.14 426.7322388 0.27 428.0496826 1.58 429.3256226 0.10 430.2793579 0.11 433.9147339 0.32 435.5420532 0.10 438.6485596 0.07 439.3767700 0.26 441.4958496 0.45 442.8411865 0.30 443.4514771 0.22 444.3870239 0.20 445.2243042 0.05 446.1843262 0.09 448.3199463 0.21 453.0044556 0.24 456.6221924 0.19 459.3627319 1.66 466.9758301 0.31 467.9858398 0.04 469.3203735 0.09 470.0671387 0.07 471.4044189 1.08 472.4938354 0.05 474.2105713 0.06 475.9595947 0.50 476.6956787 0.17 478.8262329 0.42 480.2070312 0.20 483.6474609 1.00 484.4353638 0.10 485.4861450 0.36 486.4002686 0.26 489.5362549 0.70 490.4404297 0.09 491.5197144 1.11 492.3193359 0.62 493.3679810 0.54 498.3046265 3.87 499.2603760 1.33 500.2606201 0.70 502.0463257 0.47 502.6530151 0.06 504.2152710 0.09 505.3301392 1.43 507.2894897 3.19 507.9010620 2.23 509.1397705 0.28 510.4790649 0.13 513.4080200 0.78 515.2322998 0.42 516.5093384 1.10 517.3651733 0.26 518.4259033 0.19 522.4265747 0.12 525.2304688 0.89 526.3903198 0.52 528.4277954 0.69 529.8245850 0.95 530.8635254 0.07 531.5119019 0.06 533.1279907 0.07 533.8426514 2.00 534.5065308 2.75 536.1738892 0.26 539.0150146 14.20 539.9583130 0.97 541.0761108 0.31 542.8975220 20.16 543.7612915 6.87 544.5897827 0.07 545.2533569 0.19 548.0153198 42.94 549.1011963 1.35 550.0404663 0.60 551.1992798 0.20 553.3396606 0.10 555.2848511 0.65 557.0391235 100.00 558.1963501 6.78 559.0646362 0.57 560.3299561 0.26 561.0191040 0.23 561.7102661 0.17 562.4696655 0.30 563.2302856 0.21 564.3259277 0.21 565.0584717 0.12 567.1438599 0.23 569.3934937 0.08 570.3539429 0.21 571.4589233 0.17 572.3624268 0.57 573.1399536 0.08 579.5332031 0.20 582.4810181 0.17 583.3367310 0.05 583.9602051 0.08 585.5243530 0.57 586.4492188 0.11 588.7608032 0.56 591.4894409 0.43 592.6124878 0.15 595.8948364 0.55 597.3851318 1.77 598.2672119 0.47 599.4862061 0.23 600.4641113 0.28 601.0671997 0.71 603.5031128 0.86 606.1852417 0.45 607.6225586 0.34 609.3178101 0.07 611.0178833 0.18 612.5888062 6.74 613.5189209 0.74 614.6072998 3.36 615.3157959 2.82 615.9497681 0.12 618.0505371 1.04 621.5109253 7.61 622.5253906 0.59 624.0330200 0.45 637.7100220 0.11 640.3518677 0.17 642.1271362 0.86 643.1408081 0.18 651.6597900 0.07 654.3605957 1.96 655.4876099 0.68 660.6467285 0.05 671.6777954 0.16 678.5874023 0.26 679.6477661 0.10 684.2553711 0.21 688.4535522 0.28 691.5929565 0.16 696.3903809 0.49 698.1692505 0.44 700.3318481 0.10 702.3023071 0.52 703.5639648 0.35 705.1378784 0.20 706.4946899 0.50 709.5231323 0.16 711.4744263 0.14 712.7675171 0.03 719.5477905 0.22 725.7476196 0.46 726.6534424 0.12 735.7349243 0.08 738.5782471 0.13 740.3378296 0.09 741.5073853 0.99 742.5369263 0.51 743.1998291 0.19 753.4601440 1.26 755.5382690 1.65 756.5405884 0.92 757.3776245 0.25 758.4708862 0.30 773.4610596 0.11 782.6040649 0.79 783.4017944 0.16 785.5567017 0.47 788.1842041 0.45 790.0277710 0.17 795.2926636 0.38 798.4443359 0.28 801.2984009 0.16 803.6401978 0.17 810.6764526 0.15 812.3291626 0.13 813.5815430 0.39 821.6878662 0.10 828.6991577 0.22 830.2877197 0.46 831.3604126 0.06 832.6170044 0.49 836.9215088 0.38 837.7805176 0.39 841.0499878 0.62 843.4963989 2.20 844.7420044 0.87 852.5187378 0.23 853.5219727 0.20 854.3468628 0.48 855.7420044 0.05 866.3671875 0.06 867.4794922 0.26 868.5783691 0.14 869.2949219 0.33 870.5065308 0.27 871.4475098 0.04 873.3308105 0.25 876.1365356 0.22 881.8522949 0.49 882.5272827 0.27 884.5370483 4.05 885.5549927 1.36 886.9870605 0.72 888.7098999 0.20 891.6059570 0.18 898.7710571 0.14 900.6248169 5.00 901.7151489 2.23 902.6140747 0.11 904.5292969 0.10 927.7377930 0.05 931.5437012 0.24 938.6908569 0.66 939.3908081 0.13 947.2903442 0.05 950.5452271 0.29 953.4973755 0.06 964.8998413 0.21 965.6547241 0.18 968.1096802 0.35 968.8012695 0.23 969.6409302 0.10 970.8676147 0.11 971.5598145 0.54 972.7309570 0.20 978.5891113 0.17 981.5140991 0.68 982.3167114 0.68 983.6448364 0.16 985.5646362 0.21 995.5419922 0.42 996.8305054 0.12 997.8004761 0.17 999.4267578 0.39 1000.4768680 0.48 1013.5333860 13.94 1014.5368040 5.54 1015.4977420 1.12 1026.0358890 0.29 1028.7110600 0.29 1029.5809330 0.52 1041.7580570 0.09 1059.6525880 0.07 1065.4432370 0.12 1080.4205320 0.08 1094.5804440 0.37 1095.6950680 0.17 1098.5541990 0.07 1099.4873050 0.07 1112.0688480 0.66 1112.7067870 6.07 1113.6003420 3.31 1114.8085940 0.48 1126.6259770 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 574.1533 Annotation Unknow Peak:m/z Relative Intensity 167.1551666 0.16 171.3632355 0.03 177.1013184 0.06 179.0164490 1.53 185.1432190 0.07 187.1425476 0.23 192.3030548 0.03 209.9560089 1.02 212.8926697 0.10 227.4177246 0.06 228.1245422 0.04 233.8108215 0.06 236.1884003 0.03 242.2719727 0.03 246.1954651 0.02 249.1729431 0.09 254.1622925 5.39 254.9722900 0.06 260.3952637 0.04 272.1694031 4.97 277.1558228 0.08 285.1939392 0.12 288.1616821 2.46 306.1094360 100.00 307.9088745 0.16 325.0131836 0.03 326.5270996 0.04 334.2532959 0.08 335.7947388 0.04 341.4812622 0.08 345.7598877 0.04 360.6195679 0.03 365.1763916 0.15 366.3976440 0.18 375.1669922 0.05 380.3653564 0.26 381.2299805 0.03 382.1693115 0.03 383.2105103 0.03 387.1531982 0.05 396.9015503 0.07 408.3181152 0.03 409.0046997 0.07 410.7465210 0.10 411.4093018 0.23 422.1035156 0.03 427.2793579 0.05 429.5140381 0.13 430.4528198 0.10 438.2026367 0.05 444.1904907 0.05 445.0587158 0.12 446.8026123 0.10 453.2564087 0.07 454.0385742 0.31 459.1030884 0.16 469.4754639 0.12 481.0795898 0.42 483.9925537 0.05 487.0580444 0.11 494.4622192 0.03 510.6665039 0.11 511.3704224 0.10 512.2145996 0.26 514.4371338 0.05 523.4739380 0.05 526.2830200 0.34 527.3323364 0.42 528.4931641 0.20 529.2946167 0.15 530.3417358 0.55 537.3040771 0.04 538.3781128 0.27 541.4624023 0.04 543.4074707 0.16 555.2112427 0.27 556.1929932 0.57 558.8414917 0.02 564.5222168 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 500.9198 Annotation Unknow Peak:m/z Relative Intensity 158.9397583 3.05 199.2835083 0.39 216.9785461 0.15 229.0801392 0.27 238.4542847 0.13 273.0440979 47.23 387.0144653 100.00 427.1188049 0.30 454.8962708 0.07 470.8607788 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1613 Annotation Unknow Peak:m/z Relative Intensity 161.1382599 0.12 164.6538696 0.03 167.0252075 0.05 179.1618652 0.05 182.1677094 0.42 189.0555115 0.02 195.6796722 0.17 197.0269775 4.07 198.0820312 0.06 207.0249329 0.23 211.1428986 0.25 212.2258453 0.01 227.2319336 0.02 239.0195007 0.68 240.2785339 0.14 269.1444092 0.44 272.4156494 0.03 285.0785522 0.05 286.0148315 0.05 293.1882629 0.06 299.0078125 0.17 300.2245789 0.06 306.2792969 0.02 322.4070435 0.04 335.4020996 0.02 343.1879272 100.00 344.2722168 7.05 345.1196899 0.13 353.0493164 0.11 359.1995239 7.60 360.2039795 0.62 361.5576782 0.03 366.1491699 0.02 371.2485962 0.53 373.7393188 0.11 377.2161255 0.03 383.8085938 0.17 384.6791992 0.21 385.4403076 0.09 388.4883423 0.16 389.1467285 0.19 390.4851685 0.04 401.1254272 0.04 408.8605957 0.13 413.6000366 0.05 416.0721436 0.02 431.0408325 0.05 432.5169678 0.03 436.4135742 0.07 438.2431030 0.02 438.9927979 0.05 443.1579590 0.13 443.9801025 0.03 444.7507324 0.34 446.4006958 0.06 450.2175903 0.02 454.1691284 0.04 456.4100342 0.01 465.6707153 0.05 466.4719238 0.07 472.0465088 0.02 477.8614502 0.02 486.8605957 0.06 487.9096069 0.08 488.8715210 0.03 491.1353760 0.04 497.5087280 0.11 504.8532104 67.14 505.8697510 6.00 506.5229492 0.22 507.2571411 0.01 515.5947876 0.02 518.2879028 0.06 519.6019897 0.05 520.9918823 0.20 523.3886719 0.02 533.3280029 0.11 534.4536743 0.03 540.2971802 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 573.1755 Annotation Unknow Peak:m/z Relative Intensity 171.1946869 0.44 173.1712952 0.03 179.0738220 0.20 179.9315796 0.12 189.2614441 0.05 195.1162872 1.82 197.2105865 0.06 204.4783478 0.10 209.9930420 0.05 214.8809509 0.79 215.5071869 0.04 224.3005066 0.05 231.0597534 0.48 236.8238373 0.05 241.5560608 0.03 243.3590698 0.05 245.1966400 0.05 249.1132050 1.35 254.2390442 0.20 256.9379272 0.03 259.4363098 0.04 272.3889771 0.10 281.4082031 0.13 282.1107788 2.34 295.0127563 0.03 298.3690796 0.04 299.4176331 0.12 303.2250366 0.07 306.2891235 1.75 307.2338867 0.20 312.9883728 0.03 320.4094238 0.03 322.2379761 0.03 324.2778931 0.06 325.4040527 0.04 329.2749634 0.03 330.3760986 0.07 334.1442261 0.15 341.2509766 0.06 341.9990845 0.04 343.1939697 0.03 344.2620850 0.02 346.3715820 0.02 352.2930298 0.03 357.2833252 2.37 362.1533203 0.06 369.4374390 0.03 375.3377075 0.05 380.4906616 0.05 389.3291626 0.05 393.3660278 0.20 398.2435913 0.04 399.0633545 0.15 408.6857300 0.02 409.4268799 0.18 411.1489258 1.67 413.2489624 0.35 427.3328857 0.07 430.5996094 0.08 438.3676758 0.05 440.5342407 0.10 442.1348267 0.07 444.1928101 100.00 452.8695679 0.05 455.4506226 0.03 456.3933105 0.16 457.4786987 0.31 458.4155884 0.16 462.3101196 0.07 465.3741455 0.02 466.2661133 0.13 479.4372559 0.10 480.5919189 0.03 481.2951660 0.03 482.9578857 0.03 485.0494995 0.10 495.2138672 0.02 498.6678467 0.03 504.3958740 0.20 507.4274292 0.04 510.9262695 0.28 513.5846558 0.02 519.1960449 0.03 521.4866333 0.09 527.0308228 0.54 528.2660522 0.36 529.3048706 0.39 535.5975952 0.05 536.5154419 0.17 537.2918701 1.24 538.3700562 0.07 539.5524292 0.06 541.3976440 0.46 542.4054565 0.21 552.4340210 0.07 555.2478638 25.52 556.5405884 0.03 563.3446655 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 718.2483 Annotation Unknow Peak:m/z Relative Intensity 210.1537933 0.37 211.2754517 0.05 219.0327454 0.03 220.9583588 0.02 223.0191803 0.02 228.4965057 0.09 229.1022339 0.03 229.9560242 0.07 231.1622925 0.09 236.0527954 0.04 241.3680725 0.05 248.8849487 0.04 252.1562042 0.11 254.1921692 2.38 255.1996765 0.16 270.0106506 0.08 272.1574097 2.65 273.2778015 0.13 274.4420471 0.02 279.2015991 0.02 286.1423035 0.05 288.2055359 4.70 289.1554565 0.25 296.4017639 0.08 306.1040649 62.14 307.2617493 4.93 313.9707642 0.02 330.4149170 0.05 332.1804810 0.03 348.2978516 0.69 351.2954102 0.02 355.3088989 0.16 357.1118774 0.29 358.0347290 0.25 359.0939941 0.03 359.9007568 0.11 360.5183716 0.05 370.6304932 0.08 375.0232544 0.08 378.0545654 0.37 383.1029053 0.08 384.1824341 0.26 384.9678345 0.02 390.1280518 0.09 400.4151001 0.03 401.2976074 0.06 407.3695068 0.02 408.3217163 1.13 409.1566162 0.32 411.1676025 0.04 413.4118042 0.03 414.5065918 0.03 424.5095215 0.12 425.1843872 0.03 427.4345703 0.03 433.0421143 0.06 434.3059082 0.16 440.6170654 0.09 441.5090332 0.08 442.2121582 0.02 450.3243408 0.43 451.2188721 0.10 452.1497192 0.03 456.1919556 0.07 459.3412476 0.05 462.2663574 0.06 468.1787720 100.00 469.3071899 9.20 470.3595581 0.37 471.2754517 0.08 501.9818115 0.07 505.2233276 0.03 508.3667603 0.14 511.1917114 0.04 513.4106445 0.07 519.0562134 0.05 520.0839844 0.40 521.1406860 0.13 524.3580933 0.04 534.5580444 0.06 537.3432617 0.03 538.1478882 0.14 539.0895386 0.06 540.1463013 0.05 542.3973999 0.03 552.0878906 0.06 553.7607422 0.08 556.1316528 27.73 557.2626343 3.61 575.5196533 0.93 589.6119995 0.03 596.4456177 0.03 598.0975342 0.12 599.2061157 0.05 609.3150635 0.06 613.4451294 0.02 620.3035889 0.07 628.4922485 0.09 630.2805786 0.07 637.3081055 0.06 639.1530151 0.08 645.3774414 0.16 658.0518799 0.25 659.5801392 0.13 671.5321655 0.13 673.2952271 0.25 674.6725464 0.24 675.4370728 0.11 676.4942627 0.02 682.4769897 0.19 684.0197144 0.06 685.6321411 0.13 687.0514526 0.06 687.6795044 0.03 688.6683350 0.02 696.3995361 0.10 697.6549683 0.06 700.3067627 0.45 701.2409058 0.82 702.5673218 0.20 703.6580811 0.16 709.8861084 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 474.1533 Annotation Unknow Peak:m/z Relative Intensity 143.5091400 0.79 144.1705017 0.31 147.1890564 0.02 148.9819794 2.14 150.9409485 0.04 158.0623779 0.32 161.9390564 11.02 167.0257874 1.07 169.0968170 0.09 172.0468140 0.13 175.0144043 0.29 177.0462189 0.32 179.0383148 43.56 180.1241760 8.14 182.1530151 0.05 195.0491638 0.09 196.7802734 0.08 203.1735535 0.11 206.9258423 0.35 211.0724487 0.17 218.3506927 0.19 223.2969055 0.10 224.9408264 0.11 230.2596741 0.14 231.2117615 0.07 233.0767212 1.34 236.8774719 0.07 242.0086975 5.64 245.3448029 0.24 247.1465149 0.24 248.0890808 0.31 251.1628723 0.42 254.8804016 0.33 256.2604065 0.22 260.0567017 0.29 261.1524963 0.08 263.3066406 0.35 268.4868774 0.07 270.1269836 0.33 272.1872253 1.06 272.9079285 0.20 274.1549377 1.68 275.8953857 0.22 277.2510376 0.06 280.1812439 0.17 281.9773865 0.14 283.9269104 0.07 285.3832397 0.07 290.1093445 1.85 291.2949829 0.60 294.2401733 0.18 295.1679382 0.06 296.2283936 0.78 297.1260376 1.18 300.1719360 0.37 301.9617920 0.16 303.2839966 0.41 304.3714600 0.13 308.0834045 100.00 308.8209229 0.37 309.9226685 0.07 311.1023560 0.07 312.1843872 0.50 313.2088623 0.06 316.2804565 1.21 317.2809448 0.23 320.4207153 0.19 324.0807800 0.12 325.3099976 0.49 327.3965454 0.75 328.4962158 0.14 330.3676758 0.29 339.3502197 0.09 341.1609802 0.31 342.2040405 4.47 345.1456909 61.23 350.3607788 0.22 351.4157104 0.05 353.2255249 0.68 355.3706970 0.08 357.3918457 0.64 358.2582397 0.22 359.3321533 0.45 360.2182617 0.08 361.4031372 0.20 362.7346191 0.48 367.1403809 0.41 369.4486389 0.15 371.1658325 0.84 374.1488647 0.15 375.1507874 0.26 378.0833435 1.16 380.7947083 0.62 381.4675293 0.23 382.5870972 0.10 384.8725586 1.03 395.3441772 0.30 399.1910400 2.30 401.2463074 0.10 405.9097595 0.21 408.8760071 0.53 413.3388367 0.17 414.0635681 0.08 417.4359436 0.04 418.5226135 0.08 419.8909607 0.16 426.1414185 0.27 429.4690857 0.16 430.4974976 0.38 438.2188416 0.66 441.3836365 0.23 444.5429077 0.21 446.3639832 0.43 449.4748230 0.22 455.6095581 0.76 456.3448181 6.60 457.1589966 0.71 457.7935486 0.17 464.6347961 1.43 465.4559937 0.62 466.3760681 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1012.34 Annotation Unknow Peak:m/z Relative Intensity 287.2715759 0.21 317.0642395 0.10 325.6885681 0.10 328.3402710 0.04 342.1535950 0.21 347.2208862 0.10 350.5063477 0.09 352.1835938 0.17 379.0329590 0.07 383.4236450 0.14 391.4818726 0.08 401.1705933 0.10 408.9582520 0.24 409.7471313 0.14 417.7844238 0.22 425.4375305 0.13 443.6943970 0.29 444.5077209 0.30 452.7808838 0.21 458.2227173 0.17 460.3494263 0.13 461.3079834 0.16 469.3193054 0.19 472.4689331 0.55 473.3684692 0.19 481.1690674 0.15 504.4844055 0.14 510.4246521 0.07 512.2092896 0.05 513.3114624 0.18 517.2177124 0.09 521.4486084 0.37 530.1104126 0.16 535.6113281 0.13 536.4853516 0.45 538.7232666 0.09 544.7136230 0.59 551.5348511 0.16 552.3776855 0.11 556.3128662 0.07 559.5598145 0.14 562.4083252 1.78 567.5314941 0.17 571.2121582 0.17 572.3880005 0.31 573.2606201 0.15 573.9558105 0.15 587.5616455 0.46 602.3691406 0.42 606.3986816 0.23 608.4396973 0.20 616.4364014 0.27 623.2691040 0.22 625.4631348 0.29 633.0485229 0.18 636.4625244 0.46 641.5457764 0.46 647.8936157 0.24 665.3969116 0.22 687.2089844 0.16 689.6407471 0.14 690.2629395 0.28 692.6241455 0.09 695.3750610 0.15 696.2871094 0.15 700.6191406 0.07 704.4476929 0.15 717.4207764 0.29 721.8936157 0.10 729.5587769 0.30 730.5250244 0.59 731.2026367 0.38 739.3236084 0.06 753.5815430 0.18 756.6872559 0.10 782.3153076 0.16 784.7064209 0.24 794.5701904 0.35 795.5444336 0.14 801.2947998 0.16 809.8778076 0.07 812.5909424 0.11 818.6579590 1.53 844.4410400 0.38 845.7969971 0.06 848.3322754 0.52 849.6623535 0.14 851.7572021 0.54 852.7645264 0.14 854.6102295 0.21 859.4847412 0.24 884.5885010 0.19 886.4462891 0.21 891.9016113 0.31 908.6520996 0.07 920.1658936 0.26 945.6262207 0.22 963.6643066 1.82 965.5499268 0.19 966.8192139 1.63 969.8139648 0.17 970.9128418 0.25 974.3549805 0.76 975.3839111 1.48 976.1435547 0.35 977.0153809 0.33 977.6861572 3.25 978.6020508 0.09 979.9238281 1.03 980.8161621 1.05 983.5350342 0.28 988.3859863 1.54 990.0845947 1.26 990.9566650 1.39 991.6038818 0.10 993.4930420 3.78 994.2840576 0.20 995.7561035 2.85 996.6435547 1.00 997.8129883 0.36 998.4206543 0.89 1000.2441410 1.99 1001.0496830 0.50 1002.0545650 0.20 1002.8767090 0.77 1035.6359860 0.36 1040.1147460 1.20 1041.0473630 2.37 1044.3068850 0.85 1044.9663090 0.28 1055.5609130 0.14 1056.3444820 0.14 1057.4793700 0.08 1060.5244140 0.10 1062.2341310 0.94 1063.4315190 2.14 1070.1223140 1.62 1071.1337890 0.31 1072.7302250 0.32 1075.0867920 0.49 1076.2957760 0.59 1077.3847660 0.37 1079.0283200 0.39 1079.6710210 0.39 1080.4508060 0.22 1083.3964840 0.07 1084.5056150 1.49 1086.2990720 0.59 1087.2196040 3.10 1087.9263920 2.06 1089.2272950 0.24 1090.9405520 0.51 1092.1250000 1.32 1095.4704590 0.17 1096.1320800 0.52 1097.5151370 1.79 1098.2708740 0.21 1099.2940670 0.83 1100.4810790 0.15 1103.9282230 0.87 1105.5507810 0.50 1106.4899900 1.61 1110.0942380 0.60 1112.2099610 1.57 1114.9998780 0.44 1115.9423830 0.88 1116.5686040 1.21 1117.7685550 1.25 1119.0677490 0.68 1120.5438230 2.77 1121.3632810 0.23 1121.9646000 0.26 1123.8652340 0.64 1124.5136720 0.68 1126.1289060 0.21 1127.0532230 2.13 1128.0029300 0.95 1129.2160640 1.17 1131.1245120 1.48 1132.0295410 1.16 1133.1973880 0.93 1134.2724610 5.40 1135.4753420 4.44 1137.0454100 5.18 1137.9501950 6.82 1138.9173580 0.54 1140.3466800 30.49 1141.3389890 0.50 1143.2801510 100.00 1144.3227540 3.25 1145.2980960 5.55 1146.1492920 2.59 1147.3421630 4.60 1148.2044680 0.49 1148.9909670 0.90 1149.6036380 0.11 1151.1793210 0.82 1151.8981930 1.66 1152.6834720 2.33 1153.6340330 5.06 1155.0097660 2.80 1156.1389160 6.61 1156.8593750 2.34 1158.0811770 2.29 1159.3635250 34.45 1160.9902340 0.55 1161.8474120 2.57 1162.4575200 2.06 1163.9907230 2.86 1164.9782710 4.39 1165.8291020 0.86 1167.5770260 0.65 1168.7064210 12.41 1169.5427250 1.44 1171.3692630 0.17 1172.0050050 0.22 1172.6114500 1.07 1174.0061040 0.89 1176.2128910 0.68 1178.5073240 0.73 1179.5791020 0.98 1184.8940430 1.28 1185.5107420 0.03 1186.4188230 0.23 1188.6298830 0.17 1191.7163090 0.12 1193.2523190 1.00 1194.7861330 0.17 1195.6696780 0.80 1196.6024170 0.24 1197.4665530 1.13 1198.3059080 0.86 1199.3078610 0.53 1201.2739260 1.34 1202.6202390 0.16 1204.5030520 0.65 1207.0446780 1.21 1208.0744630 0.55 1210.3732910 0.34 1212.7708740 1.03 1213.9708250 0.99 1215.9942630 0.54 1217.6546630 0.52 1219.0142820 0.34 1220.8002930 0.63 1225.6776120 0.37 1227.6616210 0.66 1228.9056400 0.35 1230.4414060 0.53 1232.0161130 0.32 1232.7062990 1.26 1233.7094730 0.28 1235.4644780 0.46 1236.5832520 0.46 1239.4964600 0.46 1242.5009770 2.34 1243.3237300 0.65 1243.9863280 0.64 1245.0437010 1.51 1247.1584470 0.24 1247.8724370 0.10 1249.7207030 0.55 1251.9865720 0.57 1252.6262210 0.22 1253.9219970 0.13 1257.6608890 0.80 1259.1398930 2.29 1260.0441890 1.79 1261.9122310 0.12 1263.4376220 0.15 1265.2294920 0.21 1266.5826420 0.30 1268.7044680 1.19 1271.1306150 0.39 1274.8841550 0.87 1275.9650880 0.75 1280.7434080 1.40 1282.3566890 1.46 1283.1336670 0.67 1283.9023440 0.30 1284.8389890 1.12 1286.5239260 1.02 1288.0085450 0.18 1288.8443600 0.92 1289.9100340 2.62 1290.7702640 0.39 1291.3856200 0.45 1292.9772950 0.92 1294.3789060 2.00 1295.4888920 0.34 1296.8319090 1.14 1297.6876220 0.57 1298.7257080 1.36 1301.1076660 1.29 1302.6802980 0.55 1303.7030030 1.39 1304.6409910 1.22 1306.1917720 0.68 1308.8077390 1.58 1309.8568120 2.64 1310.6816410 1.04 1311.9044190 0.06 1313.4724120 0.04 1314.2413330 1.24 1316.1324460 4.23 1316.7860110 0.41 1317.3966060 0.43 1319.1809080 0.86 1320.3189700 3.05 1320.9781490 0.98 1322.0239260 1.31 1323.1770020 3.08 1324.0661620 1.76 1325.5974120 0.39 1326.6890870 7.71 1327.8306880 2.28 1328.7301030 1.21 1329.3801270 7.10 1330.1452640 0.97 1331.1809080 1.43 1331.9669190 0.72 1332.5706790 0.07 1333.8537600 1.37 1335.1212160 0.29 1336.3614500 1.03 1336.9671630 0.12 1337.8280030 3.38 1338.7093510 2.20 1340.2857670 1.70 1341.2985840 0.33 1342.2608640 1.84 1342.8735350 0.91 1344.7722170 2.85 1345.8834230 4.04 1346.7034910 0.13 1347.3220210 0.10 1348.0614010 0.99 1348.9083250 1.83 1350.1177980 0.07 1351.3099370 1.71 1352.3328860 1.66 1353.9947510 2.53 1354.6400150 0.53 1355.9752200 0.97 1357.0792240 4.62 1358.9930420 0.12 1359.6333010 0.94 1360.2857670 1.52 1361.1634520 0.24 1362.2712400 0.99 1363.1612550 0.62 1364.2674560 0.65 1365.3424070 1.30 1366.1447750 0.82 1367.5875240 1.06 1368.5187990 1.59 1369.4805910 0.47 1371.8216550 0.40 1372.7431640 0.92 1376.5313720 6.47 1377.3179930 3.86 1378.7817380 0.44 1380.1208500 0.24 1381.5856930 0.22 1390.8520510 0.80 1391.6019290 0.57 1397.6689450 0.17 1400.3043210 0.96 1400.9979250 0.19 1401.8034670 0.76 1404.9027100 0.49 1405.7261960 0.77 1413.1632080 0.05 1414.2720950 0.92 1416.6359860 0.63 1421.8074950 0.28 1424.0238040 1.94 1427.5322270 0.41 1429.9869380 0.66 1432.8447270 0.69 1434.3922120 0.06 1436.2584230 1.09 1437.9387210 0.13 1438.7835690 0.23 1440.0534670 0.89 1442.1387940 0.08 1443.7852780 0.40 1445.0885010 1.83 1445.9211430 1.84 1449.2806400 0.49 1450.6883540 0.69 1451.7493900 0.23 1460.0891110 0.56 1462.0777590 0.25 1465.7822270 0.12 1469.4876710 1.37 1471.3050540 0.80 1472.6390380 0.68 1475.7838130 1.11 1477.2941890 0.59 1478.7100830 1.02 1480.3183590 0.61 1487.7520750 0.46 1492.5955810 1.16 1493.4804690 0.79 1494.4062500 0.92 1496.3137210 0.48 1496.9724120 0.37 1497.9771730 0.78 1498.6956790 1.04 1499.6993410 0.53 1502.8668210 0.17 1503.8507080 0.24 1505.9390870 0.45 1509.8072510 2.21 1511.4681400 0.32 1512.5101320 0.69 1516.7708740 1.27 1518.0478520 0.14 1519.1459960 0.36 1520.5518800 0.67 1526.4608150 1.43 1530.1180420 0.36 1533.7895510 0.08 1534.7824710 0.13 1535.9393310 0.10 1537.8060300 0.34 1539.4128420 0.29 1542.3906250 0.45 1544.3740230 0.80 1547.2485350 0.20 1550.5592040 0.21 1553.8973390 0.44 1557.8854980 0.08 1558.9085690 0.77 1562.8564450 0.40 1563.6878660 0.58 1567.7515870 0.45 1577.7081300 0.63 1586.4749760 0.06 1587.1395260 0.18 1589.3294680 0.46 1590.8464360 1.09 1592.0797120 0.08 1592.9923100 0.43 1595.7906490 0.27 1597.5446780 0.34 1601.4593510 0.09 1603.4223630 0.60 1604.5737300 0.40 1606.6336670 0.49 1622.2379150 0.07 1635.5804440 0.44 1638.8707280 0.21 1641.8366700 0.12 1649.7811280 0.25 1653.4050290 0.54 1654.0192870 0.44 1657.6575930 0.23 1660.3558350 0.81 1661.2038570 0.34 1665.7596440 0.09 1668.3737790 0.31 1669.4530030 0.44 1672.0090330 0.22 1673.1481930 0.11 1685.9807130 1.24 1688.8156740 0.62 1695.0694580 0.78 1696.7878420 0.06 1708.7332760 0.71 1714.1239010 0.26 1715.6414790 0.51 1718.7991940 0.43 1720.9641110 0.21 1722.5894780 0.59 1729.1490480 0.25 1734.4503170 0.11 1736.6057130 0.23 1739.6778560 0.10 1740.7447510 0.66 1742.7995610 0.35 1748.4764400 0.62 1750.1439210 0.42 1756.2178960 0.34 1756.8723140 0.59 1758.9071040 0.65 1764.8425290 0.22 1771.3785400 0.56 1772.4598390 0.24 1775.0863040 0.23 1777.9909670 0.27 1792.2326660 0.95 1793.8610840 0.12 1796.1629640 0.30 1798.5227050 0.48 1804.9737550 0.29 1810.6535640 0.57 1818.0921630 0.34 1823.5650630 0.11 1834.4920650 0.12 1844.0397950 0.28 1844.7868650 0.28 1864.7427980 0.12 1867.3957520 0.25 1873.6560060 0.10 1884.2423100 0.10 1886.6916500 0.28 1889.9045410 0.30 1901.0242920 0.45 1907.2977290 0.07 1926.7164310 0.23 1930.3021240 0.15 1956.6500240 0.17 1969.7437740 0.12 1971.9548340 0.14 1976.1090090 0.13 1989.8870850 0.16 1995.0736080 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 675.3492 Annotation Unknow Peak:m/z Relative Intensity 197.2704468 0.32 222.7374268 0.15 228.9965973 0.21 231.2179871 0.13 234.3687134 0.04 235.1204529 0.12 237.4742737 0.11 247.2206268 1.61 249.2087402 0.03 251.0590210 0.04 268.1173096 0.50 269.6209412 0.20 279.1170654 0.15 281.1174927 0.04 296.8243103 0.10 299.4501343 0.04 306.9039917 0.05 312.1333618 0.04 315.1567993 0.33 316.5596313 0.12 318.0361328 0.22 323.2860718 0.39 326.3502197 0.82 329.4804077 0.14 341.4366150 0.17 342.5615845 0.04 344.0263672 0.27 350.0356445 0.18 352.7791138 0.08 357.1449585 0.76 369.3173828 1.68 370.8550415 0.21 372.1433105 0.07 373.4959717 0.12 376.1812134 0.20 377.9243164 0.13 379.3218994 0.17 382.4849243 0.18 383.3801270 0.04 384.2549438 0.13 394.2538452 0.09 397.3699341 1.27 399.1310425 0.73 400.4987793 0.08 402.1013184 0.35 403.3128662 0.04 415.2743530 38.81 416.3131714 2.70 417.1729736 0.16 420.0803833 0.45 425.1867676 0.06 429.3131714 0.35 431.2178955 0.10 439.1661377 0.10 440.8220215 0.39 452.2780151 0.06 454.4967041 0.26 459.3047485 0.05 460.3468018 0.12 462.1298218 0.06 467.3945312 0.16 468.4204102 0.08 474.2933350 0.07 477.0924072 0.11 478.7886963 0.28 480.2104492 0.64 481.1704102 0.37 482.4460449 0.14 486.7720947 0.03 492.4822998 0.34 495.5649414 0.18 498.2432861 12.64 499.2582397 1.66 500.2510986 0.13 501.6908569 0.14 508.0457153 1.12 514.5380859 0.21 515.6983643 0.52 516.3991699 23.50 517.4785156 1.51 524.5110474 0.23 526.8883667 0.20 528.3622437 1.23 529.0491943 0.26 534.3424072 0.05 537.5162964 0.20 538.4463501 0.07 539.3847046 0.35 541.8201294 0.48 543.4303589 0.86 544.4291992 0.21 545.1442261 0.20 546.3607788 0.08 552.2597656 6.04 552.9810791 0.87 553.7607422 0.06 558.2598267 0.13 560.2473145 0.20 562.3374634 0.43 566.3832397 0.34 567.0311890 0.04 567.7369995 0.06 568.4733276 0.13 569.4307251 0.46 570.6483154 0.34 571.5799561 0.03 572.7882080 0.19 574.3502197 0.22 577.4365845 0.05 579.7854614 0.61 582.8410034 0.06 585.7359619 0.29 587.4752808 4.84 588.7235718 0.52 589.9513550 0.14 593.0879517 4.90 594.1407471 0.03 594.9336548 0.34 598.5711060 0.16 600.3804932 0.07 601.9334717 100.00 603.8184204 1.22 604.9478149 1.15 606.7788086 0.37 607.5839844 0.11 609.1210938 0.11 611.7439575 0.32 612.7379761 0.38 615.0085449 0.28 615.7474365 0.11 616.8140259 0.16 618.3521118 0.28 619.5344849 0.22 622.7135010 0.31 623.4711304 0.83 625.7484131 0.10 629.1190796 1.07 630.7523193 0.99 631.7021484 0.52 636.3320312 0.32 640.0839233 0.10 642.3103027 1.08 643.3125610 0.17 644.0423584 0.67 647.3633423 0.15 649.9543457 0.06 651.3323975 0.07 653.6810303 0.47 654.4332275 1.13 655.4014282 0.27 657.2681274 1.89 658.2825317 0.42 659.5277710 1.09 663.9628296 0.86 666.5254517 48.33 667.6350708 1.41 668.2982178 0.53 669.3377075 0.68 670.0499268 1.15 671.0704346 0.21 672.1167603 0.16 687.3657837 0.05 690.5985107 0.15 692.5972290 0.23 705.3952026 0.84 706.8148804 0.17 710.5496216 0.14 711.6038208 0.20 712.5044556 0.42 715.4714355 0.06 726.3821411 0.12 727.5592651 0.36 728.4464722 0.78 730.8717041 0.27 732.1946411 0.14 736.1453247 0.28 737.9083862 0.17 738.6723022 0.09 740.8753662 0.50 746.5465088 0.07 748.0891724 0.09 750.0880737 0.64 754.3211060 0.25 755.5661011 0.90 759.2296143 0.28 763.3954468 4.68 764.6596680 0.40 765.9990845 0.34 768.2938843 0.54 774.0580444 0.80 781.0702515 0.18 784.2045288 0.35 789.6920776 0.18 795.9541626 0.41 799.9956665 0.14 801.0065308 0.23 806.2143555 0.07 808.0061035 0.51 809.4229736 0.17 810.7896118 0.63 813.1536865 0.47 814.6372681 0.30 816.2908325 0.35 817.7362061 0.15 818.6870117 0.33 819.6742554 0.29 823.3779907 0.15 825.9964600 0.11 829.6543579 0.08 831.8048706 0.11 834.4602661 31.88 835.4639282 6.74 836.7614746 0.13 837.6498413 0.38 839.5842285 0.11 840.7246094 0.68 846.4368896 0.24 847.4251099 0.19 848.0844727 0.06 852.5571899 15.45 853.4595337 2.62 854.2388306 0.19 857.7877808 0.06 860.2389526 0.31 864.1021118 0.14 864.8212891 0.45 867.5763550 0.12 868.8393555 0.55 870.6057739 0.80 875.7890015 0.08 877.0322876 0.80 879.3893433 0.08 881.0468140 0.05 883.6364746 0.32 891.9579468 0.50 892.6295776 0.44 898.5061035 0.13 902.3059082 0.22 904.5017090 0.04 905.5654297 0.10 907.5853882 0.56 911.1689453 0.28 912.4484863 0.18 917.5891724 4.08 918.6943359 0.08 920.6622925 0.50 926.1828003 0.57 927.2031860 0.36 932.0105591 0.55 932.6130981 0.39 935.4755249 60.74 936.5001831 8.37 937.1094360 0.12 941.6781616 0.21 946.2197876 0.10 947.4435425 0.25 948.9846802 0.11 953.4213867 3.58 954.1721802 0.18 973.5441284 0.30 977.0125122 0.22 990.5599976 0.07 1024.7919920 0.12 1035.7626950 0.08 1036.5461430 0.17 1061.9698490 0.12 1077.6066890 0.05 1082.6292720 0.56 1085.4821780 0.17 1086.6295170 0.20 1103.5344240 4.83 1104.5496830 0.71 1105.3868410 0.26 1113.5714110 0.05 1117.6704100 0.03 1118.9652100 0.16 1130.5318600 0.11 1131.5393070 0.08 1133.3884280 0.16 1135.4857180 0.07 1159.8283690 0.37 1168.0377200 0.17 1183.6278080 0.14 1184.5681150 0.31 1185.3673100 0.60 1185.9931640 0.35 1202.5533450 6.65 1203.4812010 0.57 1204.0941160 0.03 1252.6855470 0.25 1283.3077390 0.13 1341.7271730 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 653.85 Annotation Unknow Peak:m/z Relative Intensity 183.1474152 0.06 189.3757629 0.09 192.9398193 0.35 197.1261597 0.07 200.0458069 0.46 201.0985107 0.42 210.1598511 0.22 211.1423035 0.50 214.9614410 0.07 217.1416168 0.09 219.2652283 0.03 223.2886810 0.04 228.1878052 1.97 245.1866760 0.33 249.0832367 0.04 251.2473450 0.09 258.9912720 0.08 272.0828857 0.15 277.2573853 0.22 278.3976440 0.41 279.3113403 0.11 281.3632812 0.41 282.3977661 0.25 283.2982483 0.24 284.2850342 0.16 296.3030701 0.74 298.2206421 0.08 299.2584839 0.13 306.2432861 0.17 308.3327637 0.05 311.2087402 0.13 314.9472656 0.13 316.4805298 0.49 317.7378540 0.18 323.2361450 1.00 324.2182617 0.81 325.2897644 0.14 327.4270630 0.05 330.4424438 0.20 333.3075562 0.06 337.2127686 0.09 339.2612305 0.07 341.2559204 3.19 343.4371338 0.12 344.4792480 0.11 354.4403076 0.23 355.5595093 0.04 358.3441772 0.16 359.2413330 0.12 368.2562866 0.10 373.1423340 0.10 379.4281616 0.14 387.0493164 0.20 396.0996704 0.60 399.2110596 0.17 400.1871948 0.45 407.1167603 0.13 409.1646118 2.15 412.2232666 0.12 417.4216309 0.17 420.4832153 0.08 421.5897217 0.08 423.8720703 0.38 425.9526978 0.40 426.6550903 0.11 428.3154297 0.11 430.4111328 0.15 432.8490601 0.56 434.8012695 0.06 437.1091309 8.09 438.1328125 0.66 440.2591553 0.13 445.0587158 0.28 446.0745850 0.52 446.6760864 0.15 448.1832275 0.40 452.6088867 0.10 454.2384033 1.67 455.2155151 0.12 458.0881348 0.05 460.5220337 0.13 464.2272949 0.14 464.8518066 0.03 465.7844238 0.06 467.2909546 0.30 470.5388794 0.81 471.2943115 3.22 472.5385742 0.51 473.4190063 0.26 475.0270386 0.25 479.2317505 0.08 481.5547485 0.12 483.8254395 7.96 484.6801147 0.21 486.0961304 0.22 488.3856812 0.16 490.1806030 0.07 491.5108032 0.51 492.4361572 0.53 493.4144287 0.45 494.3341064 0.06 498.0497437 0.15 503.1902466 0.06 505.3349609 0.20 506.2593994 0.26 508.2961426 0.42 509.3731689 0.48 510.4512329 0.13 511.6823120 0.49 512.7003784 0.06 514.7139282 0.49 519.8193970 0.09 522.0833130 0.14 524.1026001 0.66 525.1248169 0.25 529.6878052 0.25 530.9041138 0.12 536.4558716 0.11 537.2377319 0.06 540.4735718 1.04 541.5441895 0.30 542.6713257 0.71 544.7377930 0.22 546.7272339 1.05 547.9252319 0.73 550.1802979 0.26 551.1127319 2.05 552.1082153 0.36 553.0953979 0.17 556.2160034 0.53 557.5995483 0.23 559.9292603 3.14 561.0654297 0.29 563.7378540 0.38 565.5398560 0.26 568.2119751 3.42 569.4199829 0.67 570.3577271 0.33 571.3545532 0.49 571.9968262 0.10 572.9105835 0.40 577.7506714 0.18 579.4962769 0.06 580.1094360 0.04 581.4397583 1.19 583.5852051 0.62 585.2581787 1.30 585.9168701 0.15 586.6443481 0.25 587.7710571 0.05 588.5170288 0.20 589.6759033 0.28 593.8698120 1.88 594.8982544 0.40 599.3565063 1.42 600.5097046 0.29 601.2952271 0.24 602.5245972 0.33 603.5964966 0.85 605.1605225 0.19 605.9472046 0.14 607.4906616 7.66 608.1130981 14.91 609.4317017 0.83 610.4889526 0.59 611.8270874 0.35 613.7301636 0.05 614.3950806 0.18 616.3626099 10.65 616.9876099 1.22 617.6686401 0.05 619.3951416 0.85 620.6159058 1.11 622.7937012 0.66 623.4943848 3.16 624.5330200 0.84 625.6259155 0.44 626.2315063 0.12 627.4619751 0.86 628.7626343 0.18 629.5069580 0.26 630.5262451 1.11 631.6679077 1.95 632.3139038 0.10 633.5968018 0.35 634.2396240 0.06 635.5524902 1.54 636.5712280 6.18 637.5007324 0.49 638.5294800 0.23 641.1061401 0.61 641.7302856 1.71 642.3761597 2.20 645.0343628 100.00 646.0668945 0.80 647.3247681 0.19 648.7218018 0.09 656.4019165 0.04 665.2832642 0.66 666.0482788 1.01 668.2493286 0.13 671.0161743 0.28 675.6074219 0.15 676.3679810 0.08 681.8884277 1.22 682.6528320 0.42 683.7057495 0.05 685.3190308 0.29 688.3547363 0.07 692.5215454 0.25 697.5696411 0.38 699.5474243 0.72 701.1953125 0.08 703.0408325 0.07 704.0447998 0.18 705.4151001 0.66 706.5639648 0.05 711.5590820 0.58 716.3011475 0.22 717.8031006 1.08 720.7173462 0.15 722.4624634 10.41 723.3750610 1.21 729.2969360 0.20 734.4715576 0.38 735.4689941 0.24 740.4790649 0.15 741.5352173 0.07 744.6616821 0.11 750.2669067 0.28 751.4824219 0.59 755.2941895 1.12 757.2380981 0.18 763.1940918 0.16 764.5955200 0.90 765.9603271 0.35 768.5699463 0.43 769.9620972 0.52 770.6857300 0.33 771.6514282 0.25 772.2571411 0.21 773.9310913 0.38 774.7962646 0.55 776.8452148 2.04 777.8892212 1.30 778.5449829 1.41 779.3955078 0.11 780.5516968 0.14 783.0341797 0.06 784.1657104 0.52 787.8787231 0.25 789.5750122 0.16 790.3948364 0.05 791.7498779 0.11 793.8551636 0.68 794.7210693 0.23 797.7686768 0.12 799.5139771 0.16 800.1996460 0.25 802.6076660 0.68 804.3192749 0.61 805.8082886 0.59 806.4489746 0.21 807.5274048 0.26 809.7680664 0.83 813.5006714 0.05 814.7067871 0.98 816.9483643 0.65 818.7819214 1.10 819.5470581 2.79 820.4863281 0.57 821.7986450 0.35 827.1029663 0.42 828.5088501 0.04 830.1741333 0.12 830.8178711 0.06 832.7012329 0.23 833.7157593 0.50 834.6812134 0.10 835.3079834 0.40 836.5160522 2.82 837.4984741 0.46 841.8040771 0.22 843.9168091 0.14 844.9764404 0.08 846.2792969 0.14 850.0834351 0.05 853.4001465 17.35 854.4750977 2.10 856.2519531 0.17 856.8882446 0.30 857.6692505 0.12 858.7084961 0.73 859.3562012 0.12 860.0667114 0.23 862.3024902 0.44 864.0227661 0.36 867.7509766 0.29 868.9960327 0.15 870.2678833 1.91 871.1645508 1.88 871.9750366 0.44 876.4650269 0.17 879.3148804 0.59 880.7897339 0.11 885.0840454 0.10 886.8759155 0.26 888.4883423 0.24 890.1123047 0.43 891.5739746 0.82 893.0486450 0.23 898.6869507 0.37 899.9199829 0.07 903.0189819 0.32 905.4297485 0.12 906.0976562 0.03 913.5085449 0.04 916.0296021 0.80 919.6684570 0.17 921.1550293 1.81 934.5192261 0.05 948.4566040 0.04 960.5496216 0.07 962.7069702 0.37 966.5473633 7.97 967.5689087 1.26 969.3866577 0.04 972.8120728 0.07 973.6135864 0.12 977.6952515 0.22 990.3024292 0.52 991.5363770 0.46 992.4943848 0.37 993.5490112 0.17 1004.5126950 0.58 1006.6636350 0.18 1022.6504520 0.03 1032.2302250 0.06 1033.6777340 0.10 1041.7067870 0.07 1044.3524170 0.17 1060.9493410 0.09 1062.6201170 0.13 1070.8110350 0.16 1073.9965820 0.22 1074.7617190 0.13 1079.5822750 7.57 1080.5592040 1.21 1084.6740720 0.91 1090.8740230 0.24 1091.5471190 0.83 1092.3310550 0.65 1094.5324710 0.16 1098.9824220 0.09 1101.5479740 6.34 1102.5515140 0.75 1109.5727540 0.07 1118.4021000 0.45 1155.5871580 0.23 1190.5903320 0.06 1192.3134770 0.18 1193.3851320 0.25 1252.4604490 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 678.2089 Annotation Unknow Peak:m/z Relative Intensity 192.8584595 0.06 195.2841644 0.07 213.1140594 0.05 221.0926361 0.11 249.4716644 0.07 263.1849060 0.02 275.1121826 0.58 293.2451172 5.70 303.1371765 0.06 317.3007202 0.04 319.2774048 0.05 323.3522339 0.20 335.1271057 0.07 337.2036133 4.46 341.3555908 0.42 393.3300781 0.12 411.2117920 1.71 412.1300049 0.13 434.8668213 0.12 437.2584229 2.03 454.1273804 0.37 455.2229004 100.00 463.4375610 0.24 467.3713379 0.15 472.1791382 0.23 481.2109985 2.00 483.8602295 0.48 486.0219727 0.05 499.2098389 73.68 509.8413086 0.16 515.2106323 1.89 516.0596924 0.95 531.2593384 0.04 536.0835571 0.07 574.5572510 0.07 576.3097534 0.18 588.1953125 0.58 596.2808838 1.95 596.9795532 2.45 612.3240967 0.04 629.9702759 0.10 632.3189697 0.06 634.1996460 0.34 640.5711060 0.07 650.8355713 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1018.0431 Annotation Unknow Peak:m/z Relative Intensity 288.5541382 0.12 315.2399292 0.15 323.2064209 0.31 329.0049133 0.38 341.7410889 2.36 342.3753357 9.60 343.3255615 0.92 353.2141113 0.48 356.0943604 0.37 381.2088318 0.17 413.2241821 4.14 414.2410583 0.47 418.5743713 0.20 437.2516174 1.21 441.7198792 0.19 443.2359619 0.30 444.4165344 0.78 446.3077698 0.74 447.2127075 0.12 454.3320923 1.08 463.2658997 0.55 472.1662598 0.48 484.5388794 0.78 488.4591370 0.21 494.0277100 0.41 500.0919800 0.47 520.1125488 0.46 527.6026611 1.22 530.8256226 0.40 537.2952881 0.66 552.7908325 0.48 554.1142578 0.34 559.2099609 0.50 560.3973389 0.15 568.3702393 0.49 570.7374268 0.67 575.5046387 0.16 576.5100098 0.36 580.2248535 0.14 585.2926025 0.12 592.1281738 0.85 596.1031494 0.29 602.1348877 0.26 609.4134521 0.09 612.1527100 0.67 624.2407837 0.62 629.4925537 1.11 633.4619141 1.49 642.4404297 2.41 643.4981689 0.68 647.4132080 1.07 651.8548584 1.14 659.5142212 0.44 672.2687378 0.43 680.7891235 0.48 682.8433838 0.84 687.5988159 0.52 690.1787720 0.20 691.1983032 0.24 699.4046631 0.45 700.0065308 0.63 708.9716187 0.48 713.5514526 1.13 716.6362305 1.35 717.5328369 1.05 722.0407715 1.32 723.5468750 0.17 725.3472900 0.76 726.1312256 0.36 729.5092773 0.74 744.3806152 0.24 747.5766602 1.61 749.9484863 0.91 755.3472900 0.17 759.1805420 1.11 760.2796631 0.10 761.7506714 0.74 766.7702026 1.53 768.0078735 0.78 768.6669922 0.29 770.5957031 0.68 771.5725098 0.19 772.2073975 0.21 775.8562012 3.00 780.4195557 0.56 781.0289307 0.74 782.2154541 2.64 783.1158447 1.02 783.9802246 0.93 789.3875732 1.98 791.1582031 2.87 794.1441650 0.16 798.0179443 0.96 800.3654785 0.85 803.4884033 3.19 804.5166016 3.79 805.3925781 0.18 808.8215332 0.25 809.5308838 0.15 812.1480713 4.29 814.7828369 0.57 815.7916260 0.54 818.5478516 2.51 819.4758301 1.98 822.0457764 0.49 822.9477539 0.87 824.8293457 0.60 825.7780762 0.33 830.3327637 3.04 832.5002441 3.24 833.6425781 1.02 836.3870850 5.72 838.4287109 7.38 839.0319824 14.71 839.8186035 1.94 840.4202881 0.42 847.5891113 34.28 848.4409180 0.56 850.3560791 0.28 853.6070557 0.44 855.7204590 0.43 856.9805908 0.66 863.3618164 0.20 864.1070557 0.41 866.4323730 0.85 867.5159912 2.22 869.4891357 1.22 871.5380859 1.12 873.4791260 0.70 874.7388916 0.14 880.1087646 2.08 882.7185059 0.33 883.6679688 0.09 885.6650391 0.23 887.7194824 2.26 888.8378906 1.48 891.3830566 0.89 894.2073975 0.06 896.1030273 4.38 901.6726074 0.36 903.7614746 0.18 904.6505127 1.19 907.4267578 0.18 910.1529541 0.35 913.9006348 0.96 917.6865234 4.60 918.4290771 0.59 919.6156006 0.39 923.7020264 0.99 924.4399414 0.18 928.0428467 5.06 928.6824951 6.23 931.6600342 1.79 932.2659912 0.12 933.4047852 0.21 936.8414307 43.26 937.5935059 10.03 938.4628906 0.56 943.5415039 0.40 945.6687012 100.00 946.8039551 1.11 948.4045410 0.10 949.2181396 0.91 954.6054688 0.59 966.6580811 0.31 973.6652832 1.36 974.8549805 0.44 978.4199219 0.30 981.9755859 1.99 988.5185547 0.19 990.5543213 0.84 991.4140625 0.45 992.7819824 2.20 993.6616211 1.44 996.6114502 0.49 997.8149414 0.47 1000.7078860 13.18 1002.3341060 9.27 1003.2060550 0.11 1008.9870610 4.91 1009.8920900 0.84 1025.0578610 0.60 1037.6159670 0.40 1050.7174070 0.11 1054.5432130 0.51 1085.2403560 0.25 1093.5607910 0.31 1101.8181150 2.25 1102.6370850 0.29 1109.6262210 0.82 1118.5097660 5.15 1119.6491700 2.41 1128.7829590 2.91 1133.4348140 0.66 1169.5120850 0.45 1172.4323730 1.25 1175.7233890 0.42 1181.5761720 0.25 1183.6619870 0.38 1184.2907710 0.72 1189.4841310 0.86 1199.6503910 6.19 1200.7304690 1.71 1213.9211430 0.65 1214.8923340 1.84 1215.7702640 0.97 1222.4702150 0.17 1228.1021730 1.02 1231.1606450 1.18 1231.8823240 6.32 1232.7202150 3.42 1237.8253170 0.50 1240.5412600 1.27 1241.6003420 0.90 1259.5639650 1.24 1272.4969480 0.97 1282.7899170 0.73 1285.0604250 1.02 1288.4099120 1.56 1289.0468750 0.86 1289.9932860 1.32 1302.8297120 0.75 1306.7919920 0.08 1322.0111080 0.54 1336.5876460 4.17 1337.4635010 0.56 1342.9986570 0.12 1353.4891360 3.01 1354.2076420 0.67 1363.6320800 0.28 1377.6331790 0.38 1381.8846440 0.42 1385.8642580 1.92 1386.7481690 0.69 1401.6104740 0.31 1402.7342530 3.23 1403.8020020 1.66 1427.6469730 0.41 1432.6112060 0.44 1433.4732670 0.50 1437.1397710 0.43 1437.9324950 0.27 1442.9013670 1.60 1444.1339110 0.35 1449.3979490 0.30 1450.7326660 4.02 1451.9786380 3.77 1459.8494870 2.46 1466.7093510 1.38 1478.2338870 0.24 1495.1827390 0.24 1496.0064700 0.49 1532.6396480 0.30 1549.9836430 2.06 1564.6861570 0.31 1565.9475100 0.05 1567.0141600 0.41 1581.7144780 2.93 1582.8760990 2.99 1588.7484130 0.62 1589.6480710 0.45 1596.0113530 0.31 1604.6234130 0.77 1605.6934810 15.04 1606.7703860 4.96 1622.8774410 26.90 1623.8192140 9.80 1658.8166500 0.88 1659.8249510 2.03 1660.8553470 0.75 1662.9439700 0.40 1676.2092290 12.83 1676.9157710 21.93 1677.9206540 12.12 1693.7855220 79.80 1694.8668210 35.69 1695.8737790 2.13 1737.3231200 0.36 1807.9613040 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1205.5586 Annotation Lancemaside G Peak:m/z Relative Intensity 341.4582520 0.03 598.7875977 0.02 679.3618774 0.05 737.6558838 0.18 795.6151123 0.05 799.6090698 0.05 819.5798950 0.21 837.4918213 100.00 838.5549316 0.03 840.1651611 0.03 843.3818359 0.06 853.8028564 0.03 863.4025879 0.09 881.1781006 0.26 905.7504883 0.08 914.5799561 0.03 945.2574463 0.02 960.2091064 0.02 987.4320068 0.04 999.3413086 0.08 1026.7094730 0.03 1041.3205570 0.03 1046.3735350 0.02 1161.2042240 12.93 1161.9405520 0.06 1163.6777340 0.09 1184.0485840 0.02 1185.5250240 0.10 1186.1595460 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 288.19 Annotation Unknow Peak:m/z Relative Intensity 85.9822235 0.14 87.9217529 0.11 106.0140533 0.07 109.9132309 0.04 111.0154114 0.18 113.1260834 0.03 116.1937256 0.03 119.9090729 0.04 122.1787567 0.07 126.1408997 0.19 130.9617004 0.14 136.0458679 0.06 137.9060974 0.05 139.9172974 0.11 141.9360352 0.05 144.0756989 0.17 147.2742004 0.05 148.2546082 0.08 158.9180298 0.04 161.1935425 0.26 164.2256927 0.09 171.1065063 4.89 175.0673828 0.23 176.2407227 0.06 177.0747833 0.12 178.0160217 0.04 185.2398376 0.07 186.0673065 0.23 186.7216492 0.09 188.1636810 0.11 189.0298462 0.46 190.0998688 0.16 191.3639526 0.33 192.6034546 0.06 194.2416992 0.06 196.1182861 0.03 197.2309265 0.14 199.0035095 100.00 200.3296204 0.03 201.1154175 0.04 203.0546265 0.19 206.9911804 0.06 207.9539795 0.32 210.0716858 0.09 213.9710388 0.36 216.5577698 0.20 217.3397522 0.09 219.1286926 0.03 221.3346558 0.15 224.9676514 0.07 226.0253296 0.24 227.2530518 0.38 228.1484985 0.30 229.2952576 0.03 230.2557068 0.05 231.0821533 0.22 232.2908020 0.18 233.4703979 0.20 239.1620483 0.04 242.2402649 0.54 244.0369263 0.19 245.0172119 0.09 246.2454224 0.18 247.0944824 0.30 249.3142700 0.30 249.9759521 0.14 251.1451111 0.21 252.1967773 0.38 253.6864624 0.06 255.2694092 0.06 256.4368896 0.35 258.2298889 0.60 258.9313354 0.05 260.1535339 0.65 261.2758179 0.39 262.2776794 0.09 262.8870239 0.08 264.7580261 0.11 265.6989746 0.20 268.3255615 0.39 269.2045898 0.83 270.1348267 2.62 272.1018982 2.38 272.8193359 0.13 275.6400146 0.15 276.8833923 0.12 279.0949707 1.53 279.7038879 0.64 280.9133911 0.94 281.8400269 0.48 282.7400818 1.08 283.5579834 0.11 284.8323669 0.08 299.9597473 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 735.3248 Annotation Unknow Peak:m/z Relative Intensity 252.3173218 0.03 255.3654938 0.02 300.1127319 0.02 306.2843018 0.06 307.1498108 0.01 329.1998291 0.04 341.1840210 0.04 365.1652222 0.07 375.2640381 0.02 425.3192749 0.13 451.3200684 0.05 477.8599243 0.04 493.1578369 0.10 517.2666016 0.14 527.2404785 0.11 528.9788818 0.03 531.2699585 0.02 535.4776611 0.03 537.2527466 0.15 544.1562500 0.10 554.6213989 0.10 573.3525391 0.10 575.4048462 0.04 586.1240845 0.11 604.1196289 0.04 606.3219604 0.12 619.6268311 0.03 629.2847290 0.06 641.1257324 0.02 642.4142456 0.09 647.4801636 0.13 648.9447632 0.02 658.6326294 0.02 661.7925415 0.05 677.5843506 0.04 681.6787109 0.08 689.2341919 0.64 700.2485352 0.02 703.4788208 0.32 706.5194702 0.07 710.4606934 0.06 712.4002686 100.00 713.5210571 0.72 714.6425781 0.24 716.8344116 0.71 717.4863892 0.03 718.4682007 0.04 720.4002075 0.17 740.7736206 0.08 741.5359497 0.07 777.6749878 0.56 795.4835815 1.57 809.7820435 0.03 837.5850830 0.23 957.1352539 0.03 1263.5697020 0.05 1326.6727290 0.07 1425.6558840 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 82.9332428 2.71 87.13331604 1.27 89.11708069 0.36 98.82914734 1.09 100.8269501 1.80 111.217926 0.42 112.9108887 1.08 118.696991 0.52 123.2415009 0.27 124.8883362 2.41 127.0511932 2.57 130.1124268 0.69 134.9938202 1.29 137.0122986 7.41 143.2279205 0.76 144.9979401 1.52 145.9687805 1.07 148.1266785 0.57 149.1742401 1.57 150.98172 0.76 160.7674713 1.88 161.4389496 0.53 163.0084381 3.16 163.8001862 1.09 165.2656708 1.49 166.9866791 1.70 174.2400513 0.30 175.2073975 0.78 177.0135498 2.65 179.0625305 6.76 180.0651093 2.30 181.1044922 0.45 182.8948822 0.97 188.9416656 3.79 190.8307648 5.10 192.7476959 0.90 193.4650421 0.95 197.2349243 1.90 203.2088776 1.64 205.0135193 5.27 205.8750763 1.10 207.1820831 21.14 207.9896545 9.31 209.1118469 10.92 213.0881042 2.52 214.9970856 1.17 219.0031738 0.38 221.1438751 5.40 222.1426849 5.87 223.1512909 20.96 231.1869507 1.34 233.0764923 24.93 251.0727997 100.00 252.0417938 10.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 557.1272 Annotation Piceatannol 4'-galloylglucoside Peak:m/z Relative Intensity 166.9455566 0.06 171.0731506 0.27 182.0625305 1.56 185.1596375 0.22 197.0633240 15.13 205.1239471 0.22 210.0128174 0.14 211.1049194 0.04 233.2976379 0.08 239.2422791 0.07 240.2332458 0.06 241.1752625 0.06 255.5785980 0.08 257.3562622 0.06 271.2539978 0.10 272.3012085 0.14 274.1135559 0.23 275.2012939 0.53 279.2706909 0.05 299.8919067 0.59 306.2683105 0.60 310.2850342 0.28 311.8829346 0.22 334.5250854 0.07 339.4360962 0.11 341.4020996 0.28 352.9345093 0.22 359.1367188 100.00 368.3890381 0.19 377.1436768 0.37 383.0587769 0.19 393.1129150 0.38 394.6832275 0.74 395.3123169 1.09 409.2749023 0.07 415.6143799 0.17 427.3413086 0.21 436.3449097 0.06 442.7320557 0.28 452.3933105 0.16 457.3424072 0.28 458.1393433 0.07 477.3114014 0.16 481.6451416 0.08 496.1116333 0.09 497.2844238 0.05 507.3226929 0.51 511.1334839 0.36 512.3705444 0.60 519.2064209 0.11 522.1358032 0.21 526.5925293 0.38 537.9887695 0.22 539.2662964 0.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 299.0771 Annotation Pseudolaroside A Peak:m/z Relative Intensity 88.9389648 0.27 91.9470596 0.34 92.9663696 3.69 94.9940491 0.45 98.0694122 0.10 100.9223785 0.87 107.0203247 0.12 113.0250168 3.91 116.9525223 0.10 118.7976227 0.39 121.0106125 0.15 124.9001465 0.41 127.1367035 0.09 130.9675446 0.29 132.9986420 0.14 134.9907227 0.08 136.9466553 100.00 143.0945740 0.23 149.0808411 0.10 151.0598755 6.25 158.7656403 0.16 160.3568420 0.04 161.0778809 0.14 163.0898438 0.39 168.1948700 0.04 172.9465485 0.46 174.9875793 0.50 178.9960785 86.30 180.9689941 0.10 191.1562500 0.30 203.1980591 0.55 205.0982056 0.32 207.1724548 0.14 209.0834961 20.85 210.3028870 0.10 211.0501099 0.16 212.7035522 0.25 215.1036987 0.09 219.0087585 0.09 220.9291992 0.07 224.0183411 0.08 227.2504883 0.21 229.1902466 0.19 233.2163391 1.73 237.2459717 0.41 239.0855103 99.36 241.0392456 0.08 242.1299133 0.20 251.3630676 0.39 253.0885010 10.12 254.1644897 0.10 255.3123474 1.39 256.2950439 0.05 257.3450928 0.17 262.8984985 0.14 269.2188721 0.31 271.3384399 0.53 272.1936646 0.12 281.0615845 1.66 283.0942383 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1194.5817 Annotation Unknow Peak:m/z Relative Intensity 411.2255249 0.12 434.4654236 0.45 457.3194275 0.07 465.4729004 0.18 519.6752930 0.06 580.2122803 0.13 581.4467773 0.17 585.6378784 0.20 605.3990479 0.23 623.3643799 0.12 640.5119629 0.64 644.2947998 0.36 648.4849854 0.10 661.2774658 0.09 662.7432251 0.31 666.5526733 0.24 669.1833496 0.65 674.9733887 0.18 684.4735107 0.90 692.5631104 0.14 701.3315430 0.39 702.4859009 0.07 703.7291870 0.07 709.4989014 0.20 710.2722168 0.08 718.5673828 0.14 728.2916260 0.75 731.6479492 0.20 749.6278076 0.08 753.5341797 0.19 766.1346436 0.30 767.4590454 0.13 768.7161865 0.03 771.9042358 0.18 775.5750122 0.04 779.6320801 0.05 795.3411865 0.07 801.4393921 0.09 804.6893311 0.05 805.5053711 0.19 807.6257324 0.55 816.7448730 0.08 821.4134521 1.38 823.7517700 0.56 824.6942749 0.05 830.1081543 0.07 836.6368408 0.16 839.0133057 0.28 840.6229248 0.13 849.6406250 0.04 855.5889893 0.10 865.4704590 1.94 867.4580078 0.21 868.6107178 0.10 877.6505127 0.05 879.7694092 0.17 882.4973145 0.86 887.7047119 0.13 889.0352783 0.08 895.3591309 0.40 899.7216797 0.07 907.5812988 0.39 912.6298828 0.38 920.2259521 0.13 921.6180420 0.51 925.5760498 0.13 930.5969238 1.22 934.4450684 1.01 935.2835693 0.18 939.2982178 1.57 940.1047363 0.38 944.8034668 0.25 947.4704590 0.27 951.4552002 2.78 952.0892334 0.02 965.5145264 0.52 967.4552002 0.09 968.9272461 0.50 969.6236572 5.44 977.6519775 1.60 978.6046143 1.65 985.3977051 0.06 986.6481934 1.27 995.5732422 2.97 1000.7744140 0.33 1001.4915770 0.12 1003.5605470 1.36 1013.4599610 0.37 1017.3474120 0.13 1021.6724850 1.71 1028.1560060 0.05 1029.5883790 0.04 1030.6121830 2.64 1034.7812500 0.08 1035.5827640 0.58 1045.4666750 0.14 1047.5227050 4.74 1048.1417240 0.09 1058.8139650 0.21 1065.5480960 8.10 1077.5478520 0.07 1084.6738280 0.30 1085.6485600 0.23 1088.7227780 0.93 1097.5517580 0.07 1102.6721190 14.93 1104.5996090 0.27 1110.7838130 0.10 1111.9985350 0.28 1114.4665530 1.64 1120.5561520 10.64 1121.2606200 0.05 1128.6325680 0.12 1132.5983890 27.10 1140.7326660 0.08 1146.5955810 44.14 1147.2606200 0.10 1150.5366210 54.46 1151.2680660 0.13 1155.6358640 0.12 1158.5598140 6.63 1164.6203610 47.14 1176.5219730 100.00 1177.2154540 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 288.09 Annotation Unknow Peak:m/z Relative Intensity 86.3757553 0.30 87.0204010 0.29 87.8163605 0.05 90.9421463 0.04 96.0118485 0.08 98.0891495 0.26 102.8988647 0.31 104.8629227 0.99 106.9633789 15.54 110.9147034 0.13 115.0509109 0.09 115.9623642 0.68 120.9331512 0.77 121.9166031 63.24 125.8815460 0.07 127.1288147 0.07 128.0959320 0.28 129.0625458 0.15 130.1110229 0.20 141.1206055 0.11 142.2146759 0.26 143.0797882 0.10 143.9835815 0.15 146.0308228 0.13 148.9822083 100.00 149.7638550 0.02 152.0439453 0.09 156.0020447 0.38 157.0824738 0.04 157.8787384 0.07 161.8436279 0.19 163.1002960 0.08 166.9696350 98.91 168.9980621 0.14 171.0494995 0.19 172.0575409 0.89 173.0166626 0.14 175.0964813 0.94 177.1435547 0.12 178.2148895 0.14 181.9618530 0.27 186.1686096 0.31 187.2283325 0.18 189.1852417 0.42 191.2865906 0.56 192.1476898 0.60 194.9633179 0.05 197.9759216 0.58 199.0659180 0.60 200.1129761 0.13 202.7832642 0.30 208.1634216 0.08 210.0780945 0.38 212.8891296 0.16 214.1623840 0.11 215.4175720 0.04 217.2619629 0.04 222.6336670 0.34 225.0723267 0.76 225.9579163 1.04 227.3110962 0.30 228.2933960 0.50 229.1995544 0.91 230.4265747 0.08 231.3854065 0.62 232.2334595 0.05 234.9739075 0.05 239.2274780 0.27 241.0408936 0.56 242.2110901 1.04 243.2047119 0.10 243.9933167 0.49 245.0751648 0.14 246.3900757 0.09 247.3099976 0.29 252.0209961 0.44 256.2702637 0.33 257.6796570 0.45 259.0328979 0.55 260.1828613 0.73 264.8565979 0.31 270.0239868 10.72 271.2029419 1.74 272.6412354 0.33 274.2752991 0.14 278.5481262 1.06 279.3948669 0.68 281.6715088 0.31 287.3464355 0.16 296.4995422 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 662.2204 Annotation Unknow Peak:m/z Relative Intensity 193.0873566 3.74 195.0191650 0.06 215.1323242 0.10 227.0725403 0.05 233.0842285 0.99 238.3304443 0.10 245.2763062 0.14 250.7742310 0.09 256.2077026 0.02 260.4395752 0.04 268.1090698 0.54 272.1807251 0.04 274.0304565 0.30 289.0031128 0.05 290.2033081 0.16 291.2618103 0.23 292.2093201 0.04 305.0018921 0.06 308.0968018 49.99 308.6995850 0.26 322.9555054 0.07 331.1571960 0.09 336.4329834 0.01 341.3381958 0.31 344.9874268 0.06 350.1624146 0.18 358.3903198 0.03 359.4093628 0.09 364.7266846 0.06 367.2523193 0.02 369.2183838 0.06 371.0263672 3.04 374.5288696 0.04 381.0990601 0.02 384.0200195 0.02 385.4762573 0.10 386.3161621 0.02 395.0853271 0.01 396.4672241 0.05 400.3474731 0.09 401.3737793 0.09 410.9551392 0.09 416.3302002 0.17 425.1035767 0.41 426.3655396 0.03 429.3363037 0.27 433.9647827 0.35 436.5154419 0.09 442.0787354 0.08 452.2090454 0.44 455.3154907 0.02 458.3186035 0.11 464.4270020 0.24 470.2111206 1.78 472.4323730 0.02 473.0749512 0.07 482.1903687 0.04 483.2596436 0.04 484.3781738 0.06 492.4641724 0.04 498.6461792 0.03 500.0748291 100.00 500.7895508 0.36 504.8915405 0.21 511.3783569 0.14 513.1726685 0.02 514.1198730 0.03 515.3440552 0.19 522.1734009 0.02 526.4587402 0.04 527.2656860 0.10 533.1206665 0.01 536.6101685 0.02 540.2747803 0.12 542.2116699 0.45 544.3212891 0.25 545.2565308 0.09 546.6897583 0.04 548.2680664 0.38 552.1292114 0.08 559.0078735 0.09 563.5651245 0.16 567.9129028 0.38 569.3225708 0.09 570.1696777 0.08 572.1317749 0.16 573.6776123 0.02 577.2676392 0.09 578.2310791 0.18 584.3695679 0.13 587.7509155 0.12 591.0590210 0.04 600.5120239 0.06 601.8628540 0.02 603.2740479 0.04 607.5217896 0.18 608.1664429 0.18 610.1125488 0.07 615.9469604 0.61 618.9668579 0.19 621.1916504 0.08 622.3892212 0.10 625.9640503 0.30 627.2558594 0.02 628.6953735 0.04 629.6989136 0.20 632.6522217 0.15 635.5079956 0.43 636.2503052 0.23 638.5315552 0.09 643.6082764 0.50 644.2503052 1.15 644.9290161 0.02 645.5571289 0.18 646.7400513 0.10 651.2301636 0.15 653.2297974 3.02 654.1609497 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 587.2546 Annotation Unknow Peak:m/z Relative Intensity 179.2377319 0.11 183.0258636 0.10 199.9843903 0.17 202.1046753 0.04 230.0663910 0.12 236.3422089 0.06 249.1011047 0.11 285.1155396 0.26 288.3493652 0.06 293.2081299 100.00 302.9511719 0.12 306.2891846 0.62 326.2713013 0.23 331.1826172 0.07 337.3494263 0.09 341.2462158 0.06 355.0936890 0.18 358.4776001 0.34 359.1099854 0.12 360.1296997 0.29 366.3496094 0.12 383.4918213 0.08 386.0682373 0.06 414.2427368 0.09 439.0953979 0.08 440.0692749 0.47 455.1488037 0.06 456.4254761 0.33 458.0629883 0.06 461.2128296 0.06 465.5047607 0.04 466.3168335 0.13 477.6331787 0.21 494.8433228 0.32 497.4672852 0.16 499.2942505 0.06 511.4821167 0.23 513.0547485 0.31 515.0706177 0.13 525.0819092 0.14 536.4447632 0.13 540.9137573 0.52 542.4661255 0.72 543.3126831 0.22 551.2223511 0.37 556.3945923 0.45 557.7472534 0.06 568.1062622 0.56 569.1713257 0.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 129.0350494 0.11 132.8517456 0.46 145.0667114 0.22 157.039093 0.14 165.2082825 0.37 167.1416016 0.63 169.0755005 0.98 171.120224 0.52 172.8892212 0.69 185.079071 3.02 187.023819 0.59 194.9404297 0.25 197.2084351 0.49 199.0763855 2.09 201.1260834 2.02 203.079895 1.01 211.2012329 0.94 213.1246338 1.90 215.1313782 3.42 225.2225952 0.76 227.1120605 1.35 228.9852295 1.15 231.1322021 1.68 241.2332458 2.04 242.2278748 0.59 243.2973022 8.96 245.3224792 1.14 247.4044189 0.18 251.3522949 0.81 253.2758179 0.56 255.3305664 0.60 257.3001709 6.28 259.112793 3.40 261.3658142 0.56 263.3587341 2.89 267.3677673 0.33 269.0822144 0.95 271.2970581 4.71 274.9413452 0.36 283.2756653 0.69 285.1893921 7.86 287.3200684 0.61 293.2020264 1.74 295.3539429 0.48 297.3608398 2.83 298.1851501 1.36 299.335144 5.76 301.1375732 0.51 303.1885376 1.30 310.6265869 1.65 311.3553772 1.20 313.1783447 0.73 315.3031921 6.45 321.2998657 0.89 323.3190308 6.56 325.2731934 0.20 329.2951355 1.33 330.2076416 0.86 339.241394 100.00 339.9005127 1.15 341.3444824 20.94 343.3747559 0.72 348.7797241 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 501.1895 Annotation N-Demethyl-7-O-demethylcelesticetin Peak:m/z Relative Intensity 142.0499420 0.20 145.0505524 0.04 146.1423035 0.22 146.9611816 0.09 147.9888763 0.11 149.0145569 14.76 149.7143707 0.20 157.8718567 0.09 162.9638062 1.48 165.0123596 0.09 169.8658142 0.10 178.8380127 0.35 187.2818604 0.20 188.0765076 1.56 193.2298584 0.24 199.1332092 0.14 199.8667297 0.07 203.0196075 0.05 205.1731262 0.05 206.1988525 0.16 216.0917816 0.27 217.0278015 0.09 222.3965912 0.04 232.2453003 0.11 233.9738464 4.68 235.2168884 1.09 236.4414215 0.10 241.5059357 0.06 243.5801086 0.05 249.1053162 2.49 251.0848083 100.00 252.0879822 10.25 257.0752258 0.06 260.0000916 0.42 269.9750366 0.09 288.1265869 0.03 294.2769165 0.35 301.0835876 0.14 306.1345825 0.05 308.2577820 0.79 309.2080688 0.34 316.9101257 0.08 320.1515503 0.04 322.2861633 0.26 323.0761108 0.13 324.4942627 0.11 325.8724060 0.10 335.1551819 0.28 336.1113892 0.33 338.0933228 0.07 352.8043518 0.04 354.1161194 3.10 363.0145264 0.37 364.2988892 0.13 367.0660400 0.08 369.3001709 0.36 371.5659180 1.28 372.1947632 22.15 373.3999939 0.22 381.1891174 22.13 399.1439209 0.71 405.6952209 0.10 412.5419006 0.04 417.2636719 0.12 428.3631897 0.37 433.2500916 0.20 440.3426819 0.20 443.1326599 0.10 453.4005432 0.10 465.2200623 0.16 466.2236023 0.09 471.6838989 0.21 478.7777710 0.13 483.2178345 19.69 484.1869812 0.83 485.2932739 0.32 491.9750061 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 472.239 Annotation Unknow Peak:m/z Relative Intensity 138.9339752 0.17 157.0045166 0.11 161.1228333 0.13 161.8139648 0.12 170.7599030 0.12 173.0650940 1.40 177.2101746 0.11 180.8957214 0.77 185.1291504 0.31 187.2344360 0.69 198.8195801 1.73 200.2403259 1.36 203.1598969 9.01 204.0604553 0.47 211.4135437 0.15 213.1685944 0.11 217.0080261 4.13 221.1279907 0.11 226.6711731 0.46 229.0382080 0.28 230.4437256 0.79 231.0534821 0.14 245.0497742 18.60 245.9978638 0.87 253.2067261 0.28 254.0852661 0.39 257.3899841 0.16 258.3155518 0.51 270.2677307 1.36 272.3566895 0.09 274.0541992 0.24 277.0604248 0.42 278.9378967 0.22 284.8652344 0.74 288.3899231 0.55 298.2476196 0.53 299.1262207 0.83 306.2361755 0.47 312.1156006 0.24 313.5694885 1.25 314.5028687 0.12 316.0757141 2.73 317.3230591 0.41 318.4585571 0.23 326.1824341 0.38 328.3193665 0.21 329.3358154 0.51 330.3029785 0.39 331.7996216 0.21 333.3251038 0.35 339.3253784 0.07 341.4890747 0.37 345.5370483 0.42 346.4410706 0.76 351.2899475 0.32 356.9332275 0.42 360.2850952 0.49 368.2669067 0.46 370.5923462 0.18 371.4496460 2.74 384.2344971 0.34 391.2904358 0.51 398.1729126 0.97 405.6890564 0.48 406.6492615 3.65 407.6222534 1.63 411.7046814 5.02 412.5143738 0.06 413.3308411 0.49 416.2680969 0.07 420.6901550 61.51 421.3087158 14.64 421.9739075 0.79 422.7792053 0.68 423.5614929 0.36 425.1959229 0.15 426.3333740 0.76 427.5652771 0.21 428.3222961 0.33 432.9617615 0.56 437.4895935 0.57 438.1338196 1.19 440.5925903 0.08 442.5071716 1.24 444.2985840 4.43 447.0670471 0.38 447.9247437 0.66 450.8351440 0.77 454.2427979 3.51 456.3267822 38.24 457.3015747 0.41 458.6019287 0.50 459.2086487 0.05 461.2128906 0.76 463.2214050 5.53 464.0906372 3.16 466.4418030 0.13 485.6214905 0.24 488.5671082 0.25 497.0619507 0.28 500.2784119 9.90 501.4539490 0.94 512.5062256 0.42 513.4883423 0.19 521.5652466 0.14 525.5630493 0.96 526.4119263 0.23 529.2601929 0.39 537.1249390 0.53 545.2236328 1.14 552.5649414 1.11 565.4800415 0.09 576.1130371 1.62 576.9884644 0.95 583.1879272 0.12 584.1013184 1.07 594.4401855 0.73 595.6082764 1.79 596.5476685 1.50 597.7005005 0.67 608.3693237 0.41 612.2908936 2.83 613.5727539 0.62 614.6452026 1.57 623.1149292 0.78 624.4149780 0.21 628.3752441 6.14 629.5274048 1.03 632.9304199 1.03 634.7396851 0.28 641.6992798 0.95 642.6074219 0.92 644.4523926 0.77 647.3822021 0.25 651.2654419 0.32 666.5154419 0.27 667.2896118 0.89 673.4909668 0.25 681.5354614 0.92 693.3374023 0.30 694.8571777 0.33 699.3977661 26.67 700.4992065 5.35 712.4628906 4.67 713.4547729 0.80 720.8997192 0.36 721.7568970 0.77 722.6837769 0.58 723.3578491 0.62 724.4225464 0.49 727.7056274 0.15 741.4096069 46.52 742.4851685 13.87 746.5777588 1.33 750.8385620 0.33 764.7109375 0.20 769.5603027 0.14 783.0811768 1.58 795.6226196 0.48 799.6342773 0.24 810.4941406 0.42 812.4981079 0.08 821.6465454 1.05 822.4577026 2.13 823.4948730 2.52 824.4174805 0.32 840.4567871 100.00 841.5458984 30.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 699.3798 Annotation all-trans-Heptaprenyl diphosphate Peak:m/z Relative Intensity 234.8839417 0.14 243.0737610 0.25 256.9274597 0.06 279.2966614 0.35 281.3695984 0.21 305.3028870 0.10 339.3380127 0.05 361.1708984 0.22 368.1879883 0.16 397.2607422 7.40 415.2564697 1.05 452.3406372 0.10 518.9638062 0.43 533.0099487 0.19 539.4275513 0.04 566.4335327 0.12 593.5520630 0.14 616.5457153 0.20 629.7305298 0.48 632.3648071 0.12 635.3259888 0.50 653.2336426 100.00 653.9502563 0.41 654.9505005 0.38 663.0255737 0.19 670.8696289 0.10 673.8546753 0.21 680.1840210 0.22 681.5010376 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 468.1443 Annotation Unknow Peak:m/z Relative Intensity 134.9858704 0.05 138.8886871 0.04 143.0398407 0.69 144.0686646 0.14 145.2277222 0.10 146.1443787 0.07 146.9842834 0.01 155.0097046 0.02 160.0364990 0.67 161.1781769 0.14 166.0725555 0.03 167.1692505 0.17 167.9384460 0.02 169.9383240 0.07 171.0959320 0.22 171.7649231 0.02 177.1467590 1.56 178.0371094 0.12 179.0498199 1.21 179.9782104 0.32 183.9791565 0.02 185.1168213 0.11 192.0962372 0.02 197.1359863 0.20 210.1318054 1.11 211.0402222 0.15 213.3046112 0.06 214.2120972 0.02 228.3185425 0.06 229.1907349 0.02 231.0764771 0.06 236.3009033 0.03 237.2297516 0.05 242.1533813 0.11 247.0476074 0.02 254.1242371 7.74 255.2092590 2.23 260.2001038 0.02 272.1534119 10.50 273.2098694 2.68 288.0841370 14.60 289.1867981 3.37 306.1152954 100.00 307.1293945 23.41 320.2582397 0.08 339.1441040 0.06 340.0826111 0.16 354.2679749 0.02 450.1623840 0.97 451.3168945 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 468.1445 Annotation Unknow Peak:m/z Relative Intensity 143.0071716 0.24 145.0397644 0.02 159.9490509 0.32 167.0586090 0.06 171.1510468 0.08 177.0691528 0.16 178.9279785 0.37 185.1620178 0.05 197.1942444 0.09 201.0351257 0.07 210.1491699 0.27 213.0813751 0.02 226.1334991 0.02 227.3354187 0.02 231.0900269 0.04 236.0244141 0.10 242.0861206 0.12 244.4184265 0.01 247.2388611 0.07 252.4545898 0.02 254.0749817 2.98 256.4188232 0.02 269.2154846 0.05 272.1371155 3.34 287.5937500 0.92 288.2157288 3.17 291.4896851 0.03 306.1318359 100.00 306.9263000 0.01 315.0634460 0.04 320.0718079 0.46 328.1335754 0.05 335.8986206 0.08 339.1934204 0.02 341.3228455 0.03 351.7258606 0.06 353.3875732 0.07 365.4824829 0.02 375.2839355 0.05 380.3379517 0.02 421.3715210 0.06 422.2268677 0.09 423.3247986 0.06 424.1018372 0.05 431.8735962 0.08 449.2492371 0.14 450.0061646 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1044.5358 Annotation Dehydrocommersonine Peak:m/z Relative Intensity 336.3116150 0.03 341.1517639 0.02 451.4146423 0.04 452.2427673 0.01 455.3160095 0.05 456.2205200 0.01 459.2572021 0.01 485.3493042 0.09 526.5032959 0.07 527.4256592 0.12 528.3312378 0.02 540.6426392 0.03 541.6447144 0.01 549.4614258 0.01 552.7102051 0.03 556.4824219 0.56 557.4990234 0.25 558.5689697 0.02 559.4948730 0.03 567.5541992 0.02 582.2686768 0.01 585.3070068 0.01 596.5894775 0.01 598.6336060 0.02 600.3280029 0.51 601.2261963 0.09 616.0167236 0.03 626.5145874 0.01 630.6959839 0.01 670.5289307 0.02 697.5219727 0.01 700.5936279 0.04 701.4030762 0.01 702.5023193 0.01 703.8311768 0.20 704.7982178 0.10 710.4362183 0.09 711.3890381 0.04 723.5056763 0.01 727.5725098 0.07 728.4373779 0.07 729.4271240 0.01 733.6719971 0.03 747.5935059 0.06 748.4567871 0.02 769.5928955 0.02 772.8599854 0.01 786.6716919 0.03 787.7142334 0.01 808.5435791 0.16 809.5733643 0.09 816.5533447 0.52 817.5349121 0.28 823.0504150 0.02 826.1251221 0.01 833.4509277 0.07 834.8377686 0.03 838.5340576 0.19 839.8449707 0.23 854.4851074 0.02 856.4046631 0.03 857.7575684 0.01 860.5290527 0.16 861.5708008 0.11 863.5278320 0.12 864.4547119 0.07 865.5723877 0.19 866.5604248 0.10 867.1607666 0.01 874.2436523 0.02 877.5301514 0.02 878.5836182 0.04 882.2589111 0.03 885.1857910 0.01 891.5781250 0.03 895.4577637 0.90 896.5356445 0.62 900.4923096 0.06 901.4221191 0.06 907.2836914 0.21 908.3806152 0.29 909.6009521 0.15 910.6602783 0.05 913.7218018 0.02 914.5421143 0.03 921.2489014 0.07 922.6738281 0.01 925.6474609 0.02 926.7081299 0.03 929.5128174 0.04 939.6519775 0.20 940.6384277 0.24 941.5566406 0.10 951.5592041 0.09 952.5292969 0.24 953.5418701 0.05 957.5297852 0.07 964.3754883 0.03 967.8983154 0.06 970.5556641 6.27 971.7019043 4.88 979.5543213 0.01 982.6231689 0.94 983.6206055 0.94 984.5683594 0.06 985.5786133 0.04 990.9257812 0.07 994.7036133 0.03 996.6353760 0.08 997.5952148 0.11 1000.5941160 100.00 1001.5314940 64.12 1002.3479000 0.08 1008.6506350 0.03 1009.6220700 0.03 1012.6396480 0.01 1014.4440920 3.42 1015.5541990 2.31 1021.2043460 0.03 1023.0720210 0.01 1023.8229980 0.04 1026.5883790 1.82 1027.5543210 0.83 1028.5375980 0.05 1035.8665770 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1277.74 Annotation Unknow Peak:m/z Relative Intensity 371.2441711 1.53 371.9496765 0.21 409.5544434 0.61 419.3089600 0.50 427.5675964 0.71 442.2250671 0.43 459.2605591 1.10 463.3114319 0.94 519.0704956 0.33 537.3779297 0.90 565.2789917 0.85 649.2800293 0.95 655.7125244 2.15 688.0046997 1.50 776.5306396 0.26 792.5918579 3.37 794.4508057 1.02 797.6220093 1.19 821.0977783 0.84 863.3853760 2.06 896.3480225 0.43 925.1845703 1.41 945.9057617 1.32 958.8013916 0.30 977.5865479 0.33 981.0037842 0.54 996.3229980 0.49 1001.2279050 0.79 1004.7515870 2.84 1006.5014650 1.54 1012.5233150 1.03 1014.4602050 0.21 1016.3365480 4.88 1018.7170410 4.10 1023.0200200 0.76 1037.2263180 0.81 1041.2807620 4.52 1047.8468020 2.21 1048.8479000 1.23 1055.7568360 0.56 1057.2238770 1.67 1058.0070800 1.57 1064.3557130 0.67 1068.5263670 0.78 1073.0541990 3.69 1074.2542720 0.76 1090.8060300 2.04 1103.2164310 0.30 1104.4157710 1.78 1105.2343750 0.16 1108.7988280 1.40 1109.9196780 2.02 1122.4147950 1.19 1127.8354490 4.09 1132.2780760 0.55 1134.5394290 4.14 1135.6623540 4.28 1138.7918700 1.76 1143.3444820 5.05 1144.0589600 1.43 1145.0595700 1.21 1150.7287600 4.43 1152.6441650 2.36 1155.3898930 0.33 1159.8160400 1.78 1161.3186040 0.45 1163.8466800 0.32 1164.8972170 8.14 1166.2579350 2.66 1169.2180180 5.25 1171.8394780 1.92 1172.8013920 4.95 1174.4270020 6.00 1177.0316160 1.53 1178.5463870 1.53 1179.6203610 1.66 1181.5383300 2.90 1183.4487300 2.24 1185.1409910 0.34 1187.6878660 13.42 1188.7197270 10.32 1190.3947750 3.71 1192.3757320 1.34 1193.5946040 1.05 1196.4836430 6.39 1199.8515620 5.49 1200.8588870 4.79 1202.9130860 6.58 1204.6314700 8.70 1205.5397950 1.32 1206.7105710 7.14 1207.3823240 4.40 1208.2636720 4.36 1210.2048340 25.31 1211.6000980 3.58 1212.7863770 2.54 1213.5732420 1.04 1214.4324950 7.06 1216.0319820 5.57 1217.2087400 1.77 1218.8404540 13.66 1219.5919190 0.47 1220.5207520 1.70 1221.1270750 1.91 1222.2618410 2.42 1223.2390140 6.41 1223.9819340 2.93 1224.6766360 3.52 1225.7592770 4.67 1227.1629640 15.16 1227.8051760 1.08 1228.6168210 7.93 1229.2192380 1.92 1229.8903810 10.70 1230.9017330 11.86 1232.4445800 12.92 1233.1604000 9.12 1234.5751950 9.27 1235.6337890 10.51 1236.3125000 24.93 1237.4239500 14.31 1238.4379880 7.61 1239.2197270 7.69 1240.9560550 5.43 1241.9467770 14.84 1243.7707520 22.23 1244.9193120 14.04 1245.8344730 9.29 1246.8419190 14.17 1247.7825930 11.99 1249.1528320 11.95 1250.4075930 21.30 1251.1501460 21.42 1252.1331790 14.70 1252.8140870 43.26 1253.7518310 14.80 1254.6358640 3.29 1256.2857670 100.00 1257.2553710 15.94 1258.1346440 8.37 1258.9959720 7.90 1260.2126460 10.65 1261.1462400 2.17 1261.9437260 2.85 1263.1035160 11.44 1264.2159420 4.29 1265.0960690 8.58 1267.6423340 2.20 1282.9860840 0.47 1285.0144040 0.47 1287.9084470 0.59 1288.8737790 3.82 1294.6134030 1.60 1295.4260250 0.88 1300.9836430 7.00 1302.8327640 2.49 1312.7200930 5.36 1318.2006840 0.73 1328.2552490 1.54 1330.9130860 4.95 1336.7475590 6.96 1340.3906250 1.32 1341.8088380 1.12 1345.2695310 2.03 1347.2852780 0.88 1349.4958500 0.45 1351.3803710 2.15 1358.1313480 1.90 1362.8249510 0.91 1369.7335210 1.90 1372.5159910 3.18 1374.0076900 5.10 1376.3653560 6.43 1377.2806400 2.13 1381.5775150 0.79 1383.8005370 2.80 1384.4510500 0.87 1385.1867680 3.69 1390.8826900 3.27 1392.7032470 5.09 1396.2176510 2.37 1398.3165280 5.95 1399.2504880 4.27 1404.4464110 0.35 1406.8929440 3.03 1409.4157710 0.64 1413.8052980 2.46 1415.7996830 0.38 1418.5529790 3.63 1422.9516600 0.78 1425.7286380 5.08 1426.6424560 2.93 1427.6021730 4.33 1430.6546630 2.50 1432.2042240 7.69 1433.0504150 3.27 1433.6976320 4.77 1435.2927250 5.02 1436.0300290 0.96 1437.2015380 0.30 1438.1126710 3.41 1439.9630130 1.40 1440.7996830 9.40 1443.4217530 1.37 1444.6265870 5.56 1447.1142580 2.40 1447.9537350 9.75 1449.3137210 6.58 1449.9331050 10.93 1451.0101320 7.11 1451.7287600 5.95 1453.3309330 7.95 1454.9339600 2.65 1455.8443600 2.95 1456.9986570 5.80 1458.0924070 12.14 1459.2408450 2.30 1460.6794430 0.23 1461.8175050 3.43 1462.6597900 2.13 1463.6131590 1.38 1465.2698970 2.96 1466.6116940 16.02 1467.7371830 9.93 1468.8155520 6.24 1470.2867430 17.98 1471.9284670 2.55 1472.8209230 2.56 1473.7872310 6.28 1476.2139890 3.71 1477.4577640 11.92 1478.5223390 1.54 1479.9830320 14.86 1481.8607180 7.71 1483.3017580 4.47 1484.0438230 7.64 1484.7846680 8.32 1485.9112550 16.72 1487.0521240 0.85 1487.9215090 5.58 1488.8184810 14.94 1489.5563960 7.30 1490.9077150 17.97 1491.6340330 2.81 1492.4953610 3.25 1493.6788330 2.68 1494.5465090 9.82 1495.6712650 9.80 1496.5653080 3.21 1497.4110110 2.02 1498.1527100 3.17 1499.4088130 19.18 1500.1909180 6.41 1500.9289550 0.16 1502.5234380 27.85 1503.5189210 40.22 1504.2070310 8.94 1504.9873050 14.29 1505.8322750 8.30 1506.9676510 8.84 1507.7578120 7.11 1508.6036380 14.10 1509.8170170 17.91 1511.7155760 29.45 1512.9337160 16.58 1514.0960690 24.27 1514.8414310 11.35 1516.2777100 30.91 1517.2244870 11.01 1518.4039310 25.42 1519.2171630 6.24 1520.7998050 1.97 1521.6422120 12.11 1522.3225100 13.36 1523.0843510 4.77 1523.7409670 11.67 1525.4964600 21.32 1526.2512210 8.65 1527.1037600 5.85 1527.9884030 11.27 1529.2072750 8.73 1530.3762210 14.59 1531.7640380 6.69 1532.3726810 0.26 1533.4036870 7.89 1534.4171140 13.61 1535.3262940 20.73 1536.8591310 16.16 1537.8477780 19.61 1538.5821530 21.85 1540.0401610 9.07 1540.6917720 24.60 1541.5397950 26.61 1542.7238770 67.53 1543.7563480 4.20 1544.5822750 47.44 1545.4263920 29.43 1546.2413330 13.78 1547.4191890 11.76 1548.5052490 2.61 1549.6351320 13.41 1552.1297610 24.25 1553.6723630 2.49 1555.8499760 69.82 1556.4981690 62.14 1557.6826170 3.99 1559.3948970 8.49 1561.0246580 4.80 1563.2728270 6.67 1563.9022220 10.14 1565.7739260 3.35 1566.4384770 7.55 1567.4455570 9.03 1568.3287350 6.75 1570.0744630 20.44 1571.0477290 0.85 1571.8170170 9.10 1573.6099850 0.86 1574.2141110 3.58 1575.0531010 2.38 1580.5327150 1.99 1582.3958740 1.81 1584.4058840 1.92 1585.2257080 1.35 1592.4757080 3.16 1593.2623290 1.95 1594.6160890 0.35 1596.6300050 2.30 1598.3922120 1.67 1607.7766110 2.80 1617.8531490 4.35 1619.3101810 0.47 1624.5562740 1.63 1625.9080810 2.32 1627.4246830 1.79 1630.1419680 2.42 1637.3524170 0.56 1638.8870850 1.26 1639.5788570 0.83 1652.1386720 0.95 1661.7760010 1.05 1662.7885740 1.71 1665.6972660 0.50 1666.3212890 1.18 1678.4627690 1.84 1681.8356930 1.31 1684.3542480 2.10 1686.5208740 1.23 1687.2425540 0.96 1690.7691650 1.17 1692.2922360 2.55 1693.7049560 2.72 1700.1633300 1.09 1701.3591310 2.98 1711.2003170 3.22 1713.4256590 1.41 1719.8521730 1.46 1721.5456540 3.48 1729.9927980 0.55 1738.0168460 1.64 1747.6551510 0.50 1755.6224370 1.68 1760.4461670 0.90 1763.6947020 0.39 1766.8631590 1.56 1768.5480960 1.04 1775.2323000 4.33 1776.2077640 8.37 1781.2663570 0.93 1788.0618900 1.88 1791.2521970 0.81 1796.3605960 2.28 1796.9832760 3.46 1800.2071530 2.43 1801.8449710 4.75 1803.8029790 4.38 1809.6419680 0.36 1810.7556150 1.85 1816.5477290 0.42 1820.9813230 2.67 1821.6179200 0.28 1829.3059080 1.56 1830.2199710 0.66 1832.1458740 0.41 1837.1657710 4.34 1837.8122560 1.45 1838.4820560 2.18 1840.7292480 0.33 1842.1481930 0.59 1843.1995850 1.94 1845.2816160 1.12 1847.1134030 0.32 1848.6658940 1.88 1849.8067630 0.88 1852.0987550 2.64 1852.9168700 3.54 1857.9083250 0.30 1859.6892090 0.51 1862.7855220 1.70 1869.4842530 2.88 1873.1848140 1.42 1876.5563960 2.13 1877.8741460 1.21 1880.9827880 1.58 1885.1051030 3.93 1886.1141360 2.69 1891.6688230 3.08 1895.3724370 2.57 1896.0418700 0.46 1904.1750490 4.68 1906.2144780 0.72 1907.5550540 3.01 1908.2879640 1.17 1908.9948730 2.58 1911.2137450 1.60 1912.2508540 1.48 1912.9671630 2.52 1916.1281740 0.70 1917.3753660 2.83 1918.0021970 1.68 1918.9411620 0.68 1919.8127440 3.21 1922.8829350 1.21 1925.4508060 1.99 1926.9554440 1.12 1932.4598390 1.97 1936.3835450 7.08 1943.4753420 1.56 1945.2154540 1.39 1946.6258540 1.33 1948.7857670 3.11 1950.2141110 4.44 1955.2117920 1.81 1960.4124760 1.60 1961.9294430 11.88 1962.5881350 0.14 1968.2697750 3.56 1980.7586670 0.49 1981.8933110 7.78 1983.3197020 3.14 1984.0426030 0.61 1986.8048100 2.65 1988.0626220 2.36 1989.1322020 0.66 1990.1641850 1.77 1993.4971920 1.13 1995.2053220 3.64 1998.0852050 2.51 1999.7447510 7.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 555.1014 Annotation Unknow Peak:m/z Relative Intensity 231.9706116 0.05 248.9546204 0.03 254.0768738 0.04 256.1926270 0.03 264.0616760 0.12 265.0504761 0.08 287.1535645 0.04 294.5924072 0.07 303.1640625 0.07 306.4308472 0.05 325.1988525 0.03 329.3949585 0.20 341.3228760 0.03 345.3735962 0.02 348.0629272 0.03 354.9171753 0.11 360.9351196 0.04 374.5671997 0.21 375.3819580 0.08 382.0668335 0.06 385.0078125 0.05 393.2194214 100.00 394.4638062 0.16 395.2642822 0.09 416.6734009 0.02 418.3166504 0.03 419.1136475 0.05 420.9683228 0.15 434.1040649 0.04 441.3817749 0.20 456.9461060 0.11 459.7277832 0.08 462.4210815 0.04 465.5787354 0.02 467.0816040 0.04 470.3272095 0.08 493.5283813 0.07 495.3488159 0.02 509.0861206 0.22 510.3593750 0.13 511.3922119 0.22 516.1119385 0.04 519.4190063 0.15 522.5437622 0.08 525.5015259 0.10 534.1011353 0.05 536.6210327 0.36 537.7384644 0.52 538.5670776 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 528.27 Annotation Unknow Peak:m/z Relative Intensity 151.8185272 0.03 170.0786133 0.89 183.2026062 0.02 184.2418060 0.02 185.1156311 0.06 187.1000519 0.04 209.1707764 0.14 213.8974304 0.16 224.4728699 0.02 227.2101898 0.63 242.1792297 0.40 243.1801758 0.03 251.4893494 0.01 264.3946838 0.01 279.1625366 0.26 283.0359192 0.02 286.2927246 0.22 291.1041870 0.01 298.2783203 0.01 300.1378174 0.02 305.3138428 0.02 308.2735596 0.03 311.5059204 0.03 315.2729492 0.01 316.0773926 0.02 323.3265991 1.05 324.3473511 0.02 330.2807007 0.80 342.5200195 0.03 347.0303955 0.02 347.8038940 0.01 360.3081055 0.02 364.4981689 0.02 365.2164917 0.03 366.4091187 0.04 367.2931519 0.09 380.3708496 0.01 382.6871948 0.03 383.2893066 0.07 406.2429810 0.07 410.3129883 0.02 412.3889771 0.06 413.4185791 0.09 427.4594116 1.18 430.5480347 0.01 440.5323486 0.12 441.6027222 0.04 452.2072144 0.19 454.5520020 0.03 455.5681152 0.02 466.4950562 0.29 469.0722046 0.06 480.9935913 0.03 482.0704956 0.02 484.3269043 100.00 485.5009155 0.02 492.4163208 0.04 496.4093018 0.05 510.3806763 2.10 511.4638672 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1156.5353 Annotation Unknow Peak:m/z Relative Intensity 324.2198181 0.38 326.2872009 0.15 330.3172913 0.07 338.2200623 0.67 340.3907776 0.19 350.8519897 0.09 351.9960327 0.07 354.0766602 0.37 355.0769653 0.52 356.1621704 0.54 358.2461548 6.30 359.4087830 0.42 363.1417236 0.23 373.3604126 0.15 377.2582397 0.60 381.1470337 0.29 386.4770203 0.23 388.2538452 0.10 391.1192627 0.26 392.2689514 0.64 395.0484619 0.84 399.1998596 0.80 401.1768799 0.10 405.3432007 0.54 409.1508789 1.71 409.9758301 0.17 413.0085449 0.81 427.3482056 6.06 428.5903320 1.04 429.3753052 6.76 430.5281067 0.47 435.1051025 0.05 437.9846802 0.22 439.4055176 0.22 443.6484070 0.13 444.3297119 0.07 448.3244934 0.20 450.1749573 0.19 451.8865662 0.16 452.5585327 0.33 453.2343750 0.19 454.0946045 0.09 456.1934814 0.38 457.2260132 0.29 466.3214722 3.33 467.2543030 0.38 470.1894531 0.11 480.2565918 1.32 481.5861816 0.36 484.2026672 3.73 485.3277588 0.58 492.2758179 0.33 493.1520996 0.16 494.3802185 5.41 495.2810059 0.67 498.1859741 3.10 499.3648071 0.29 502.2322693 3.92 503.1997681 0.33 504.6399841 0.12 505.8921509 0.12 510.1625977 0.89 511.8311157 0.79 512.6234131 0.34 527.3930664 0.21 528.1707764 3.55 529.3031616 0.12 531.2625732 0.38 538.0350342 2.02 539.3436890 0.20 541.4204712 0.24 545.5213013 0.53 546.6026611 0.51 552.2181396 0.25 553.6976318 0.19 554.8412476 1.74 555.6228638 0.14 556.3968506 0.38 557.3686523 0.05 563.2999268 1.49 565.2440796 0.17 568.3892822 0.15 569.4107666 1.77 570.5031128 0.07 573.2493896 4.00 574.0922241 0.31 574.7332764 0.12 577.3065186 0.35 578.1309204 0.17 580.3118896 0.18 581.3032227 2.78 582.6422119 0.31 583.4531250 0.39 587.4581299 0.40 591.3168335 0.19 599.5021362 3.83 600.4086914 0.19 604.3876953 0.59 605.1240234 3.23 606.5612793 0.19 609.5258789 1.61 610.2337646 0.23 612.4848633 0.05 619.5430908 0.26 621.0099487 1.87 621.6752930 0.05 622.2824707 0.78 623.3694458 1.32 624.4007568 0.06 625.7647095 0.30 626.4063721 0.24 627.2635498 1.12 628.1463623 0.05 634.7573853 1.05 635.5395508 0.10 637.4855957 0.75 638.5177612 0.35 639.3162231 1.12 640.3128662 0.04 642.4375000 0.16 644.4110107 0.10 646.9373779 0.38 652.3704834 5.39 653.3638916 0.38 655.3317871 82.09 656.3967896 18.39 657.3265381 1.10 662.4050293 0.76 664.5823975 0.18 666.5684204 0.31 670.2365723 3.86 671.3714600 0.52 674.2003784 0.65 675.1290283 0.13 676.2069702 0.08 680.4842529 1.36 681.9908447 0.21 684.2502441 0.94 684.8946533 0.20 688.5067749 0.41 692.2813721 4.76 693.2731934 2.53 694.3786621 0.38 697.3009033 0.25 698.4628296 3.01 699.4061279 0.47 700.8251343 0.55 707.7776489 0.26 710.2167969 6.29 711.1697998 1.44 716.3895874 0.15 718.3501587 0.05 721.4623413 0.42 726.0844116 0.29 727.3464355 0.20 728.3828125 5.22 729.3893433 2.08 735.4052734 0.04 736.4659424 0.75 737.3291016 0.95 738.4651489 0.24 745.7233887 0.32 749.7543945 0.09 752.6746826 0.70 753.3157959 2.50 754.2807007 3.06 755.5117188 1.21 756.4647217 0.88 763.3394165 7.25 764.5279541 2.24 765.5115967 0.43 766.2991943 0.39 767.9100952 0.18 769.1136475 0.40 769.9416504 0.05 771.3491821 5.39 772.2966309 1.54 781.2850342 65.50 782.2999878 16.85 782.9509888 0.29 784.3146362 7.81 785.1815796 0.82 785.7849731 0.22 789.3480835 0.20 799.3846436 100.00 800.3604736 25.14 801.0111084 0.18 814.7969971 0.21 836.4653320 0.27 849.4322510 0.10 854.3895264 0.43 855.4553223 4.40 856.4741211 1.57 866.6212158 0.17 878.7530518 0.35 888.5013428 0.30 889.5491943 0.24 894.1923828 0.15 896.5042725 1.99 897.5744629 0.51 906.2817383 0.16 915.5885010 0.06 924.5273438 1.16 926.4876709 2.29 927.3958740 0.92 949.1055908 0.30 951.5034180 0.24 959.7025146 1.12 960.4916992 0.13 967.5938721 1.10 977.3955078 6.32 978.1817627 0.69 978.8466797 0.69 995.4519043 22.43 996.4753418 8.27 1009.2977290 0.12 1027.5258790 0.07 1046.8776860 0.22 1084.3588870 0.16 1113.9799800 0.13 1118.9260250 0.94 1120.1176760 1.42 1121.1054690 0.30 1123.9274900 0.30 1124.6330570 2.07 1125.6153560 0.21 1128.9495850 0.66 1132.2491460 0.63 1138.4160160 8.38 1139.5429690 1.82 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1012.05 Annotation Unknow Peak:m/z Relative Intensity 295.5311584 0.28 307.3078613 0.23 333.4501953 0.36 365.2629700 0.39 379.4351196 0.19 392.3585205 0.29 393.6862793 0.31 420.4033508 0.78 440.4425354 0.12 443.3082275 0.15 444.5392456 0.31 462.5027161 0.51 469.2913208 1.56 479.3847046 0.25 534.4472656 0.18 539.2038574 0.38 557.2487793 0.52 562.1654053 0.72 566.8591919 0.15 581.7379150 0.65 582.6102295 0.12 597.4205322 0.62 614.4800415 0.33 620.1609497 0.29 644.5424194 1.22 650.4329834 0.28 665.0307617 0.15 680.7540283 0.31 681.7844238 0.61 687.0869141 0.47 690.3845215 0.34 692.5861816 0.10 713.1127930 0.74 732.5400391 0.41 800.4410400 1.15 804.5029297 0.37 815.3731689 0.28 820.6015625 0.14 827.1557617 0.15 844.6494141 1.07 963.6593018 0.31 966.3879395 1.84 977.7155762 1.82 979.8898926 1.28 982.4245605 0.35 985.0051270 1.43 985.8369141 1.56 987.0527344 0.95 988.5423584 0.47 990.2165527 0.26 992.1848145 1.49 993.2575684 5.54 993.8811035 0.49 996.0268555 1.30 996.7296143 2.21 1030.2108150 1.72 1041.5596920 2.50 1044.1252440 0.43 1045.0871580 0.18 1046.8970950 0.12 1048.4589840 0.10 1054.1250000 0.16 1059.7961430 0.48 1069.2856450 0.33 1072.2850340 0.14 1076.6809080 0.36 1081.2703860 0.41 1082.2645260 0.17 1083.2928470 0.30 1083.9916990 1.87 1085.5410160 0.19 1087.1674800 8.30 1087.8308110 1.49 1093.0566410 0.41 1096.8549800 1.26 1100.6958010 0.94 1107.0979000 0.36 1109.2519530 2.95 1111.5263670 0.14 1114.9719240 1.04 1116.0524900 0.34 1116.7996830 0.14 1117.4820560 0.75 1118.4945070 2.60 1119.2709960 2.14 1121.2604980 3.92 1123.2597660 1.11 1124.0457760 1.20 1126.6516110 1.46 1127.8327640 3.87 1128.6021730 1.86 1130.3197020 0.84 1131.3466800 1.38 1132.7791750 1.85 1134.1662600 2.57 1135.1157230 4.85 1136.6738280 0.23 1137.3046880 2.99 1138.3126220 3.59 1139.2070310 0.94 1140.2974850 19.27 1141.4934080 0.36 1142.2288820 4.01 1143.2104490 100.00 1144.6008300 5.94 1145.7432860 3.04 1146.7756350 1.11 1147.6418460 3.21 1149.4744870 0.96 1150.1198730 0.58 1151.4923100 2.83 1152.8914790 6.58 1154.6020510 4.66 1156.5882570 6.54 1157.2794190 0.54 1158.5245360 1.81 1159.2633060 19.48 1160.3391110 0.93 1161.0584720 3.57 1161.9030760 0.23 1163.7083740 3.29 1164.4050290 3.21 1165.6905520 1.30 1166.7634280 0.44 1167.8310550 2.04 1168.8990480 10.03 1170.0350340 0.50 1171.9577640 2.00 1179.6583250 0.40 1189.5141600 2.27 1195.8565670 2.00 1197.5911870 2.40 1201.5400390 6.83 1208.2111820 1.40 1212.2197270 1.56 1213.2922360 3.23 1227.2995610 0.36 1230.7401120 2.31 1238.3594970 0.40 1242.8088380 1.06 1243.5944820 4.98 1245.0279540 1.54 1247.9528810 2.90 1250.0566410 0.47 1252.9909670 2.18 1255.5323490 2.79 1259.3681640 2.13 1268.8780520 1.40 1269.9134520 3.91 1271.0665280 1.10 1276.5534670 2.23 1280.8359380 0.40 1287.9738770 1.32 1289.4180910 1.74 1290.0234380 3.30 1290.7351070 1.39 1291.5251460 0.63 1292.3433840 2.49 1293.3884280 0.90 1295.4691160 0.12 1302.4969480 2.51 1304.2076420 3.04 1305.7977290 1.19 1308.4302980 1.36 1310.8132320 2.58 1312.6884770 2.68 1315.5010990 3.22 1316.4605710 1.23 1317.3709720 0.20 1318.0548100 2.08 1318.6907960 2.01 1319.4025880 0.30 1320.5367430 0.40 1322.3558350 4.09 1324.2927250 0.90 1326.3800050 4.93 1327.1168210 0.25 1329.2799070 5.34 1330.8189700 0.11 1331.9611820 2.05 1333.8548580 0.22 1337.1146240 0.31 1338.0758060 3.31 1339.6375730 0.98 1340.4576420 0.94 1342.2611080 2.77 1343.3228760 4.45 1344.0599370 0.72 1346.0970460 3.76 1348.3142090 1.74 1349.6248780 0.47 1351.1201170 2.46 1351.8068850 1.05 1352.6352540 1.33 1353.8161620 2.13 1357.0238040 0.22 1357.6717530 2.74 1358.5816650 1.37 1359.9779050 1.32 1362.8077390 2.16 1365.0916750 1.21 1369.0113530 2.04 1372.1329350 0.77 1373.5509030 5.58 1376.9281010 2.47 1377.7789310 0.30 1406.4029540 0.31 1418.6728520 1.04 1422.8165280 1.03 1423.6784670 1.85 1426.0943600 2.07 1440.1868900 1.99 1441.0183110 2.72 1445.1879880 1.41 1445.8909910 0.37 1446.5252690 0.46 1449.1231690 0.62 1450.7978520 0.36 1456.8651120 1.15 1459.5146480 0.37 1462.5328370 0.34 1469.9212650 0.38 1473.4265140 0.22 1479.0010990 0.46 1491.7343750 0.79 1492.9842530 0.37 1496.8588870 1.76 1501.0130620 1.96 1501.7314450 1.68 1502.6568600 1.08 1505.7669680 0.74 1509.8392330 0.95 1520.0028080 0.32 1529.9825440 2.60 1544.0697020 1.87 1586.8055420 2.12 1592.2127690 0.54 1595.7026370 1.77 1622.7901610 0.13 1653.6358640 1.04 1675.2249760 0.37 1676.0748290 1.35 1707.6444090 0.16 1730.2261960 0.24 1748.6846920 0.86 1764.7591550 0.46 1775.0837400 0.74 1780.6317140 0.15 1795.3045650 0.57 1799.0880130 0.62 1808.3450930 0.20 1832.6737060 0.75 1837.3317870 1.19 1847.2025150 1.71 1859.1662600 0.58 1864.3861080 0.39 1886.4489750 1.11 1902.9689940 0.90 1904.0870360 0.43 1927.0660400 0.11 1942.1092530 0.28 1945.9802250 0.31 1964.9621580 1.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 522.15 Annotation Unknow Peak:m/z Relative Intensity 183.0256958 0.11 244.1646423 0.16 254.0377350 0.09 263.0536499 0.06 277.8933105 0.79 278.5090332 0.02 292.0822754 0.06 300.1168518 0.06 314.0498657 0.96 324.3209839 0.25 330.5003662 0.18 340.3155518 0.13 342.1469116 0.05 351.4219971 0.25 352.0480347 0.16 358.1941528 1.78 359.1937256 0.13 360.3322754 0.38 361.0666504 0.12 366.1284180 0.08 368.9807129 0.14 375.8023682 0.13 385.1259766 0.07 388.4754028 0.05 395.2986450 0.17 400.2517700 0.23 402.2700195 0.04 407.7756348 0.08 420.0504150 0.19 421.0649414 0.07 426.3594360 0.03 430.1405640 0.27 431.9259033 0.08 444.2688599 0.16 447.4690552 0.06 460.1812744 1.53 462.9962158 0.08 470.4807739 0.38 474.3048706 0.28 476.0352173 0.38 477.2455444 0.09 478.2357178 0.18 479.2408447 0.11 485.3632202 0.10 486.1770020 0.11 488.3919067 0.08 504.1908569 100.00 513.9694214 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 623.2994 Annotation Unknow Peak:m/z Relative Intensity 183.2333679 0.15 187.0517578 0.13 189.1240540 0.14 196.0796814 0.18 201.1813660 0.06 202.1970825 0.35 204.3560791 0.17 208.0881653 0.06 211.0908508 0.19 214.2141724 0.16 215.2128601 0.16 217.1300049 0.06 219.0642548 0.06 221.0574799 0.24 226.2242889 0.43 229.0565338 0.57 229.9677887 0.05 231.0907593 0.12 232.0679932 0.10 233.1628723 2.96 234.1766052 0.07 235.0538025 0.16 240.1244812 0.51 241.1549377 0.19 243.2164154 0.19 250.0033264 0.03 255.0378723 0.05 259.0833435 0.06 266.1973877 0.06 267.9913330 0.71 270.0594482 0.05 271.1298523 0.03 273.1453552 0.36 283.4624023 0.52 285.2386475 0.12 286.1704407 0.09 289.1940308 0.10 295.8760376 0.10 300.1958008 0.17 307.2085571 0.26 308.3663940 0.11 310.2661743 0.31 311.2570190 0.33 311.8813477 0.04 324.1806946 0.70 325.2706909 0.24 326.0974731 0.07 334.3772583 0.10 337.2470703 0.11 339.8930664 0.04 342.0960083 1.95 344.1891479 0.56 351.5385742 0.14 354.1976318 0.30 355.1233521 0.11 358.3469238 0.40 360.0097046 1.27 360.6818237 0.03 362.2705078 1.63 363.2575073 0.17 364.1512451 0.11 368.4728394 0.04 371.9737549 0.36 373.1671753 0.04 379.1720581 0.09 381.3720093 1.13 382.1856689 0.41 388.0346680 0.13 389.4417725 0.28 396.9266357 0.19 398.2826538 0.03 399.2124023 1.09 400.2563477 0.26 411.2694702 1.36 412.4490356 0.35 414.3217773 0.27 417.2164917 0.28 418.8057251 0.11 423.5143433 0.31 424.8530273 0.11 427.9751587 1.14 431.2409058 0.11 433.9240723 0.18 441.0441284 0.08 441.6997681 0.23 442.5374756 0.06 443.7136230 0.58 445.6903076 0.23 447.6318970 0.15 452.6158447 0.24 459.1881104 0.90 460.3208008 0.18 461.2443848 0.25 462.0629272 0.43 463.2329102 0.15 467.0319214 0.16 468.4965210 0.20 469.4980469 0.11 470.6854248 0.37 471.3068237 0.75 472.5987549 0.16 473.3357544 0.14 474.7973633 0.14 475.8555908 0.54 478.3528442 0.15 480.7169800 0.17 483.3638916 3.00 484.5843506 0.92 485.3930664 0.43 487.2351685 0.27 488.0493774 0.09 489.2128906 0.48 490.5208740 0.09 491.4742432 1.11 492.5756836 0.23 493.9842529 0.11 498.5098877 3.59 499.5239258 0.27 500.5830078 0.39 502.0347290 0.29 504.9755249 0.35 507.4358521 4.86 508.4105835 0.25 511.4136353 0.18 513.5629272 1.46 514.5213623 0.02 515.2196045 0.07 516.4193115 0.45 519.8352661 0.50 522.1644287 0.06 525.4494019 1.04 526.5392456 0.05 528.4550171 0.33 530.2273560 3.04 530.9320068 0.07 533.8841553 2.13 534.6201172 2.04 535.3997803 0.37 538.9609375 10.01 539.8886719 0.48 540.6115112 0.05 541.6663208 0.20 542.8294067 23.19 543.4302979 8.57 544.3468018 0.88 545.8348999 0.06 546.4497681 0.27 548.0136108 37.68 549.1122437 0.34 550.3381958 0.19 551.2181396 1.12 552.1724243 0.32 555.2341919 0.04 557.0408325 100.00 558.0162964 5.18 558.9269409 0.02 560.6927490 1.04 561.4436035 0.07 562.0794067 0.47 562.7900391 0.08 564.3612671 0.19 566.1859741 0.63 567.1255493 0.05 568.4017334 0.20 570.1116333 0.21 571.3175659 1.00 572.3223267 0.27 577.1535645 0.32 578.9589844 0.23 580.4278564 0.08 584.4076538 0.09 585.5057373 0.38 586.8358765 0.20 587.4771729 0.06 588.3665161 0.71 593.6624146 0.24 594.5169678 0.08 596.4048462 0.75 597.2711792 0.76 598.5011597 0.67 599.1873779 0.09 603.6663208 0.99 604.5209351 0.56 605.4465942 4.28 606.1736450 0.60 607.0684814 0.22 609.3413086 0.20 610.7620850 0.21 612.4385376 0.06 614.3999634 6.33 615.0699463 3.91 615.9773560 0.35 624.9601440 0.11 625.5750122 0.25 627.4635010 0.15 636.2325439 0.29 637.3357544 0.06 641.4103394 0.19 642.3667603 1.06 643.4832764 0.16 645.4901733 0.22 653.4265747 0.22 654.4630737 1.07 655.4835205 0.77 663.5600586 0.10 666.1849976 0.14 669.3822632 0.04 671.5584106 0.12 672.7107544 0.06 674.2603760 0.50 684.1610718 0.34 685.7736206 0.12 687.2597656 0.35 691.2509155 0.04 696.3203125 0.23 699.3126831 0.17 702.4794312 0.50 706.1604004 0.09 712.3778687 0.25 713.7387695 0.30 714.7245483 0.12 717.4200439 0.09 722.5200806 0.10 723.2761230 0.19 724.5798950 0.05 725.6118164 0.35 728.2304688 0.14 732.3458862 0.44 735.6914673 0.08 737.6106567 0.05 740.3618164 0.09 741.5316772 0.34 743.3086548 0.11 746.5978394 0.05 753.4219360 1.85 754.5471802 0.35 755.5313110 2.08 756.4754028 0.84 757.3588257 0.24 758.6553345 0.09 775.3630981 0.04 782.3565063 0.89 783.8810425 0.30 784.6539917 0.12 791.4121704 0.13 795.7664185 0.26 797.4024048 0.07 798.0159302 0.31 800.0485229 0.24 803.4427490 0.09 806.2826538 0.15 810.7116089 0.06 820.5791626 0.03 822.7026367 0.12 827.7651367 0.13 829.4359131 4.44 830.5292358 1.10 831.5906372 0.07 832.6233521 0.32 838.5603638 0.07 840.5300903 0.17 842.0504761 0.12 842.7392578 0.04 848.5471802 0.15 853.1179810 0.91 854.3085327 0.87 856.5664062 0.06 861.5997925 0.25 867.6221313 0.08 868.8821411 0.63 869.7097168 0.17 870.6721802 0.71 882.9077148 0.34 884.5297241 5.27 885.5881958 4.27 886.5192261 5.07 887.5601196 2.06 888.4782715 0.21 889.2722778 0.03 898.8345337 0.14 916.6000977 0.24 919.1447754 0.07 921.3579102 0.05 926.7028809 0.17 931.3450317 0.04 934.5829468 0.09 935.3500366 0.06 938.4096680 0.35 939.1598511 0.24 945.3146973 0.17 950.2309570 0.04 957.4418335 1.33 958.2271118 0.40 958.8672485 0.07 963.7614136 0.11 964.5059204 0.15 965.9024048 0.47 966.5981445 0.22 967.8828735 0.34 968.5334473 0.09 969.5675659 0.32 977.6432495 0.08 978.5327148 0.17 979.3494263 0.07 981.5234375 1.37 982.4030151 0.36 984.6350708 0.14 985.4225464 0.11 988.8845215 0.12 995.7082520 0.24 996.7734985 0.48 998.1325073 0.19 999.7268066 0.69 1001.1054080 0.19 1003.2177730 0.19 1009.6644900 0.08 1010.5907590 0.14 1013.5322270 17.13 1014.5460820 8.89 1015.4990230 1.41 1025.6713870 0.06 1031.5620120 0.18 1041.4375000 0.09 1080.7729490 0.19 1086.5433350 0.07 1098.9995120 0.15 1100.7746580 0.14 1101.6918950 0.35 1102.7513430 0.23 1112.5744630 0.68 1113.4614260 0.69 1116.6317140 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1107.56 Annotation Mycaloside K Peak:m/z Relative Intensity 345.1451416 0.27 348.7985535 0.74 365.4568481 0.44 367.2460938 1.08 384.9282227 0.55 422.9078674 0.34 427.7632751 0.33 436.6771851 0.78 438.3618774 0.18 453.6756592 0.15 455.0262451 0.21 460.2661438 0.49 462.4026184 0.35 466.3302002 0.12 473.3224792 0.28 481.3073120 1.06 494.5632324 0.32 495.4529724 0.65 497.4489746 0.65 498.7712402 0.90 500.3911438 1.01 502.7254944 0.20 505.6003723 0.30 514.6300049 0.53 515.2784424 0.19 525.5354004 0.23 528.5021973 1.29 531.5736084 0.55 535.1251221 0.43 536.0926514 0.29 547.2761230 0.56 552.3515625 0.38 563.0141602 0.93 564.3808594 0.85 569.4832764 0.79 578.0238037 0.37 580.6934814 1.47 584.1193848 0.39 591.2722778 0.29 594.3336182 0.21 596.4293213 0.88 597.6185303 0.96 610.3731689 0.69 613.3354492 0.46 614.4982910 0.19 621.9052734 1.43 629.9923096 0.96 633.7081299 0.20 635.3927002 0.24 646.1036987 0.43 650.0938110 0.32 656.3161011 0.32 657.3831787 0.48 658.7982178 0.52 660.5559692 1.06 664.3039551 0.33 666.7448730 0.79 668.8773193 1.54 678.2259521 0.62 679.4772949 0.61 680.0791626 1.36 681.4890137 2.50 684.3221436 0.36 686.2485352 0.75 688.2175903 0.60 689.7165527 2.09 690.4301147 1.70 691.0751953 0.84 700.5758667 0.36 705.3417969 0.45 709.0820923 1.21 710.1975098 1.79 716.7770996 2.14 717.7781372 1.15 719.4438477 0.12 722.4174805 0.35 723.4894409 0.60 730.7813721 1.69 731.5820923 3.50 736.6057129 1.10 739.6997070 30.07 740.6443481 4.02 741.3870850 0.88 746.2404785 1.21 749.4949951 0.24 750.8907471 0.88 752.4155273 0.86 753.1989746 1.31 762.6752930 2.69 763.8582764 0.62 768.5334473 0.71 772.3085938 0.33 782.6499634 0.24 786.9105225 1.80 788.4450684 1.02 794.4201050 0.18 795.0504761 0.49 796.6784668 0.36 798.2205200 0.50 802.7562256 0.30 803.4552002 0.62 804.1290283 0.25 808.0858154 0.16 809.4698486 0.98 816.7412109 0.74 824.5832520 1.30 825.5249023 1.37 826.4790039 2.43 827.2592773 0.73 833.3568115 1.23 834.5412598 0.25 840.2779541 0.43 842.5250244 0.84 848.5816650 0.37 849.7114258 0.25 854.8347168 0.80 859.4453125 0.55 862.6187744 0.44 869.0157471 0.48 872.6271973 0.79 873.7639160 0.14 876.6348877 0.26 879.9482422 0.32 893.5382080 0.76 897.6785889 1.80 900.7955322 3.00 907.2836914 0.95 915.1777344 0.65 917.5045166 1.07 918.4516602 0.31 924.4010010 1.67 925.4353027 0.23 927.4460449 0.52 929.6104736 0.24 932.6185303 0.52 935.5797119 0.61 939.3173828 0.37 942.8991699 4.55 943.5665283 0.63 944.3383789 0.24 947.7036133 0.41 948.3402100 0.52 949.3679199 0.83 953.4832764 0.15 954.8558350 2.90 955.6181641 0.31 956.6296387 0.13 967.5814209 0.50 969.3543701 2.68 969.9836426 1.93 971.3232422 0.25 972.4656982 0.19 973.6512451 0.21 975.1362305 1.72 978.5263672 3.33 983.6367188 0.78 985.7258301 1.29 989.6242676 36.15 990.5664062 17.41 991.7950439 1.26 994.4223633 2.59 995.0537109 1.13 995.9462891 1.14 996.6518555 0.74 997.3754883 1.45 998.8547363 0.49 1000.7592770 2.19 1001.6660160 0.45 1002.9885250 0.22 1004.5639650 1.74 1005.5709230 10.84 1006.2114260 15.26 1007.2469480 3.87 1009.0791020 0.27 1010.8499760 0.68 1012.7467040 1.61 1015.0112300 3.79 1015.8654790 1.92 1017.2897950 3.85 1018.1929930 1.19 1019.9145510 2.40 1020.6909180 1.95 1021.9204100 1.87 1023.9536130 5.57 1025.8297120 1.61 1027.0810550 2.03 1027.8133540 0.54 1031.7166750 1.70 1035.0280760 8.04 1035.7919920 4.56 1037.0349120 0.48 1039.8421630 6.39 1041.2800290 9.70 1042.0821530 4.29 1045.3037110 1.13 1046.2451170 8.97 1047.0454100 6.31 1049.5606690 6.47 1050.7393800 25.60 1052.0415040 9.78 1052.8886720 2.76 1053.7568360 3.67 1054.7351070 1.09 1056.2193600 0.59 1057.7346190 0.51 1060.6898190 0.64 1063.0522460 2.19 1064.2592770 2.06 1065.5649410 1.14 1066.6489260 7.59 1067.7272950 0.47 1068.9924320 4.68 1070.6821290 3.96 1073.3496090 8.41 1074.4777830 12.92 1077.4870610 15.80 1078.2872310 12.04 1079.1018070 1.75 1079.7768550 2.82 1081.4652100 9.77 1082.1744380 21.12 1082.8122560 24.21 1083.7841800 3.50 1084.4454350 0.68 1087.7847900 4.12 1089.6456300 2.14 1090.2666020 1.89 1091.9895020 53.88 1092.6921390 8.55 1093.6213380 2.21 1094.6666260 6.53 1095.9436040 12.39 1096.9888920 7.17 1098.7154540 6.83 1099.5554200 1.85 1114.8227540 1.24 1115.9824220 1.19 1120.3791500 0.50 1121.7677000 2.96 1123.7164310 0.29 1124.8239750 2.64 1125.8688960 12.32 1126.7835690 5.37 1129.0395510 1.36 1132.4780270 1.92 1133.7258300 1.77 1135.4863280 5.61 1140.4323730 12.08 1142.7352290 1.06 1144.1064450 3.42 1146.4914550 100.00 1147.3739010 9.02 1148.2231450 1.28 1149.5590820 2.78 1150.5285640 1.20 1151.5589600 3.48 1153.1878660 2.89 1156.3796390 0.34 1157.2647710 0.48 1164.4868160 1.01 1165.2106930 1.03 1166.3345950 2.82 1172.8481450 1.04 1173.6547850 1.78 1179.2727050 7.91 1180.2282710 9.29 1181.4478760 1.59 1182.8302000 0.27 1185.1679690 2.33 1186.8054200 1.32 1191.0285640 0.43 1191.7977290 12.71 1192.8103030 4.51 1193.8021240 0.15 1194.4353030 0.37 1195.5582280 0.54 1201.4992680 21.50 1202.1689450 4.88 1203.5152590 1.17 1210.8918460 0.73 1212.3780520 1.08 1214.2701420 2.18 1215.3680420 2.29 1216.2104490 0.80 1216.9267580 0.17 1221.3839110 0.11 1222.3009030 0.88 1225.9106450 1.92 1227.2760010 3.27 1229.2369380 1.93 1230.3748780 0.36 1233.9919430 11.44 1234.8348390 0.59 1235.7404790 1.57 1236.5919190 3.12 1237.7864990 0.62 1239.6878660 4.41 1240.4711910 5.12 1243.2771000 1.24 1244.8546140 1.84 1249.9362790 0.76 1259.4133300 1.20 1261.5009770 0.30 1269.8068850 0.80 1270.7292480 2.60 1271.6763920 2.61 1272.3221440 0.55 1274.5656740 1.32 1277.3564450 3.24 1279.2684330 2.06 1280.1099850 0.31 1280.8386230 0.18 1282.5019530 12.81 1283.3535160 8.15 1284.0217290 1.96 1285.5032960 1.42 1286.6032710 2.80 1288.4947510 3.97 1289.3679200 2.62 1291.1186520 0.69 1294.8117680 5.35 1296.0133060 1.51 1298.5520020 0.18 1301.5084230 0.23 1303.3862300 0.61 1304.4301760 0.42 1305.2180180 2.43 1305.8413090 1.06 1306.5644530 0.92 1309.3266600 1.99 1310.1226810 3.89 1311.1286620 0.30 1314.2032470 0.96 1316.0506590 9.30 1316.9737550 0.61 1318.1317140 2.05 1318.9681400 0.82 1319.7498780 0.83 1320.9034420 1.93 1326.2895510 1.80 1328.3085940 0.60 1329.7203370 0.81 1334.8702390 3.85 1335.9783940 1.08 1338.7191160 1.93 1339.7143550 2.27 1342.4337160 0.80 1344.3693850 3.44 1345.3868410 0.36 1346.8314210 2.48 1348.7712400 0.35 1349.4516600 2.45 1350.3541260 1.11 1352.4639890 1.61 1353.1970210 3.26 1353.9346920 3.46 1358.7285160 7.59 1359.5966800 3.07 1360.2713620 1.21 1361.5631100 11.39 1362.4534910 3.51 1363.2863770 2.59 1363.9691160 1.68 1365.2982180 1.06 1368.5401610 0.99 1370.3428960 1.74 1372.1596680 1.21 1374.4161380 1.41 1376.5877690 2.61 1377.8983150 2.11 1381.5081790 1.41 1383.9316410 1.09 1386.5621340 1.01 1387.2589110 0.45 1389.8035890 2.71 1394.2054440 0.48 1395.3325200 1.31 1396.4704590 0.83 1398.6334230 3.43 1399.4132080 1.53 1401.9730220 1.94 1406.1918950 0.93 1409.2039790 1.08 1410.1021730 2.38 1411.1213380 2.06 1412.4200440 3.02 1413.3040770 0.65 1415.9948730 2.85 1418.8426510 0.36 1423.5252690 1.19 1431.2089840 2.80 1432.4820560 5.08 1433.7983400 2.09 1438.3481450 1.48 1441.2828370 1.05 1444.0850830 1.50 1444.7515870 1.50 1445.6854250 1.86 1452.0808110 0.19 1453.0865480 9.12 1454.0042720 7.03 1454.8873290 2.85 1457.8126220 0.66 1459.5120850 0.79 1460.4957280 2.65 1461.5347900 0.90 1462.3216550 0.50 1466.2515870 1.97 1467.3658450 2.49 1472.0913090 0.77 1474.6073000 17.31 1475.3922120 21.78 1476.3001710 3.76 1477.5472410 1.19 1478.2008060 1.00 1479.8726810 0.48 1487.8820800 0.62 1489.3258060 0.80 1491.0999760 0.51 1494.6824950 1.60 1498.6544190 0.24 1503.8323970 4.78 1505.0516360 3.38 1506.0760500 0.42 1508.7596440 2.28 1510.7385250 3.46 1514.7771000 0.29 1515.7244870 2.55 1516.9841310 3.88 1517.7742920 1.37 1518.8305660 2.34 1523.7550050 1.30 1524.7110600 3.78 1525.7113040 1.61 1528.3935550 1.60 1531.3266600 0.93 1534.2836910 0.22 1536.9739990 1.61 1540.3800050 0.78 1541.1151120 0.21 1543.6451420 2.87 1544.3392330 1.19 1549.5599370 0.28 1553.3215330 0.46 1558.0144040 0.71 1573.0216060 0.20 1573.6712650 1.56 1582.4520260 0.53 1584.6058350 1.02 1587.0953370 2.77 1599.1188960 0.24 1601.9881590 0.43 1602.7856450 0.40 1607.9373780 0.31 1614.9675290 0.70 1615.9617920 0.42 1621.8909910 0.58 1630.8214110 0.32 1631.7972410 1.70 1638.8719480 0.55 1645.9757080 0.72 1656.8635250 0.30 1672.7731930 1.43 1673.8278810 0.60 1696.5762940 0.88 1703.6319580 0.30 1706.4290770 0.93 1722.4534910 1.29 1727.0554200 0.12 1728.6961670 1.66 1729.7603760 0.34 1743.3304440 1.53 1744.0505370 0.74 1809.4284670 1.67 1879.4317630 1.02 1880.5563960 1.36 1910.0085450 0.78 1930.9938960 1.20 1941.1926270 0.54 1958.6768800 1.42 1959.2772220 0.70 1960.2139890 0.68 1961.2613530 0.43 1964.4281010 0.82 1985.0133060 0.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 794.2617 Annotation Unknow Peak:m/z Relative Intensity 233.1209412 0.32 238.1383514 0.20 244.8654480 0.04 251.2128601 0.13 258.7000122 0.18 264.8874512 0.11 269.2700806 0.19 270.0369873 0.08 287.0143433 0.11 288.4597168 0.12 289.0887146 0.14 289.8420715 0.05 303.1022339 0.06 304.9819336 0.25 307.9366760 0.38 310.0131226 0.06 314.0699158 0.18 315.4035645 0.13 323.1716919 0.61 324.3158569 0.08 329.3253784 0.11 341.0433350 1.43 349.9849243 0.07 359.0813599 0.05 362.0091553 0.04 374.5639648 0.13 378.0618286 0.09 384.9167480 0.24 386.3563843 0.19 387.3493042 0.09 394.0935669 0.12 395.1137695 0.14 395.9796143 0.03 397.3733521 0.05 398.1956787 0.81 416.1911011 2.74 425.5538940 0.20 426.5019531 0.15 434.1131592 2.13 437.2501221 0.29 441.3482056 0.06 443.6159668 0.37 448.8656006 0.10 452.2670288 6.22 458.2351685 0.24 461.2569580 0.07 468.5228271 0.05 470.2126465 6.79 475.0451660 0.05 484.5577393 0.22 485.2634277 0.33 486.0693359 0.05 486.8305054 0.25 490.9633179 0.06 502.3189087 0.15 503.2180786 1.42 506.2836304 0.28 507.3075562 0.05 512.2035522 0.22 514.4038086 0.25 516.8986206 0.20 518.0864258 0.08 524.0498047 0.09 524.6901245 0.03 530.0617676 0.07 532.1668091 0.07 534.2792969 0.26 539.5623779 0.08 541.7086792 0.09 545.1517944 0.20 546.1864014 0.05 548.3125610 0.04 551.4335327 0.20 552.7988892 0.21 553.4795532 0.04 560.2560425 0.60 565.9119263 0.04 573.4860229 0.05 575.5617065 0.06 576.3121948 0.09 577.7079468 0.85 578.3125000 2.53 579.4933472 0.34 581.2667847 0.15 593.3030396 0.05 596.2265015 5.52 598.1420898 0.13 606.1790161 0.13 614.1690063 25.42 614.9573364 0.27 617.1392822 0.13 627.4828491 0.07 629.3839722 0.05 632.1900024 100.00 632.8467407 0.35 636.4951782 0.09 637.8253784 0.23 639.7828369 0.35 642.1560669 0.05 645.5624390 0.15 646.8815308 0.80 647.6422729 0.34 650.4391479 0.87 659.4059448 0.14 664.0462036 0.13 665.3173828 0.43 668.2687378 0.07 671.9129639 0.23 677.8417358 0.33 678.8688354 0.06 679.6142578 0.04 684.2899780 0.09 687.2053833 0.53 689.4743042 0.40 694.8043823 0.58 698.4048462 0.06 701.3187866 0.19 703.7716675 0.08 706.1486206 0.08 707.9804077 0.11 709.4506226 0.06 713.9288940 0.27 717.2286987 0.70 719.1924438 0.74 719.9168701 0.31 720.9767456 0.06 722.1626587 0.05 727.0116577 0.25 728.2922974 0.37 729.3113403 0.17 731.3330078 0.06 733.6746216 0.82 734.9799194 0.22 736.5087280 1.02 737.7957764 0.14 740.2019653 0.53 742.3463745 0.08 744.7426758 0.34 748.1040649 0.33 749.7001343 0.49 752.6430054 0.47 754.0060425 0.47 755.1602173 0.11 757.4984741 0.47 758.4213867 1.40 760.3061523 0.13 764.0399780 0.51 767.4981689 0.10 769.6712036 0.20 770.2962646 0.03 774.3878784 0.19 775.6906738 0.58 776.2928467 6.92 782.1852417 0.55 785.0400391 0.05 787.9730835 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 765.3677 Annotation Pastuchoside A Peak:m/z Relative Intensity 217.0751801 0.07 219.2422028 0.41 241.0350342 0.17 245.1489716 0.19 246.2368927 0.03 259.1085815 0.03 272.2590027 0.11 282.1409302 0.02 289.1192322 0.05 290.2635498 0.03 291.2858887 0.06 297.2040405 0.09 298.1328735 1.23 299.3327942 0.09 300.0899963 0.16 309.3138733 0.05 312.0220337 0.07 315.0033875 0.07 316.0388489 0.80 317.1327209 0.09 318.4385376 0.03 329.4138794 0.32 330.2919312 0.47 335.1758423 0.08 344.4696045 0.18 351.4144287 0.05 353.5473938 0.11 361.1414795 0.11 366.2777710 0.05 369.3375854 0.11 370.6474609 0.03 371.5788574 0.09 377.2289429 0.05 385.4246826 0.19 391.3890381 0.03 397.1958618 0.70 398.2133789 0.29 400.9603882 0.33 415.2906494 0.55 416.5356445 0.18 423.1418457 0.07 424.0877686 0.12 426.1836548 1.96 427.0368652 0.36 429.3538818 0.49 441.1430054 0.04 444.1426392 5.67 445.2155151 0.89 450.7583008 0.05 452.1753540 0.07 453.2732544 0.40 454.2099609 0.17 455.4276123 0.16 458.2130127 0.14 461.2587891 0.13 468.3685913 1.52 469.4194946 0.23 470.2521362 0.11 471.6065674 0.33 472.2606201 0.41 475.0198364 0.04 480.2067871 0.07 482.3082275 0.52 486.3720093 0.19 487.1334229 0.03 490.3968506 0.45 498.5582886 0.06 499.4147339 0.05 500.0949097 0.38 501.5028076 0.14 504.2921753 0.23 512.4102783 0.25 515.4581299 0.13 516.2424927 0.07 522.6029053 0.14 525.5151367 0.98 526.3259277 0.03 531.5211792 0.09 532.5584106 0.22 539.4340820 0.10 540.1346436 0.12 541.5878296 0.29 543.3746338 2.74 544.2892456 0.39 548.1336060 0.17 551.3662720 0.03 553.4280396 0.05 557.2972412 0.37 558.2797241 0.06 567.3989258 0.11 569.0838623 0.43 571.3144531 1.51 572.4923096 0.05 577.4172363 0.11 580.3994751 0.06 582.3954468 0.05 583.9005737 0.33 585.1256714 0.76 586.2660522 0.32 587.2813110 0.05 590.7085571 0.22 591.8782349 0.76 592.5239258 0.03 596.4331665 0.75 597.2428589 1.30 598.6134644 0.60 599.6633911 0.34 602.5341187 0.46 603.2713623 1.09 606.3633423 0.28 607.6105957 0.43 608.3513794 0.35 609.0707397 0.14 612.3724365 0.59 613.5267944 0.11 614.2467651 2.87 615.3602905 0.94 618.2846069 0.03 619.3707275 0.70 620.9531860 4.09 622.2295532 0.07 623.3584595 0.43 625.5402222 0.14 626.4922485 0.77 627.2466431 0.36 629.5505981 0.05 631.7265015 0.27 632.4304199 0.20 633.1669312 0.46 634.3623047 0.57 636.3883667 0.11 639.7315674 0.38 641.5926514 2.73 642.3205566 1.00 643.5824585 0.35 644.7186890 0.09 645.4423828 0.05 647.2916870 0.77 647.9432983 1.63 648.8165283 0.14 649.5883789 0.63 652.1270142 0.21 654.7056885 0.07 656.5548706 30.37 657.6801147 1.56 658.5073853 0.38 659.6054077 0.06 660.4203491 0.07 661.7748413 0.60 667.5897827 0.53 668.7926025 0.57 669.8912964 0.51 670.5561523 4.04 671.5095215 1.16 672.6292114 0.20 676.4177246 0.08 681.2557983 0.10 683.2108765 3.49 684.2271118 0.94 685.2924194 1.16 686.3587036 0.47 687.0025024 0.41 688.1920166 0.15 688.9107056 0.07 690.3201294 1.11 692.0187378 6.52 693.2009277 0.12 695.7713623 0.25 697.1282349 7.90 698.3276978 0.43 699.3387451 0.20 700.7455444 0.09 701.4146118 0.04 702.4265137 0.26 706.0042114 100.00 707.1868896 2.39 708.0751343 0.61 709.2327271 0.65 710.0221558 0.25 711.6808472 0.10 712.4387817 0.42 713.4830933 0.06 714.8929443 0.12 715.5226440 0.28 716.3042603 0.08 721.0857544 0.18 722.9740601 0.06 725.1132202 0.18 726.3970947 3.20 727.5274658 0.61 731.0181274 0.07 740.1940308 0.14 741.3623657 3.39 742.0542603 0.06 742.9862061 0.16 744.2144165 0.11 745.3086548 0.11 747.2053223 0.98 748.1793823 0.29 749.5007935 1.46 755.3471680 0.08 756.6033936 5.16 757.5023193 0.31 768.2907104 0.05 769.0226440 0.09 779.4824829 0.30 782.2194214 0.11 785.3041992 0.45 786.6585083 0.32 789.3098755 0.51 796.6311646 0.45 797.3489990 3.32 798.4475708 1.35 799.3776245 0.41 800.3707886 0.32 811.8423462 0.31 814.4271851 0.76 815.4326172 1.84 816.1785278 0.09 821.3719482 0.10 822.1456909 0.41 823.7653198 0.15 832.9465942 0.02 840.3421021 2.23 841.1727905 0.39 841.7904053 0.35 844.4780884 0.17 845.3307495 0.14 846.3442993 0.16 847.0273438 0.07 850.4109497 0.22 853.6908569 0.04 854.3638306 0.21 859.8383179 0.15 863.0521240 0.04 868.4024048 4.82 869.5033569 1.44 870.3711548 0.05 871.1745605 0.16 874.3046875 0.63 881.8303833 0.14 882.4461060 0.16 883.5042114 0.03 886.2814331 0.45 887.3446655 0.06 888.8188477 0.15 889.8649902 0.08 893.4140625 0.18 896.4526978 0.06 902.7648926 0.24 906.9060059 0.13 911.4558105 1.67 912.5476074 0.83 914.3970337 0.44 915.1821899 0.13 916.3091431 0.08 918.4487915 0.53 925.7273560 0.56 939.5278320 0.86 940.6157837 0.07 943.4519653 1.11 944.2812500 0.25 949.5652466 0.21 955.2954712 0.16 959.2902832 0.69 959.9880371 0.28 967.4089355 12.59 968.4540405 5.40 969.5477905 0.17 972.9411621 0.06 982.4306641 0.88 983.3271484 0.20 984.3046875 0.09 985.3380737 1.17 986.6320190 0.06 989.8995972 0.43 995.4757690 0.04 996.6223145 0.13 997.4642944 0.33 998.8290405 0.11 1002.1352540 0.19 1002.9489140 0.03 1010.8695680 0.13 1013.8488160 0.28 1014.4680180 0.82 1015.5517580 0.65 1037.4787600 0.03 1038.8330080 0.32 1040.3695070 0.93 1040.9702150 0.06 1041.5976560 0.09 1054.4702150 0.13 1055.4804690 0.05 1059.8498540 0.09 1067.5354000 0.04 1068.4349370 0.51 1069.5590820 0.18 1076.9355470 0.43 1081.6221920 0.30 1082.5429690 0.99 1083.6569820 0.12 1086.7115480 0.94 1087.5421140 0.23 1093.5187990 0.10 1095.4904790 0.41 1096.3681640 0.12 1110.4201660 0.05 1111.8046880 0.49 1112.8037110 0.65 1113.5725100 1.76 1114.5512700 0.18 1134.7084960 0.04 1152.4592290 0.29 1153.6002200 0.38 1154.2585450 0.14 1165.5145260 0.06 1168.1339110 0.22 1168.7927250 0.16 1169.7438960 0.87 1170.5864260 0.34 1183.2897950 1.46 1183.9329830 0.07 1184.5483400 1.56 1192.9739990 0.08 1195.5445560 0.15 1196.5432130 0.10 1210.6712650 0.15 1211.5168460 1.14 1212.4628910 0.47 1213.3743900 0.05 1214.6379390 0.55 1220.7520750 0.04 1226.1857910 0.14 1240.5920410 1.38 1241.5714110 0.78 1242.6975100 0.11 1243.5947270 0.13 1247.1090090 0.12 1257.9603270 0.11 1264.5953370 1.56 1265.7808840 0.67 1267.0142820 0.11 1268.5074460 0.10 1278.9311520 0.21 1282.5057370 13.34 1283.6380620 6.87 1311.6373290 8.53 1312.6463620 2.02 1313.4864500 0.43 1336.6843260 0.03 1369.4428710 0.22 1370.5372310 0.20 1410.6153560 0.50 1411.7673340 0.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 428.2491 Annotation Unknow Peak:m/z Relative Intensity 127.1539001 0.01 129.1150665 0.08 130.0292358 0.04 131.1668243 0.02 136.0251465 0.15 143.9683228 0.25 145.1550446 0.02 145.9462585 0.11 147.0273895 0.14 151.9314880 0.01 161.1272125 0.84 162.1494141 0.03 164.8744659 0.01 169.3200378 0.05 171.7349548 0.01 173.7630615 0.21 174.9100647 0.02 176.3199615 0.02 176.9532471 0.01 179.1436462 0.13 180.1458435 0.04 181.0458679 0.16 183.2127533 0.01 187.1039124 0.14 191.2442932 0.02 193.0803223 0.01 194.1771698 0.06 195.3462372 0.03 196.0525665 0.01 196.9870911 0.02 198.1512146 0.04 201.0875549 0.14 202.1843719 0.03 207.1963348 0.02 210.6613770 0.01 212.0576172 0.04 213.1866150 0.04 213.9841156 0.03 216.1971893 0.01 217.1656036 0.07 218.2019501 0.01 222.1651611 0.03 223.3066254 0.02 223.9389343 0.02 224.9139709 0.01 226.1730499 0.04 227.3823547 0.01 228.3264618 0.02 235.2674866 0.01 235.8782043 0.04 240.1871643 0.17 241.1918945 0.77 243.0742493 0.04 244.1062927 0.18 245.3432617 0.07 246.0469360 0.02 249.0762329 0.09 251.4825439 0.11 256.1029358 0.02 258.1282654 100.00 258.7685852 0.12 259.8492737 0.09 260.5128479 0.01 262.1341858 0.01 263.1197510 0.06 264.1430664 0.02 265.6658936 0.02 266.2951660 0.04 267.0840759 0.01 268.0822449 0.12 269.0722046 0.04 271.6799927 0.03 273.9501038 0.02 276.6682434 0.06 281.9230957 0.13 283.1766663 0.07 284.7984314 0.01 286.1675415 0.17 287.6355286 0.01 292.9090576 0.02 294.3681641 0.01 297.2879639 0.10 298.9589233 0.44 302.1530457 0.05 306.0934448 0.04 306.9478149 0.11 308.0646667 0.05 310.5590210 0.14 315.0141602 0.01 317.6698914 0.05 318.4783630 0.04 321.2211609 0.03 322.0797424 0.02 325.3095703 0.06 326.1424561 0.02 329.2086182 0.06 330.2955933 0.13 330.9280701 0.01 335.0214233 0.08 335.8273315 0.08 336.8495483 0.03 338.4908752 0.01 339.1697693 0.20 341.0675964 0.07 343.3797302 0.03 345.5059204 0.03 348.4376526 0.06 350.9465332 0.11 352.7561951 0.09 353.9120483 0.06 354.6048584 0.03 356.0924683 0.02 357.8676758 0.01 361.3078918 0.02 362.3691406 0.02 363.6540527 0.60 364.4821472 0.38 366.4002686 0.02 367.3034363 0.02 368.0835571 0.07 369.6998901 0.68 370.6857910 0.07 372.2330627 0.10 373.2987671 0.33 374.5537109 0.05 375.6893005 0.09 377.4031677 0.04 378.2861938 0.02 379.0437927 0.18 381.3179626 0.12 382.4049988 0.09 383.1486511 0.11 384.9787598 0.07 388.3402710 0.08 388.9986267 0.09 389.8022766 0.03 390.5637512 0.08 392.6811829 0.04 393.4834900 0.02 394.4637756 0.24 395.1603088 0.03 396.2584534 0.14 397.2428589 0.05 398.0312195 0.08 398.6521301 0.03 399.2627869 0.01 400.2750549 0.02 401.2756958 0.02 402.4545288 0.03 404.4551697 0.16 405.6040344 0.10 408.1745911 0.04 409.4839783 0.07 410.3181458 0.26 411.6212463 0.27 412.5291748 0.03 413.5347900 0.12 415.7081604 0.21 416.4591370 0.26 417.3640137 0.08 419.2110901 0.79 420.0421448 0.12 421.5420227 0.83 422.9462891 0.15 431.7376404 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5962 Annotation Unknow Peak:m/z Relative Intensity 407.1968994 0.01 423.5639648 0.04 443.5442810 0.07 467.3290405 0.29 468.2142029 0.02 485.4874573 0.04 487.3522339 0.02 501.6126099 0.04 603.5089111 0.11 605.2109375 0.02 605.8499146 0.10 630.2434692 0.07 631.4219971 0.49 647.4166260 0.08 649.4782104 3.08 650.5444336 0.51 655.5231934 0.05 663.8507690 0.02 767.7681885 0.04 768.5192261 0.06 769.4851685 0.02 770.6814575 0.14 793.4631348 0.63 794.4565430 0.27 798.4282837 0.06 806.4804688 0.02 809.5546875 0.93 811.5241699 100.00 812.5858154 16.43 831.3471680 0.14 853.5067139 0.65 854.4305420 0.40 868.1687012 0.06 893.4914551 0.08 894.4741211 0.09 955.8636475 0.06 982.1958008 0.02 1015.6295170 0.03 1029.1320800 0.04 1044.7965090 0.04 1052.3498540 0.02 1087.7657470 0.02 1117.6107180 0.01 1135.4998780 0.33 1143.4868160 0.06 1164.7351070 0.06 1173.6206050 0.07 1196.6756590 0.09 1218.4436040 0.08 1235.8339840 0.34 1239.8723140 0.10 1245.5821530 0.08 1257.5314940 0.18 1261.5585940 0.28 1262.4750980 0.04 1264.2257080 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 710.65 Annotation Unknow Peak:m/z Relative Intensity 206.7279510 0.26 290.8991089 3.29 374.6084595 1.25 456.1269531 0.08 458.5321045 17.57 459.1761475 0.05 496.6130981 0.05 506.7389526 0.03 542.5187378 100.00 543.2658691 0.23 544.4480591 0.36 558.0775146 0.06 574.3339233 0.25 574.9517822 0.11 580.9690552 0.28 590.5658569 0.14 604.5053101 1.96 616.7563477 0.03 620.5422974 0.04 623.8433228 0.36 625.8856812 4.50 626.5903931 20.77 634.0797729 0.09 646.5781860 0.60 650.6513062 0.70 651.2735596 0.06 664.0879517 0.84 664.7681885 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 438.1336 Annotation Unknow Peak:m/z Relative Intensity 127.1993713 0.02 128.1041412 0.06 143.0065155 0.23 145.0328979 0.07 146.1181030 0.02 160.0663757 0.29 166.0688171 0.05 169.2864075 0.01 170.9544373 0.03 177.0404663 0.53 179.0863647 0.50 184.9930420 0.13 210.1956329 0.35 213.0281982 0.02 228.1890411 0.07 231.1176453 0.07 242.0759888 0.01 254.1041870 3.94 272.1636963 5.85 288.1636963 7.39 306.1068726 100.00 344.8805542 0.04 394.3639832 0.01 395.0996399 0.01 420.1665344 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 667.1871 Annotation Nevadensin 5-gentiobioside Peak:m/z Relative Intensity 209.1946106 0.02 227.1765900 0.02 230.2165222 0.06 231.8966064 0.03 272.0145874 0.10 277.9013672 0.04 297.4117432 0.07 315.5110474 0.02 326.2369385 0.02 327.1640625 0.04 341.1567383 0.19 342.3684082 0.09 343.1964111 0.03 353.1852417 0.63 357.9561157 0.04 367.1394653 6.77 367.7606201 0.01 379.4061279 0.06 385.2548218 0.01 388.5713501 0.05 395.0688477 0.08 399.2316284 0.03 416.4177246 0.12 417.3072510 0.05 436.0512085 0.05 443.4144897 0.03 453.5061646 0.15 457.3255615 0.03 459.5655518 0.08 467.3240356 0.02 484.2328491 0.02 488.2340698 0.06 492.9930420 0.03 502.8455811 0.02 505.1552124 100.00 505.7868652 0.49 506.9069824 0.06 517.2117920 0.05 518.4542847 0.03 520.0541382 0.07 523.3074341 0.09 528.4852905 0.14 529.1710815 0.03 535.6298218 0.07 537.1885986 0.27 540.5045166 0.05 545.2792358 1.05 546.2839966 0.44 547.2691040 0.34 549.3438110 0.16 551.3651733 0.10 562.1513672 0.07 565.4552002 0.02 571.3876343 0.02 577.2755737 0.12 578.2133179 0.03 579.5111694 0.06 587.4312134 0.05 591.1114502 0.07 592.0149536 0.06 593.4833984 0.09 594.7871704 0.02 602.8600464 0.06 605.2952271 0.02 609.2278442 0.06 618.3390503 0.06 620.4968262 0.29 621.2477417 0.12 622.4364014 0.21 623.4015503 0.16 628.3685303 0.02 630.2380981 0.05 631.1610718 0.02 631.8265991 0.04 635.6803589 0.76 636.4875488 0.32 637.3983765 0.06 644.9267578 0.51 646.5378418 0.06 648.5477905 0.28 649.3923950 0.55 652.5982056 0.05 657.3906860 0.60 658.0898438 1.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 831.2327 Annotation Premnoside A Peak:m/z Relative Intensity 246.8562012 0.05 259.2976685 0.06 263.5096130 0.12 271.0565796 0.27 289.0207825 0.21 301.3356018 0.66 307.2770386 0.24 321.2893066 0.15 331.0668945 1.00 348.9317017 0.06 349.5473022 0.20 433.4332275 0.16 437.2438965 0.24 439.3239746 0.25 449.1975708 0.06 456.1238403 0.58 465.1093750 0.33 481.2810059 0.07 483.3500977 0.67 493.1256714 0.11 511.2485352 0.19 525.2056274 2.56 535.3591919 0.07 542.9251709 0.31 553.3578491 0.88 570.4250488 0.15 571.2392578 3.93 577.2907715 0.06 595.2465210 4.39 601.0211792 0.16 601.6491089 0.09 611.0549927 0.17 613.2858276 32.77 626.7446899 0.21 629.2807007 0.30 637.2395630 2.34 643.2327881 0.11 653.0802612 0.19 655.2661743 42.94 671.3369751 0.16 685.3347168 1.95 687.5515747 0.20 712.5358887 0.14 729.3726807 3.33 747.2464600 6.59 756.0748901 0.15 771.2360229 28.56 771.9296265 0.65 789.3461304 100.00 816.0678101 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1411.6373 Annotation Juncin K Peak:m/z Relative Intensity 407.5658875 0.04 425.2312622 0.07 465.2390137 0.04 467.3430786 0.03 485.3155518 0.19 487.5849609 0.06 527.2569580 0.01 575.2952881 0.02 583.5895386 0.02 601.5033569 0.06 619.5692749 1.54 620.8192749 0.07 629.2075195 0.63 630.3197632 0.03 727.6772461 0.09 738.6584473 0.04 763.4011230 0.53 764.6740723 0.13 781.4946289 100.00 782.6451416 4.95 810.4437256 0.11 823.5481567 0.71 825.0278320 0.06 863.5718384 0.53 864.7363892 0.05 865.3939819 0.02 925.5357666 0.53 926.5340576 0.11 939.5437012 0.02 943.5240479 14.70 944.5223389 1.42 985.3585205 0.36 1026.7556150 0.02 1059.3399660 0.02 1069.3614500 0.07 1147.5583500 0.09 1160.8798830 0.04 1189.4309080 0.11 1231.6760250 0.07 1249.6463620 0.06 1267.3560790 0.56 1268.0113530 0.01 1268.6604000 0.04 1276.8535160 0.07 1304.9421390 0.07 1309.4614260 0.09 1347.4670410 0.08 1349.3312990 0.12 1375.6138920 0.11 1389.5451660 0.03 1393.7702640 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1453.6436 Annotation Unknow Peak:m/z Relative Intensity 467.2449951 0.53 574.3370972 0.02 619.4685059 0.07 633.3618774 0.02 647.4294434 0.01 661.5227051 0.02 715.5347900 0.03 727.4774170 0.07 745.3469238 0.13 763.4742432 1.07 777.4816895 0.02 780.4187012 0.02 781.5004883 1.95 798.4232178 0.02 805.6716309 0.20 823.4761963 1.63 832.3867798 0.02 865.7147217 0.02 877.6597900 0.11 907.5404053 0.24 925.5422363 5.50 943.4645996 10.80 944.1347656 0.08 967.4722900 0.89 985.4708252 100.00 986.1151123 0.91 1011.8702390 0.02 1025.6011960 0.07 1027.4583740 1.22 1067.6994630 0.44 1068.3492430 0.03 1129.8288570 0.14 1173.6987300 0.11 1187.7312010 0.06 1243.2767330 0.03 1260.1641850 0.06 1267.6577150 0.06 1309.3630370 0.62 1330.6699220 0.03 1351.4938960 0.13 1360.2092290 0.04 1398.7397460 0.03 1408.3033450 0.02 1422.7034910 0.15 1434.2100830 0.04 1435.1207280 0.08 1435.7554930 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 377.107 Annotation Furaneol 4-(6-malonylglucoside) Peak:m/z Relative Intensity 108.8499756 0.80 111.0046463 1.10 120.0628357 0.05 126.8931580 3.43 128.9909515 100.00 130.0327759 0.05 144.8323669 0.66 145.4333344 0.06 147.0284729 0.05 154.9288330 0.03 158.7946472 0.10 182.9319763 0.45 200.4810486 0.02 203.3800354 0.08 213.0435791 8.71 219.1945496 0.10 223.0811768 0.36 226.0099182 0.03 227.2250671 0.17 230.9318237 16.98 237.0737610 1.06 249.0154419 0.52 260.3307800 0.06 274.9834290 0.03 288.1548767 0.03 297.2520142 0.08 302.2319946 0.60 315.2745972 0.30 341.0541992 52.66 341.6764221 0.26 358.9260559 3.39 359.6302490 0.08 360.5283203 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1154.5237 Annotation Unknow Peak:m/z Relative Intensity 327.3321228 0.33 345.4864807 0.03 349.5070190 0.03 371.3227234 0.25 432.6636963 0.06 456.2833557 0.09 463.3115845 0.05 500.2849121 0.03 510.4470215 0.02 536.4895630 0.11 538.3706665 0.37 553.7824097 0.07 556.5443726 0.12 579.3836670 0.08 585.3250732 0.07 597.4782715 0.18 603.3481445 0.02 621.0981445 0.17 635.5286865 0.30 639.6898193 0.03 653.4003906 2.47 654.0432129 0.02 664.4656982 0.07 667.5708618 0.10 682.2021484 0.10 691.5252686 0.08 696.3739624 0.11 704.6553955 0.03 708.4807739 0.12 718.7476807 0.06 726.3317261 0.52 735.6199951 0.15 736.5986328 0.04 737.3664551 0.17 738.0004883 0.03 738.7271729 0.04 746.8604736 0.02 753.4611816 0.06 764.4885254 1.81 777.3983154 0.02 779.6998291 0.02 782.3942261 0.38 795.1159668 0.02 797.3460693 0.10 802.6495361 0.02 816.5387573 0.02 832.7559814 0.05 835.8426514 0.05 850.6020508 0.03 852.3785400 0.03 853.3350830 0.27 863.7757568 0.02 867.1859131 0.03 878.1446533 0.03 878.7591553 0.08 887.4763184 0.10 894.5676270 0.03 896.6843262 0.02 905.5601807 0.10 918.5572510 0.05 924.5620117 1.07 931.6197510 0.47 938.6588135 0.07 946.4455566 0.08 949.5830078 0.24 960.5895996 0.18 963.4542236 0.07 975.3903809 0.07 981.5932617 0.96 989.4748535 0.09 990.1689453 0.23 991.5654297 0.04 993.4929199 0.32 1007.5136720 2.80 1011.4746090 0.03 1025.5356450 1.82 1026.1990970 0.06 1030.7906490 0.07 1035.3548580 0.05 1037.3592530 0.04 1039.7165530 0.03 1046.4637450 0.10 1048.7407230 0.06 1054.1407470 0.02 1060.4852290 0.06 1061.1125490 0.11 1071.4899900 0.04 1074.5458980 1.70 1078.2502440 0.08 1082.7680660 0.11 1089.5928960 0.07 1092.5086670 50.73 1093.1750490 0.11 1100.5206300 0.35 1104.5084230 0.10 1110.0650630 1.20 1110.6760250 23.19 1112.6823730 0.03 1116.1523440 0.03 1118.5338130 5.10 1119.4294430 0.15 1122.5421140 0.49 1123.9248050 0.16 1124.7023930 0.08 1136.4978030 100.00 1137.2656250 0.67 1138.0731200 0.08 1138.9747310 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 353.14 Annotation Isopropyl apiosylglucoside Peak:m/z Relative Intensity 101.1015167 0.14 102.1024170 0.10 110.9795303 18.00 113.0928802 0.29 113.9198990 0.10 114.9524078 0.08 129.0874634 0.78 130.9598083 0.05 135.1924896 0.10 145.2341614 0.06 155.0501404 6.94 158.0572815 0.02 173.0074768 100.00 174.8512878 0.12 179.1278076 1.19 190.9537964 82.35 192.1102295 0.07 206.1102600 0.07 231.0696411 0.21 232.1289062 0.47 249.0585938 2.46 250.1944580 2.76 251.2198181 0.87 261.1191406 0.05 264.8142700 0.07 267.1700745 0.83 268.1892700 0.47 269.0864258 0.24 307.3647766 0.17 317.4802246 0.06 334.1332092 1.52 335.3434143 1.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 589.0657 Annotation Unknow Peak:m/z Relative Intensity 175.0110474 0.57 178.7239838 0.06 187.0347900 0.04 199.0602570 0.20 200.8619080 0.08 210.9692383 0.15 217.2159119 0.16 225.2546387 0.17 228.8972778 0.06 235.0715332 0.14 238.9814148 0.06 243.2495117 0.04 244.8840637 0.26 246.3103943 0.45 247.2267456 0.41 257.2421875 0.25 258.9520569 0.04 260.9580688 0.62 264.9160767 0.15 270.7214355 0.17 273.0363770 0.06 274.7830505 0.40 277.0219421 6.60 287.1063232 0.14 289.1169739 1.96 294.1109314 0.06 295.0130615 0.48 302.2731323 0.04 303.1381226 1.27 305.2346802 0.05 305.8624268 0.39 306.9163208 18.01 315.2750854 0.16 319.0260010 3.08 321.1300659 0.33 325.1969604 0.11 329.1436768 0.29 330.8029175 0.51 335.0385132 0.21 336.2767944 1.31 337.0237427 8.04 342.9974976 0.44 345.5394897 0.07 346.9567871 1.01 348.9405518 0.61 351.2584229 0.04 355.0311279 0.50 360.9948120 0.33 362.1795044 0.17 363.9296875 0.11 365.1157837 0.37 366.9542847 18.59 367.6014404 0.10 373.0233765 3.35 377.4896240 0.22 378.2374878 0.08 379.0745850 0.30 382.1108398 0.99 382.8854980 0.08 388.9621582 0.08 390.3845825 1.33 390.9965210 10.93 391.6123047 0.02 394.8690186 0.42 396.9705200 22.68 397.6289673 0.14 399.1877441 0.10 407.0067139 0.46 409.0387573 63.28 414.2119751 0.15 414.9317017 0.09 425.8778076 4.29 427.0209351 100.00 438.6058960 0.07 450.9782104 0.05 468.9981079 0.22 470.1791382 0.15 486.2683716 0.14 498.0840454 0.12 499.1347046 0.28 500.3002319 0.10 507.5053711 0.19 529.0088501 0.20 530.1253052 0.16 538.2946777 0.10 544.1520996 4.34 545.2100830 1.44 553.1686401 0.04 554.4574585 0.06 568.7822876 0.10 570.3783569 1.08 571.0789185 7.34 571.8732300 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 631.006 Annotation Unknow Peak:m/z Relative Intensity 183.3281250 0.23 190.7445374 0.07 202.8318481 0.06 211.3015137 0.88 212.3087311 0.23 216.5472260 0.14 219.1266327 0.22 228.1682434 0.70 231.2147064 0.25 251.0226593 0.36 252.4047699 0.21 265.1452332 3.64 266.2892456 0.23 271.1436462 0.10 274.8997803 0.04 278.9047852 0.08 300.2836304 0.19 303.9077148 0.51 308.2047119 0.28 322.2120972 0.07 323.9036255 0.08 325.4645081 0.43 326.3360596 0.07 327.5000610 0.18 335.3298950 0.09 342.1981812 0.11 344.3925171 0.17 353.2626953 0.06 360.0260010 0.25 361.7178955 0.55 370.3037109 0.31 371.0052490 0.06 373.1921997 0.11 375.6078491 0.11 377.4548950 0.52 380.1051025 0.13 381.4524536 0.13 395.3779297 0.03 400.3779297 0.13 403.1921997 0.15 404.5860596 0.20 405.4064941 3.51 410.3113403 0.06 411.0863037 0.06 416.4588623 0.65 418.9717407 2.88 420.0505981 0.10 421.3588257 2.44 422.4499512 0.43 427.1315308 0.14 429.2727051 0.05 437.4948730 0.14 438.3500366 0.25 439.5000610 0.77 441.2392578 0.98 445.3714600 0.24 452.6501465 0.72 453.8780518 1.01 454.5003052 0.38 461.5866089 1.06 462.8386841 1.97 464.2601318 0.21 465.0439453 0.16 467.1170654 0.18 468.5639648 0.11 470.3081665 0.54 471.7922974 0.08 472.4049072 0.13 473.7379150 0.28 475.4453125 4.01 476.6004028 0.37 477.2793579 0.10 483.6055908 0.13 485.3848877 0.25 487.0822754 0.24 494.3793335 0.30 496.3101196 0.25 498.8413086 0.47 504.8117676 0.34 508.7070923 0.50 510.5968628 0.63 512.3805542 0.30 518.5036011 0.74 519.3335571 0.07 520.0180054 0.22 523.6893311 0.94 525.3798828 0.09 526.9474487 0.14 529.2040405 0.10 532.9080811 6.23 533.9177856 0.40 535.1051636 0.17 537.0642700 0.22 539.5372314 0.15 541.3668213 0.04 543.0960693 7.02 544.1864014 0.59 550.7445679 0.25 553.9711304 0.17 555.7923584 0.13 557.4185181 0.04 559.2783813 0.51 560.8323975 0.41 566.8864136 0.16 568.1997681 14.04 569.3240356 0.69 570.2257080 3.86 576.1641846 13.10 577.1644287 3.12 578.3789062 1.13 580.9623413 0.28 585.1527710 0.17 586.1080933 0.75 587.2175903 0.46 589.3054810 0.31 590.8883667 1.29 593.3059692 0.54 594.1381226 1.40 596.8138428 0.16 598.1327515 1.00 603.0918579 8.52 604.0841675 1.00 605.4445801 0.47 606.5825195 0.14 608.5417480 0.26 610.0043945 0.12 612.0064697 18.82 612.9275513 3.74 614.4124146 0.09 615.5776367 0.79 617.8818970 0.06 619.2710571 15.26 620.2562866 0.12 621.0148926 0.49 621.6980591 0.59 622.3298950 0.44 623.2477417 0.32 624.5308838 1.24 626.4133911 0.15 631.0202637 0.14 637.1904907 0.12 640.9143066 0.20 646.9979858 0.20 650.1503296 0.32 651.4423828 0.20 653.2951660 1.07 654.0285034 0.64 662.5679321 12.70 663.7866821 0.16 667.6763306 0.17 669.4462891 13.28 670.5274658 3.32 671.3773804 0.07 673.9948120 0.23 676.4131470 0.11 677.0830078 0.06 679.4533081 0.62 680.1928711 0.04 682.2008057 0.18 683.8840942 0.52 690.4841919 1.43 691.6386719 0.06 692.8458252 0.18 693.9003296 0.35 694.6044312 0.21 696.4511108 0.09 697.8714600 0.64 700.7898560 0.45 702.1828003 0.28 709.5499268 0.18 711.4174194 0.06 713.7444458 0.20 718.1902466 2.44 718.8552246 1.19 719.6232300 0.80 721.4082031 0.09 722.4199829 1.55 723.5841675 0.33 725.2572632 0.64 726.9895630 2.89 727.6483765 0.76 736.0875854 3.78 737.0082397 0.11 737.7994385 0.19 739.5322876 7.61 740.5693970 2.31 741.3332520 0.18 742.9567871 0.67 745.5804443 0.18 747.9472046 0.33 749.6701050 0.66 750.6736450 0.43 751.4368286 0.30 757.8059692 0.31 759.2399292 0.34 762.7609863 0.06 765.5177612 0.15 772.0360107 0.62 774.5034180 0.14 777.4188232 0.09 778.5895386 0.16 781.5922241 0.40 784.8253784 0.59 789.5823975 0.09 791.6119995 0.35 793.7847900 0.08 805.3358765 3.36 806.0178833 0.07 807.5220947 0.21 808.4396362 0.45 809.6534424 2.53 810.5938110 2.09 812.8038940 0.39 814.2754517 55.59 815.1146851 0.68 816.1216431 0.72 823.6324463 0.78 826.7445679 0.24 827.6998901 1.77 828.4031372 0.36 836.9404297 0.42 838.6174316 0.31 839.4382935 0.13 843.7184448 0.53 846.0487671 0.28 847.1010742 0.14 850.4685059 0.50 852.4745483 0.36 854.8010864 2.65 859.5603027 0.14 861.9819336 0.13 863.7832031 100.00 864.6640015 1.82 865.8866577 0.11 868.6220703 0.11 870.2833862 0.10 872.4731445 0.24 879.4631348 0.12 880.5781250 0.31 881.3475952 0.63 886.3622437 0.32 888.5793457 0.36 889.5209961 0.14 893.9709473 0.11 894.9697876 0.16 897.5761719 0.05 902.9722290 0.05 906.3500366 0.69 910.7659302 0.26 924.5420532 2.99 925.6353149 1.12 926.4230957 0.20 929.4487915 0.16 932.5131836 0.44 941.4768677 0.09 942.6062622 1.12 943.8087769 0.49 949.6911011 0.90 950.4258423 0.99 951.7163086 0.15 952.7119141 0.43 959.9277954 0.15 967.8525391 0.50 968.7861938 0.74 971.0613403 0.43 974.9721069 0.13 976.7000122 0.47 979.5278320 0.08 994.8879395 0.09 1007.9435420 0.24 1020.4054570 0.07 1030.9468990 0.55 1031.8488770 0.09 1036.4687500 0.14 1037.7988280 0.59 1038.6672360 0.07 1046.2994380 0.14 1047.9499510 0.07 1064.6890870 0.99 1065.7213130 0.74 1066.4528810 0.14 1094.7131350 0.17 1095.7043460 0.21 1103.7735600 0.11 1105.5781250 0.08 1113.6916500 0.09 1129.2960210 0.11 1133.3530270 0.22 1134.9493410 0.32 1151.4377440 0.24 1153.3754880 0.44 1222.9409180 0.25 1250.9888920 0.25 1268.5483400 0.05 1274.6341550 0.07 1275.5849610 0.15 1429.3480220 0.13 1489.9539790 0.06 1506.4532470 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 598.7991 Annotation Unknow Peak:m/z Relative Intensity 181.9160004 0.55 188.9198151 0.11 189.9899597 0.02 192.1439972 0.10 193.2130585 0.16 194.1856995 0.07 199.1218719 0.11 202.0373383 0.04 207.5211945 0.13 211.2852325 0.02 217.1289978 0.03 219.7647858 0.03 221.2249146 0.07 222.1486511 0.09 237.1874695 0.26 242.2212982 0.05 250.0607300 0.05 259.3335571 0.14 265.1593323 0.46 266.1925659 0.03 274.2851257 0.08 283.2292480 1.99 284.2055054 0.31 288.2950439 0.02 307.0261841 0.11 309.2537231 0.09 311.8540649 0.22 314.4088745 0.11 317.1918030 0.01 321.6784668 0.23 322.4210815 0.22 323.5215454 0.02 328.4463501 0.04 338.3103638 0.06 339.1416626 0.12 340.0629883 0.02 348.3588257 0.07 350.1994629 0.07 351.5859375 0.09 357.2900391 0.15 366.0067139 0.09 367.9094238 0.03 371.9860840 0.09 377.0193481 0.10 380.8779297 0.05 383.2463379 0.08 385.0850830 0.07 389.6519165 0.19 395.4215698 0.03 398.4288330 0.05 399.0296631 0.08 400.4331665 0.12 403.2526245 0.05 404.5391846 0.03 410.5001831 0.08 412.8919678 0.09 415.3827515 0.02 421.2678223 0.21 422.5210571 0.03 423.8668213 0.14 425.8077393 0.33 427.3669434 0.08 428.3239746 0.13 429.3015137 0.07 432.1895752 0.20 434.5786133 2.90 435.3381348 0.17 437.1245117 0.20 439.5278931 0.31 440.3915405 0.07 446.1423950 0.15 449.1774292 2.13 450.3748779 0.55 451.7005615 0.04 453.6923218 0.13 454.3307495 0.17 455.8497925 0.04 457.7422485 0.20 463.3645630 0.04 466.2562866 0.04 467.1545410 0.91 468.2835693 0.78 469.5609131 0.03 472.5081177 0.02 473.4640503 0.35 476.4517212 0.19 477.2046509 0.41 477.9044800 0.14 478.6361694 0.17 480.3315430 0.05 481.5504761 0.18 482.4553223 0.21 484.3533936 0.14 485.3865356 1.14 486.3586426 0.19 487.6994019 0.03 490.5789185 9.42 491.4800415 2.26 494.2689819 0.20 494.9785156 0.06 496.0308228 0.23 499.4977417 4.69 500.4220581 0.29 502.9817505 0.12 504.1842651 0.13 505.2326050 0.06 508.6193237 4.26 509.5226440 0.40 511.8676147 0.12 513.2972412 0.06 514.2363281 0.12 517.4638062 0.44 520.2744141 0.09 521.4398804 0.14 522.5872803 0.37 525.6429443 0.52 526.3960571 0.02 527.2738647 0.07 529.0539551 0.10 530.9317017 0.18 531.5964355 0.01 532.8853149 0.29 534.5042114 1.12 535.4448242 0.31 536.0944214 0.03 538.1156006 0.52 538.7932739 0.06 539.4664917 0.11 540.5211792 0.20 542.0573120 0.59 542.7355957 0.04 548.3346558 1.64 549.5072632 1.06 550.3784790 0.04 551.0419312 0.08 554.8860474 0.20 555.5578003 0.08 556.5305786 0.35 557.6516724 0.21 558.9426270 0.03 560.2149048 0.33 563.5211792 0.41 566.2330933 1.86 567.2103882 0.99 568.1198120 0.18 572.3834839 0.43 573.1333618 0.16 576.1046753 0.21 576.9854126 0.12 577.6113892 0.04 581.1344604 8.35 582.0567017 1.22 582.9054565 0.06 583.5098877 0.02 585.4946899 0.24 586.7222900 0.14 590.0751953 100.00 590.9722290 8.61 591.9046631 0.48 592.6904907 0.03 593.4246216 0.08 594.8516235 0.13 613.5159302 0.15 615.3320923 0.04 622.4431763 0.08 630.2904053 0.05 631.4221191 2.82 632.4353027 0.84 633.5814209 0.16 636.0353394 0.07 642.1644897 0.11 642.8131104 0.06 644.6239014 0.04 668.6280518 0.06 675.2150879 0.16 676.2622070 0.67 677.2615967 0.13 679.9713135 0.05 686.9411621 0.20 694.5416870 0.37 695.4796753 0.39 696.1748657 0.29 712.4407349 0.02 713.3386230 0.04 717.5764771 0.08 718.3170776 0.18 718.9859619 0.05 720.9633179 0.37 722.2759399 0.30 723.4685669 0.09 730.5006714 1.78 731.5435181 1.15 732.4130859 0.32 733.0570679 0.03 733.7524414 0.07 734.6118774 0.35 735.3557739 0.14 744.2848511 0.03 746.7294312 0.09 751.3876343 0.21 752.6428833 0.13 753.9343262 0.24 754.7692871 0.21 755.4808960 0.23 757.8666382 0.24 773.4950562 0.22 778.3615112 0.22 787.4003906 0.03 788.7156372 0.11 789.7037354 0.22 794.5750122 0.07 795.6602783 0.08 796.7495728 0.04 799.5108032 0.06 801.6710815 0.10 803.2795410 0.04 805.2320557 0.08 806.4242554 0.04 809.4312134 0.03 811.2538452 0.08 817.2152100 0.11 819.1250610 0.44 819.7461548 0.08 824.1293335 0.06 826.3806763 0.13 827.5119019 0.02 833.5017700 0.23 834.4738770 0.08 841.4375610 0.03 844.7820435 0.25 850.5314331 0.18 855.1288452 0.07 858.5708008 0.08 867.6026001 1.36 868.4727173 0.30 869.0952148 0.02 872.5652466 0.06 877.3136597 0.04 886.5036621 0.19 887.6641235 0.08 896.4284058 1.23 897.4765015 0.81 898.3557739 0.15 914.5134277 2.41 915.5788574 1.36 916.6322632 0.27 930.2781372 0.07 937.5688477 0.09 949.0233765 0.08 953.5852051 0.05 961.6098633 0.10 969.8545532 0.12 979.3918457 0.04 980.4550171 0.24 981.4824219 0.29 993.3728638 0.06 997.6525879 0.69 998.7895508 0.35 1004.9601440 0.07 1007.8161010 0.06 1008.7252810 0.21 1015.5297240 0.74 1016.6383670 0.33 1017.6438600 0.04 1037.6895750 0.05 1051.4682620 0.07 1081.7526860 0.11 1103.6719970 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 524.1959 Annotation Herbicidin E Peak:m/z Relative Intensity 148.1396790 0.64 164.9889221 14.87 166.0837097 5.16 180.3381500 0.06 182.0283203 100.00 183.0316467 31.43 223.2267151 0.08 237.0283203 0.14 267.0721436 0.10 273.1271973 0.40 277.7717896 0.17 288.7247314 0.08 290.0805664 0.25 324.9343872 0.35 325.9357910 0.44 327.1506958 0.11 344.0560303 3.02 345.0144043 1.88 350.5393066 0.06 354.0956421 0.28 361.8698120 1.72 362.8601074 2.10 375.2901611 0.20 412.8610840 0.11 420.0429688 0.21 446.1266479 0.09 449.3470459 0.15 464.0728149 0.19 465.3148804 0.11 484.8216553 0.09 488.1887207 0.06 493.4363403 0.17 497.0299072 0.07 506.7214355 0.58 507.4767456 0.04 520.2449341 0.90 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 558.27 Annotation Unknow Peak:m/z Relative Intensity 170.1968231 0.40 177.9119415 0.11 184.9508667 0.44 186.1351318 0.23 187.1319275 0.32 199.1108856 1.70 201.0800476 0.82 207.2338867 0.15 208.9132538 0.09 212.9660034 0.10 218.7427368 0.09 223.0884705 0.06 225.9182587 0.33 227.1068878 8.15 231.2235260 0.26 233.2046051 0.42 243.1613159 0.31 244.1141968 0.17 245.0490112 1.78 247.1966400 0.17 250.0291443 0.12 258.1054077 0.19 260.6332092 0.09 271.1857605 0.09 280.1881104 0.07 286.2210388 0.08 290.3764648 0.38 298.2733459 0.56 298.9731445 0.25 310.3906860 0.44 313.4015503 0.13 316.2246704 100.00 321.9512329 0.22 323.2933350 0.12 328.5455933 0.20 329.4599609 0.44 330.9350586 0.07 335.6221313 0.15 340.0812988 1.83 343.2252197 0.58 344.2984619 0.23 345.0263062 0.08 349.3280640 0.12 351.0989380 0.16 353.3226929 0.73 354.3549805 0.26 356.4502563 0.14 357.7611694 0.34 359.3792114 0.06 361.2120972 0.07 368.2012329 1.11 369.7327271 0.50 373.0992432 0.13 377.2100220 0.52 377.8822632 0.10 379.0499878 0.42 380.0281372 0.31 383.6230469 0.21 390.2205200 0.09 395.2672729 1.45 396.4941406 0.50 401.3112183 0.07 402.2777100 0.19 403.4135742 0.19 410.2224121 0.42 415.2640381 0.68 416.6773071 0.59 417.3012695 0.07 420.7586670 0.33 422.6649780 0.26 423.4575806 0.34 425.1580811 0.24 426.9965210 0.24 428.8154297 0.08 430.1488647 0.31 439.5054321 0.29 440.6770020 0.16 445.5249634 0.39 450.2604980 0.10 451.5059814 0.27 452.5308228 0.21 454.4202881 0.31 458.1048584 0.19 458.7491455 0.22 459.4476318 0.20 467.1862793 0.28 468.4547729 1.31 469.3562012 4.48 472.4987183 0.07 473.2677612 0.06 474.0222778 0.98 475.3970947 0.14 476.3353271 0.31 479.6422119 0.56 482.1390991 0.45 483.1522827 0.10 491.9434814 0.36 493.0911865 0.61 494.3336792 0.13 500.2705688 0.65 501.8226929 0.35 503.7193604 0.23 504.3243408 0.29 508.6012573 0.48 510.4411621 0.43 511.1052856 0.61 511.8740234 0.07 513.3734741 0.97 517.2462769 0.45 518.6315308 1.09 519.4492798 0.09 521.7690430 0.28 522.4290161 0.26 523.1963501 0.24 527.2980957 0.27 533.4018555 1.39 534.4405518 0.57 537.5924072 0.32 539.3826904 0.54 540.3255615 6.73 541.3546143 0.76 543.4248047 0.13 545.6325073 1.39 546.7116089 0.06 548.8495483 1.97 549.7978516 1.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 295.0671 Annotation Unknow Peak:m/z Relative Intensity 86.9633179 0.82 88.9770203 4.98 98.8901062 0.15 100.9970245 2.35 112.9384155 5.36 114.8780441 39.60 118.8760147 7.32 125.0068054 0.99 128.9468384 0.61 130.9557800 3.12 132.9560547 60.20 143.0689697 6.86 146.9823151 0.21 149.0948486 2.20 157.1757812 0.66 159.1579590 0.12 160.9407654 10.55 172.9536133 0.09 174.9832153 3.15 179.0408783 100.00 187.0643616 1.09 199.1631165 0.07 200.9797363 0.15 201.8386841 0.12 205.0670166 16.59 215.1432800 0.27 217.1778564 0.63 235.1080933 60.41 238.2021484 0.11 248.8393555 0.44 259.1261292 0.12 265.2369385 0.25 276.9921875 11.84 277.5994263 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 837.4621 Annotation Cyclotheonamide E4 Peak:m/z Relative Intensity 365.2833252 0.06 424.2791748 0.26 425.4407959 0.08 463.2383423 0.12 469.2868652 0.24 471.5300293 2.96 472.5963745 1.27 499.6695557 0.06 514.3977661 0.14 579.5870361 0.34 583.3956909 0.05 584.4109497 0.07 597.5930176 0.44 599.0568237 0.12 614.4942017 0.50 615.4988403 10.83 616.5482788 4.78 617.5262451 0.25 629.6464233 0.10 631.6546631 0.09 633.4912109 57.21 634.4931030 26.20 657.3306274 0.11 660.5010986 0.13 673.6463013 0.34 675.4205933 2.15 676.5316162 0.90 690.4108276 0.07 700.7506714 0.18 703.5294800 0.21 707.7582397 0.22 711.7157593 0.07 717.1303101 0.23 718.5786743 0.13 727.2022705 0.12 729.6470947 0.36 741.4945679 0.16 742.5914917 0.09 748.4794312 0.05 759.7397461 0.52 760.6004028 1.23 777.5072632 76.01 778.5731812 32.44 779.9796753 0.10 782.7532349 0.56 793.6316528 0.04 795.4761963 100.00 796.5882568 46.58 819.5749512 1.74 820.5151367 0.53 821.6192627 0.19 823.8386230 0.19 836.6423340 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 952.4123 Annotation Unknow Peak:m/z Relative Intensity 307.3841553 0.10 347.4022827 0.32 365.3145752 0.36 366.3858032 0.37 370.4371338 0.05 371.3500061 0.05 381.1542358 0.38 382.3708496 0.06 399.4579468 2.21 407.3219604 0.78 408.3345337 0.10 418.0365906 0.09 425.1847534 0.33 449.6191406 0.45 455.3703003 0.19 459.2061768 1.12 479.3560791 0.06 488.3458252 0.83 496.2718506 0.75 506.6273804 0.08 514.7203369 0.18 528.9396973 0.20 548.3350220 21.43 549.4695435 3.18 566.0172119 0.50 566.6793213 0.20 577.2378540 0.19 584.4499512 0.10 601.1498413 0.25 608.2209473 0.13 614.6920166 0.21 626.3065796 1.12 627.5000610 0.25 636.9808960 0.13 638.2369995 0.31 644.3666382 1.20 655.3171997 1.19 656.3601074 1.43 657.3190308 0.11 674.4345093 0.06 679.6301270 0.31 697.3478394 1.46 698.3356323 0.18 715.6870728 0.59 722.3283691 0.10 733.3642578 19.24 734.3579102 2.48 736.3666382 0.24 751.3444824 1.21 752.3679810 0.72 762.0952759 0.25 764.6455688 0.04 774.9530640 0.33 775.7352905 0.16 787.5447388 0.21 791.2583618 0.29 793.4038696 0.74 794.2441406 0.06 799.4376831 0.27 805.4199829 0.69 811.3090210 0.23 811.9104614 0.24 816.0559692 0.17 821.9446411 0.07 823.3776245 0.13 826.2063599 0.16 829.5957642 0.69 835.1548462 100.00 836.2653809 0.48 838.4421387 0.18 840.3699951 1.47 841.3134155 1.17 842.9832153 0.13 844.2337646 2.98 846.1210327 0.23 847.2561646 0.27 848.3850708 0.44 858.3588257 0.46 859.5101929 0.55 860.4657593 0.22 864.6062622 0.79 865.6520996 0.25 879.8557739 0.11 880.5593262 0.17 882.3174438 3.09 883.2343140 0.68 884.0988159 0.14 888.7069702 0.90 889.6317139 0.64 892.1397095 0.35 895.4291382 0.06 898.0397339 2.13 898.7525024 0.87 900.2357788 0.40 901.5451050 0.06 906.6250610 0.12 909.9047241 0.33 918.7598267 3.39 919.5552979 0.35 922.3892212 1.43 923.0007935 0.65 927.5689087 4.27 936.5839844 60.66 937.5376587 3.28 938.7605591 0.44 941.3627930 0.20 954.4775391 0.37 955.4032593 0.17 968.1940308 1.45 968.8584595 0.62 969.5061035 0.21 987.1058960 0.11 996.4751587 0.10 1014.6113280 0.30 1032.4749760 0.10 1043.1225590 0.27 1044.5155030 0.94 1058.0605470 0.62 1061.2723390 0.32 1062.3911130 0.33 1063.2441410 0.25 1085.0427250 0.09 1086.0302730 0.41 1103.3216550 0.57 1104.6335450 0.34 1105.4887700 0.38 1111.3693850 0.33 1121.3725590 3.77 1122.3175050 0.54 1131.2988280 0.51 1139.6080320 1.38 1140.4124760 0.58 1141.6418460 0.11 1153.5939940 0.18 1171.3723140 14.08 1172.5200200 2.81 1173.1892090 0.29 1188.5314940 0.09 1249.6281740 0.15 1324.6700440 0.16 1409.4570310 0.16 1447.5571290 0.18 1451.7474370 0.24 1465.2900390 0.07 1668.8624270 1.12 1669.7196040 0.79 1686.5782470 0.24 1687.5754390 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 466.8 Annotation Unknow Peak:m/z Relative Intensity 131.0265656 0.20 162.9605713 0.04 212.8072662 1.14 214.8583069 0.99 259.2497559 0.12 271.1729126 0.09 279.1048889 0.05 296.8459778 13.16 298.7354431 20.71 299.3361511 0.07 302.9002380 0.03 304.7977600 0.08 313.0964966 0.03 331.2243958 0.11 346.8650513 0.07 358.5845337 0.08 377.2054443 0.21 378.3155823 0.03 380.5855408 24.98 382.0089417 9.65 382.6386108 100.00 383.3935242 0.49 407.2641296 0.07 419.3686218 0.02 449.0653381 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1129.5419 Annotation Unknow Peak:m/z Relative Intensity 322.9284973 0.29 347.1961365 0.18 364.1218872 0.02 365.2803040 0.24 383.0764465 0.02 389.7002563 0.07 395.1811829 0.06 404.6842651 0.19 407.0744324 0.12 415.5903320 0.05 423.3764343 0.11 425.0949402 0.06 439.2733154 0.11 447.3552856 0.05 449.2098083 0.05 465.5513000 0.05 467.2426758 1.49 485.4410400 0.20 487.4738159 0.08 499.5980835 0.06 575.5122070 0.36 601.4964600 10.44 619.5485840 9.37 661.4565430 100.00 662.1085205 0.41 703.4465942 0.70 718.6405029 0.06 743.3906250 0.09 745.5567017 0.10 803.6477051 0.10 805.1796875 0.12 805.8355713 0.10 865.3323975 0.43 882.8873291 0.13 883.6333008 0.04 906.9910889 0.11 952.4481201 0.03 984.7467041 0.51 985.3736572 9.34 1027.2301030 0.39 1027.8493650 0.11 1067.5559080 0.08 1083.6120610 0.04 1108.5791020 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 645.2727 Annotation Gniditrin Peak:m/z Relative Intensity 183.2814789 0.23 187.1062622 0.11 191.2212982 0.03 192.9786072 0.10 196.1364746 0.35 197.0656128 0.05 198.1041565 0.06 199.1149597 0.73 209.2071838 0.13 211.3994751 0.14 217.3068542 0.50 227.0810699 4.86 227.6956482 0.03 238.9847412 0.15 240.0183716 0.48 245.1963196 0.68 257.1739502 0.50 258.0412292 0.51 268.0717163 0.27 270.1680908 0.86 272.9624023 0.10 286.0561523 0.07 287.0621643 0.45 288.2930603 1.02 295.1710205 0.85 296.3446045 0.23 298.3660278 0.29 303.3385620 0.05 310.0294189 0.14 311.2796021 0.22 312.2457886 0.34 314.1414795 0.12 321.2508545 1.16 323.2954102 0.06 338.1550293 0.08 340.2452393 0.05 341.2818604 1.29 342.2667847 0.03 351.3955078 0.15 354.2505493 0.03 356.3087769 14.30 362.9301147 0.13 366.6359253 0.04 367.4104614 0.44 369.2295532 0.21 374.2399292 0.96 385.2244263 2.98 387.3300171 0.55 393.0242920 0.20 395.4517212 0.14 399.1713257 1.41 403.0245361 0.05 403.6613159 0.05 409.1261597 0.09 410.4252319 0.03 417.3012695 0.20 423.2462769 0.27 424.1326904 0.48 424.7778320 0.03 427.3013916 0.68 436.4962158 0.19 438.3686523 0.29 439.1854248 0.05 441.2069702 0.39 444.1583252 0.05 445.3801880 1.73 454.3287964 4.48 456.4036865 0.20 461.6473389 0.08 467.1795044 0.06 468.2825928 1.76 470.5471191 0.12 471.4816895 0.15 474.4539185 0.38 480.4208984 1.48 481.3526001 0.06 483.2177734 0.13 486.2890015 8.60 487.8254395 0.05 496.3283081 0.68 498.3609009 28.09 501.4218750 0.09 503.4473877 0.07 505.3013916 0.17 508.4058838 0.17 512.3688354 0.03 514.4004517 15.46 516.3883667 100.00 517.1627808 0.10 529.6397705 0.35 532.2813721 2.69 538.4652710 0.17 541.2318726 0.20 554.0438843 0.14 556.3900757 1.00 558.2734375 0.05 565.1927490 0.05 565.8529053 0.09 568.4469604 0.16 571.4273071 0.37 583.4547729 1.41 585.0501099 0.21 585.7117310 0.05 591.4799194 0.10 597.3563843 1.56 598.4374390 0.12 599.2075195 0.48 600.2743530 0.71 601.5210571 1.19 603.5441284 0.81 608.3425293 0.20 609.3652954 2.15 613.3717041 0.37 614.1693726 0.35 615.4289551 61.03 627.3075562 66.47 628.1212769 0.65 630.6237183 0.06 635.5407104 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 685.1971 Annotation Speedoside Peak:m/z Relative Intensity 193.0594177 1.45 194.0004425 0.61 203.1889801 0.10 217.0968628 0.27 224.3351440 0.17 226.0278931 0.13 227.1815643 0.04 229.2339630 0.05 230.3643188 0.37 231.2220001 0.14 235.3354797 0.37 236.1144867 0.19 242.1829376 0.05 245.1903534 0.30 247.1440430 0.80 253.0391083 0.21 257.2658691 0.57 258.3954773 0.05 259.1611633 0.19 264.9987793 0.16 275.1853638 0.53 279.1622009 0.17 281.1060791 0.03 283.3330078 1.53 284.2493591 0.06 289.0764160 1.66 301.1582947 1.01 302.3403015 0.22 307.1096802 0.20 319.1449585 0.21 320.4956055 0.23 322.0181885 0.32 323.0806274 0.11 333.4614868 0.21 335.0744629 0.25 337.1502075 4.89 338.1568604 1.22 341.1702881 0.37 342.1417847 0.09 343.3381348 0.28 355.5268555 0.08 361.0232544 0.05 362.2011108 0.07 365.0839233 0.35 368.2595215 0.09 371.2102051 0.24 379.1712036 3.16 380.0350342 0.22 383.3850708 0.21 384.0877075 0.05 408.0650635 0.08 411.3394775 0.31 413.1215820 0.29 420.9411011 0.07 425.0925903 3.86 426.0859985 1.04 433.7953491 0.07 441.3366699 2.86 442.1492310 0.42 450.7039795 0.18 453.4539795 5.01 454.4974976 0.79 463.0142212 0.08 467.0401611 0.71 468.2569580 0.10 478.3118896 1.34 479.2288208 1.23 482.4541016 0.17 483.3242798 0.07 485.9005127 0.18 496.3537598 0.09 499.2211914 0.11 505.2778931 0.78 506.1644287 0.27 510.3642578 30.55 511.4264526 7.72 518.7557373 0.15 523.5321045 0.62 524.4191284 1.78 525.3998413 0.60 536.3714600 0.69 537.3212280 0.28 538.3402710 0.91 539.2198486 0.63 540.2844238 0.17 541.2544556 1.65 542.2299194 0.76 551.1685181 0.21 554.2239380 13.37 555.3316040 3.00 559.3147583 0.88 560.4188843 0.78 565.4059448 0.27 579.0363770 0.14 581.4912720 2.79 583.2166748 14.01 584.2471313 3.40 597.5787964 0.06 601.2006836 24.25 602.2941284 7.27 607.3932495 0.60 608.7534180 0.06 611.2332153 0.31 623.3208008 1.80 625.2564697 61.40 626.3515625 22.08 639.8755493 0.53 641.4195557 15.70 643.1299438 100.00 644.2948608 29.11 645.1918945 0.12 667.2609253 1.73 668.2739258 0.48 670.3557129 0.89 671.2766113 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 108.9253845 0.22 123.2962646 0.20 145.1358948 0.24 171.0254822 1.79 173.2120667 0.60 185.0960693 2.31 187.1333923 1.31 199.1369934 1.13 201.021637 1.83 203.6681213 1.01 213.1031189 0.59 215.0758667 2.07 217.2251282 0.58 227.1669006 0.96 229.2806702 2.35 231.1289062 0.45 241.3397522 1.67 243.3506775 3.43 245.0305481 0.41 250.9329834 0.16 255.2905579 0.79 257.1675415 1.68 259.2715759 0.11 263.1741943 1.22 267.3692017 0.12 269.0106812 1.47 271.2369995 1.56 273.2428589 0.64 277.234436 0.33 283.3227844 2.72 285.2791443 2.55 287.358429 0.59 289.203186 0.28 293.1761169 0.10 295.3145752 2.69 297.291748 2.83 299.2300415 1.74 301.3491821 1.62 303.31073 0.38 311.0325317 4.15 312.5321655 0.86 313.3637695 4.77 315.5093079 1.23 319.5577698 0.19 321.2883911 1.59 322.6575928 1.54 323.3504639 9.32 325.4934082 1.24 329.4337158 0.74 339.2526855 100.00 341.2429199 20.26 341.8983459 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 887.4324 Annotation Unknow Peak:m/z Relative Intensity 251.0908508 0.04 252.0401611 0.05 261.1254272 1.28 270.3239441 0.20 280.0388489 1.52 282.2537842 0.07 292.1891785 0.25 298.1051025 1.78 298.7855225 0.07 300.2318420 0.14 310.3296509 0.10 314.5283508 0.06 328.3125000 0.47 329.8080444 0.08 343.7842407 0.28 353.1828918 0.09 354.1630249 0.03 354.8864746 0.15 357.1474304 0.28 361.9129028 0.45 362.6206665 0.09 364.1714172 0.50 364.9723511 0.05 367.2835083 0.09 370.8503418 0.19 372.2365112 0.20 381.1513672 0.31 382.1727295 0.05 383.1038208 1.18 391.1251221 1.72 394.6367798 0.11 399.3858643 0.05 401.0780029 0.22 403.2504883 0.12 408.1217041 0.14 409.1276245 4.08 411.1530762 1.02 412.6380615 0.13 415.8781738 0.13 417.3529053 0.17 420.2843018 0.10 427.2441406 3.48 429.1190186 1.55 431.3690796 0.54 435.3930664 0.07 437.5539551 0.08 439.0943604 0.17 441.3173828 2.16 443.1986084 0.14 454.6820068 0.16 456.1419678 0.66 459.3395996 51.39 463.3626709 0.04 473.3280029 0.07 478.4514771 0.14 480.3051758 0.99 482.0148315 0.06 483.3701172 0.25 490.1426392 0.07 492.3865356 0.11 493.2266846 0.11 498.2988281 1.47 500.1785278 0.13 501.4685059 0.09 502.5965576 0.14 506.1940308 0.14 508.3103638 0.84 510.4084473 0.33 520.1457520 0.08 523.9367065 0.56 526.3001709 3.06 528.3643188 2.19 530.3037720 0.17 537.0398560 0.30 538.3079224 1.68 538.9948120 0.06 540.3132324 0.09 547.2887573 0.34 548.2861328 0.10 552.1066895 0.24 553.2156372 0.05 555.4693604 0.04 556.6763916 0.38 561.2627563 0.42 565.7304688 0.08 570.3909302 0.79 572.5414429 0.06 573.2117310 0.03 574.4382935 0.33 576.6085815 0.04 578.4223633 0.12 579.5112915 0.40 581.4682007 0.22 583.7485962 0.23 588.3275757 5.56 591.1632080 4.64 592.0410767 0.84 593.6126099 0.31 594.7633667 0.12 597.4719238 3.26 599.2653198 0.34 602.3101196 0.05 608.2561646 0.15 609.3707275 12.17 610.5226440 0.15 615.9317627 0.24 619.4514160 0.09 620.4409790 0.05 622.5198364 0.14 627.2528076 8.28 637.4821167 1.26 644.5441284 0.08 645.6843262 0.33 648.6716919 0.22 651.2971802 0.66 653.4202271 0.04 654.4656372 0.29 655.6210938 0.42 658.4783325 0.05 659.3327026 0.23 661.2786865 0.16 662.1409302 1.23 663.2767334 0.08 664.5424194 0.30 669.0612183 0.07 672.3756714 0.72 680.3309937 1.24 681.4903564 0.71 682.4088745 0.63 683.3189087 0.21 687.4189453 3.31 688.8435669 0.27 690.2316284 26.98 690.8356323 0.07 698.3069458 5.35 699.3569946 0.08 706.2142944 0.39 708.2589111 36.16 709.0599976 0.03 709.6615601 0.25 715.8226318 0.20 720.6807251 0.04 725.2017212 1.17 726.4243774 100.00 728.5864868 0.42 736.3151245 0.31 738.1216431 0.07 747.2487183 0.25 754.5896606 0.32 755.6051025 0.14 756.5394897 0.12 765.7777100 0.26 770.5924072 0.05 771.8938599 0.15 772.9174194 0.05 773.6178589 0.51 775.5684204 0.07 787.1394653 0.15 789.5170288 1.36 792.2752075 0.25 793.6940308 0.05 795.6023560 0.06 799.6774292 0.29 800.7865601 0.10 807.1315308 0.24 809.7307739 0.04 814.5472412 0.27 819.6080933 0.08 827.4351807 0.24 828.8215332 0.37 832.6281128 0.17 837.2553101 0.74 846.5332642 0.60 850.9796753 0.85 851.6663818 2.64 855.5341187 1.60 857.3994141 0.78 861.7904663 0.33 863.5715942 0.49 869.2990723 6.95 870.0574951 0.36 870.9426270 0.14 874.7327271 0.09 877.9685669 0.09 879.0460815 0.06 879.7554321 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 230.01 Annotation Benzeneacetamide-4-O-sulphate Peak:m/z Relative Intensity 81.9494247 1.80 86.8360138 0.04 95.9628143 1.10 99.1259766 0.09 108.0813446 1.49 113.9245911 4.29 114.9130402 0.07 126.7590637 0.04 138.1033478 0.21 139.0100098 0.04 140.2366333 0.04 141.9802094 63.64 142.7588654 0.02 151.0275879 0.04 152.0882263 0.04 156.2208557 0.05 158.2478790 0.09 168.0694885 0.23 171.0923309 0.06 183.1230164 0.09 184.4943085 0.22 185.9788971 100.00 199.1647949 0.03 201.3707733 0.11 203.2357788 0.08 211.4544373 0.25 212.0823212 0.35 214.2183380 0.04 229.9084320 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 533.1719 Annotation Unknow Peak:m/z Relative Intensity 171.0516357 0.16 173.0994568 0.27 191.0138245 100.00 191.7190399 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 770.675 Annotation Unknow Peak:m/z Relative Intensity 228.9989319 0.02 234.0307007 0.04 235.3737946 0.03 265.2985229 0.03 266.1352234 0.02 280.2277222 0.04 281.3330688 0.06 283.5175171 0.04 299.2212524 0.04 304.5205994 0.06 310.3102417 0.09 320.0277100 0.04 321.1444092 0.11 326.0272827 0.05 327.2741699 0.22 331.4436035 0.07 335.0926514 0.03 354.3979797 0.06 369.2058716 0.03 388.4871216 0.12 392.0863647 0.05 396.6125488 0.04 399.4650269 0.06 407.4695435 0.07 411.2693481 0.02 415.5184937 0.03 427.8967896 0.10 435.2977295 0.09 452.3345947 0.06 455.7650146 0.03 457.5883789 0.05 464.2858276 0.04 467.5011597 0.14 468.9929810 0.31 474.8359375 0.16 480.4750366 0.03 483.5753174 0.04 484.4406128 0.02 486.0829468 0.04 496.0617065 0.04 501.4736938 0.16 502.3347168 0.12 505.1292114 0.23 511.4193115 0.09 513.5479126 0.18 519.6260986 0.53 520.8493652 0.05 522.3485718 0.04 524.4667358 0.07 527.2493896 0.11 529.4439697 0.03 531.2751465 0.04 535.5268555 0.02 538.3814087 0.13 542.5974121 0.06 543.3393555 0.03 544.2683105 0.24 551.3828735 0.08 552.6040649 0.05 554.9351196 0.05 559.1871948 0.08 560.5795898 0.05 561.5712280 0.07 563.1251221 0.42 565.7754517 0.06 569.4183960 0.03 570.3728638 0.04 571.5735474 0.14 572.5831909 0.21 573.3663330 0.10 576.9838867 0.04 579.0811157 0.18 579.9944458 0.03 581.4329834 0.61 582.4552002 0.08 583.5875854 0.02 584.3640747 0.03 589.9835815 0.17 594.3682251 0.02 596.3186646 0.04 597.3423462 0.25 608.2781372 0.07 610.4718628 0.04 613.9595947 0.14 616.1004028 0.05 618.6979370 0.06 619.3808594 0.11 624.0447388 0.04 625.2013550 0.01 627.9185181 0.26 628.9423828 0.07 631.3976440 0.08 633.4411621 0.07 634.9821167 0.19 638.3573608 0.09 640.3847046 0.61 641.5385132 0.08 647.2056274 0.21 648.5146484 0.11 649.1152954 0.17 650.0120239 0.25 650.6175537 0.28 651.5592041 0.14 652.4913940 0.15 655.1081543 0.16 655.9081421 0.11 664.5588989 0.12 668.4130249 0.14 669.6231689 0.58 671.5761108 0.10 673.5432739 0.05 676.5501709 1.59 677.2178955 0.16 678.5493774 0.11 681.5964966 0.25 686.4451904 0.06 688.8895264 0.09 690.2041626 0.14 692.4273682 0.05 695.2846680 0.71 696.4824829 0.12 697.3193359 0.02 698.0736694 0.19 700.5531006 0.21 702.7940063 0.02 705.1008301 0.10 705.8502808 0.33 707.6762085 0.16 709.4321289 0.04 710.1447754 0.07 713.9229126 0.02 714.6581421 0.03 717.0468750 0.43 719.1403198 0.63 720.9770508 77.98 722.0702515 3.51 723.2293091 0.94 724.3395996 0.72 725.2416382 0.42 726.0623169 0.30 727.6470337 0.52 728.7266846 0.20 729.3442383 0.66 732.8661499 0.55 733.9812622 0.23 734.6473389 0.27 736.5529175 0.36 737.9597778 0.69 739.6703491 0.19 740.8972778 0.32 741.7098999 0.30 744.7252808 0.29 746.2894287 1.43 746.9551392 0.06 748.1784058 0.34 748.9312744 0.81 749.8762817 0.26 750.9379883 0.11 751.9354248 0.14 752.8323364 0.60 753.8400879 0.21 754.6679077 0.19 755.6320801 0.47 757.4434814 0.24 759.1567383 0.88 760.1021118 0.77 760.8591919 0.07 761.7287598 0.18 762.5624390 0.05 776.7504883 0.03 781.2958374 0.02 782.7669067 0.09 793.8939819 0.36 795.5803833 0.43 796.5373535 0.23 797.3383179 0.37 797.9673462 0.17 799.5902710 0.41 800.5325928 0.11 802.1772461 0.31 805.1179810 0.23 808.0866089 0.39 810.5980835 0.05 811.4734497 0.05 813.4771118 0.11 814.8563232 0.04 816.5560913 0.05 823.7880249 0.27 825.1013794 0.11 825.8424683 0.03 826.5187378 0.12 832.6230469 0.38 834.6377563 0.32 835.3999634 0.41 836.1878662 0.16 837.4082642 0.54 838.1458740 0.31 839.8095093 0.27 845.8270874 0.33 846.9835815 0.31 850.8950806 0.39 851.6039429 0.13 852.3958740 0.15 853.8648071 0.18 854.6433716 0.26 855.7797241 0.15 856.8430176 0.08 862.2110596 0.12 863.5661621 0.39 864.6906128 0.64 865.4223022 0.10 869.3967896 0.08 870.5001831 0.19 871.3137207 0.40 874.1024170 0.07 874.8018188 0.03 876.8213501 0.49 883.3909302 0.15 884.6626587 0.13 888.7504272 0.02 890.0133667 0.20 890.6979370 0.03 891.3972778 0.12 892.4295044 0.25 894.1528320 0.95 894.8700562 0.08 897.1127319 0.46 899.1150513 0.15 901.2482300 0.33 902.4876099 1.09 903.1903687 0.13 906.2075195 0.18 909.0765991 0.19 909.6845703 0.31 911.1054077 0.06 914.6936646 0.12 915.5475464 0.07 918.2758789 0.05 920.0065918 0.52 920.6996460 0.11 924.5637817 0.12 925.4816895 0.23 927.1179810 0.13 928.0213013 0.62 928.7302856 0.44 929.5675659 0.24 930.8188477 0.25 931.4804688 0.02 933.7312012 0.01 934.4543457 0.16 936.4867554 0.20 937.8908081 0.19 941.5412598 0.24 946.5327759 0.04 947.7306519 0.08 948.7202148 0.20 950.8325806 0.07 954.6530151 1.25 955.3511353 0.13 957.4545288 0.14 958.0973511 0.09 959.6735229 0.25 960.9287720 100.00 962.0653687 2.42 962.7540894 0.72 963.9127808 0.37 965.0449219 0.29 966.0964355 0.17 967.6819458 0.11 969.1113892 0.13 969.9680786 0.13 970.7664185 0.20 971.5586548 0.06 972.2424927 0.04 973.7172241 0.04 974.5881958 0.03 976.6770630 0.08 977.5037231 0.19 978.4250488 0.21 981.1198730 0.28 982.4712524 0.16 984.0465698 0.58 985.1329956 0.31 986.4650269 0.04 991.5514526 0.17 993.0265503 0.67 994.2640991 0.31 995.0966797 0.37 996.3740234 0.19 997.7792969 2.76 998.6338501 0.12 1001.5480960 0.05 1002.5975950 0.10 1008.5273440 0.09 1014.2529910 1.49 1015.1382450 0.79 1024.5723880 0.03 1025.6483150 0.15 1026.6518550 0.05 1030.9305420 0.03 1031.7403560 0.06 1033.5422360 0.07 1035.7656250 0.13 1037.7652590 0.10 1045.6894530 0.05 1046.7215580 0.36 1047.3800050 0.11 1049.5743410 0.40 1050.3576660 0.14 1053.8393550 0.25 1054.5905760 0.32 1055.7921140 0.10 1062.3251950 0.13 1067.6684570 0.05 1071.5850830 0.08 1074.3696290 0.03 1085.6135250 0.14 1086.4271240 0.08 1088.3492430 0.03 1093.6682130 0.05 1094.5668950 0.03 1096.3494870 0.01 1099.5888670 0.18 1100.2980960 0.05 1108.1358640 0.10 1111.5910640 0.07 1116.4610600 0.04 1121.9595950 0.09 1124.4174800 0.12 1143.9388430 0.03 1150.6853030 0.04 1159.5909420 0.07 1163.7071530 0.02 1178.7082520 0.04 1190.8217770 0.05 1208.5537110 0.01 1227.9692380 0.08 1229.2312010 0.17 1254.8089600 0.17 1256.7332760 0.07 1258.6707760 0.08 1259.9053960 0.12 1261.3223880 0.08 1269.2559810 0.03 1279.6168210 0.17 1287.8907470 0.04 1289.9163820 0.04 1311.2449950 0.07 1324.6477050 0.02 1332.9437260 0.07 1344.5947270 0.05 1353.0936280 0.04 1361.1395260 0.03 1378.7893070 0.13 1386.1801760 0.03 1413.1583250 0.04 1415.2283940 0.05 1424.2930910 0.13 1435.8034670 0.08 1437.4367680 0.08 1439.8337400 0.02 1484.9896240 0.07 1493.0987550 0.06 1512.0621340 0.07 1546.9056400 0.08 1555.8670650 0.02 1571.8718260 0.02 1622.4383540 0.06 1669.0363770 0.03 1709.3586430 0.10 1737.3284910 0.02 1739.7142330 0.05 1757.7042240 0.07 1782.1691890 0.05 1788.0324710 0.09 1867.2359620 0.05 1883.9240720 0.02 1901.9411620 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 375.1293 Annotation Bartsioside Peak:m/z Relative Intensity 153.0953674 0.04 161.3563843 0.03 179.0457458 0.01 192.7662354 0.01 194.2495270 0.03 195.1544189 0.05 201.1618958 0.02 202.0455017 0.01 207.1587067 0.01 209.9747162 0.02 255.0821228 0.03 257.0780945 0.02 259.0765076 0.04 266.8293152 0.01 276.9550781 0.01 283.0515747 0.02 287.6022644 0.04 297.9292603 0.02 302.9302979 0.04 313.3114014 0.04 315.2571716 0.01 329.1775513 100.00 330.2895508 0.08 331.0627441 0.15 338.0014954 0.07 339.3203125 0.02 345.4443359 0.01 347.3411560 0.01 348.2298279 0.04 356.3293762 0.04 357.3341980 0.15 360.0833435 0.01 388.5844421 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 421.0023 Annotation Unknow Peak:m/z Relative Intensity 129.0994263 0.15 131.2678375 0.09 155.1637115 0.04 172.9694824 2.06 191.0412445 100.00 212.7499695 0.09 242.2223206 0.14 243.9938354 0.03 270.2184448 0.10 287.9667358 0.10 289.0301208 0.11 295.4385071 0.05 300.1797485 0.06 315.9867859 0.52 316.9071655 1.95 330.1080322 0.39 332.1906738 0.34 359.0173950 0.09 373.8665771 0.08 377.1083374 0.24 385.2955017 0.04 392.0356750 0.06 402.3700256 0.17 402.9898376 3.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 824.4122 Annotation Unknow Peak:m/z Relative Intensity 244.1022949 0.28 247.5552521 0.07 255.7721863 0.10 267.2537537 0.07 268.2058716 0.08 282.2677612 0.59 283.1403198 0.15 292.1099243 0.47 298.2632751 0.05 305.1060181 0.31 306.0563965 0.18 307.7385254 0.13 308.5285034 0.06 310.2377014 0.21 311.3655090 0.07 314.3136597 0.32 326.1462708 0.56 327.0769653 1.35 328.0685425 0.35 328.8913269 0.17 331.8611755 0.13 336.8723145 0.09 338.2933960 0.10 341.2418518 0.23 343.1538086 1.00 354.5205688 0.59 355.3104553 0.47 363.4291382 0.11 367.3320923 0.11 369.3761292 0.05 371.1801758 0.31 395.1400757 0.14 407.7144165 0.47 408.3721313 0.40 409.2302856 0.28 412.2446899 0.04 413.2339478 0.26 422.4974976 0.22 423.1973267 0.06 426.2994385 0.22 430.4364624 0.11 435.0191650 0.07 440.1530762 1.24 441.3231812 0.15 443.2518921 0.08 446.2695312 1.13 447.2961426 0.17 451.2034302 0.49 454.4063110 2.33 455.4290161 0.86 457.3634644 0.16 458.2564697 0.34 461.4834595 0.11 469.0836182 0.07 482.4779663 0.32 484.1612549 0.06 487.3787842 0.31 489.4215698 0.09 498.3155518 0.12 501.2863770 0.22 503.3404541 0.08 517.4042969 0.15 519.2749023 0.27 524.2127075 0.11 525.3914185 0.42 533.1523438 0.20 535.7323608 1.57 536.7727051 2.12 537.5130005 0.10 539.2256470 0.22 540.4574585 0.40 541.3343506 0.11 551.2477417 0.25 553.3085327 10.28 554.2968140 1.60 555.0276489 0.27 558.2728882 0.33 559.4145508 0.39 568.4768066 1.24 569.4933472 0.79 570.3391113 0.28 571.4306030 0.21 574.4484253 0.28 575.5614624 0.40 582.4749756 0.13 586.2206421 4.46 587.1360474 1.33 589.4619141 0.18 593.4425659 0.76 600.4231567 0.10 602.6560669 0.51 609.1273193 0.46 612.5259399 0.06 613.4264526 0.10 614.2697754 0.52 616.4927979 0.67 617.6130981 1.23 619.0685425 1.10 622.3854980 0.21 623.5745239 0.23 625.4761353 0.21 626.2984009 0.08 627.5096436 0.12 632.1881714 0.99 633.2603760 0.47 634.5755005 0.80 635.3981934 0.73 636.3897095 0.91 638.3759155 0.09 642.2770996 0.76 643.2207031 0.34 644.6862793 0.08 646.3075562 0.08 650.2393188 3.18 651.1985474 1.91 652.3815918 15.55 653.6115723 1.82 655.8521729 0.17 656.6294556 0.11 657.3726196 0.08 658.6694946 2.40 659.4677124 1.84 660.8792114 0.16 662.3048096 1.63 663.0029297 0.17 664.4802856 0.64 665.8834229 1.66 666.5951538 0.34 667.8737183 0.20 668.9927979 0.37 674.3034058 0.48 675.1058350 0.45 678.1206055 0.39 681.4971924 6.84 682.5427856 0.40 683.9207153 0.71 685.2915039 1.25 686.6056519 0.70 687.3442993 0.19 688.4885254 0.32 689.4084473 0.61 690.1309204 0.13 692.0869751 0.38 692.7655640 0.66 693.4668579 1.30 694.9590454 0.56 695.6384888 0.03 698.1316528 1.22 699.4256592 0.96 700.3899536 3.19 701.6724854 4.33 702.6434937 0.10 704.5213623 0.17 706.8550415 10.96 707.5957642 3.99 708.4037476 3.67 709.1021118 1.34 709.7145996 0.83 710.9209595 0.55 713.4536743 0.06 714.1254883 0.26 715.5729980 47.59 716.5631714 1.50 717.6250610 1.26 718.3859863 1.28 719.0354614 0.46 719.6501465 0.16 721.3944702 0.86 723.7003784 0.12 725.2037354 0.23 726.3704224 0.06 727.4231567 0.20 729.9404907 0.15 731.2923584 0.59 732.3419800 6.49 733.4570312 0.97 734.4585571 3.73 735.5194702 0.28 740.7149658 0.12 742.9176025 2.28 744.3302002 0.06 746.0426025 0.17 747.5739746 3.68 748.2461548 1.64 749.3189697 18.60 750.8313599 21.25 751.5350952 14.57 752.4780273 3.06 753.6134644 0.27 754.6684570 0.49 756.3160400 29.03 757.0437012 9.74 757.7786865 0.41 758.9287720 1.06 760.0467529 0.57 761.0816650 2.13 762.2568970 0.50 763.1248169 0.52 765.1171875 100.00 766.1670532 4.63 767.3679810 1.05 768.1591797 0.19 769.1417236 0.33 771.3189087 11.87 772.4370728 3.43 773.4572144 0.18 775.5531616 0.56 778.3302002 16.50 779.3253784 2.79 780.6159058 12.70 781.6638794 3.50 782.5413208 0.50 784.0806885 1.15 786.0165405 0.34 787.3993530 0.53 791.1536255 0.23 800.1897583 0.52 800.9489136 0.25 802.0526733 0.16 804.6236572 0.46 805.7084961 0.12 806.3534546 0.31 807.4295654 1.60 808.6392212 1.99 809.7670288 1.61 812.1416626 0.70 812.8069458 0.56 815.4882202 5.16 816.1393433 2.64 817.3894653 0.66 819.0631714 0.34 829.4640503 1.46 830.7040405 0.40 831.7439575 0.59 832.5160522 0.25 834.9869995 0.07 837.9043579 1.04 840.7387085 0.26 842.7564697 0.38 844.4992676 1.98 845.2360840 0.06 848.4076538 1.09 849.5062866 0.25 854.4004517 0.16 859.0585938 0.80 860.4757690 2.78 861.4318237 0.60 862.5383911 0.05 865.3937378 0.87 866.3704834 0.15 866.9728394 0.17 867.6386108 0.06 868.7446289 0.26 869.9533081 0.36 871.4472046 0.37 875.6928101 0.54 877.3770142 25.08 878.4335327 7.11 879.5652466 0.82 880.5805054 0.26 881.6156616 0.21 882.9611816 0.32 887.1796265 0.76 895.3994141 0.79 896.2205811 0.87 899.6674194 3.78 900.5834351 1.01 905.4940796 0.36 907.5344238 0.23 908.5794067 0.21 912.4494629 0.18 916.0946655 1.04 917.7783813 0.42 921.7505493 0.75 922.5520630 0.07 927.4951782 1.22 931.2749023 0.63 932.6345825 0.22 939.4226074 0.13 940.8278809 0.08 943.4592896 2.05 944.4808960 0.80 946.3108521 0.21 949.2766724 0.17 958.4802856 0.18 959.4887085 0.84 960.8511353 0.46 965.7649536 0.12 970.2622681 0.56 972.6782227 0.07 975.9067383 1.04 976.5352173 6.97 977.5421753 2.00 979.8173218 0.10 980.4729614 0.28 987.8269653 0.45 989.6972046 0.51 990.2987671 0.63 994.5979614 0.94 995.5645142 0.38 1002.6098020 0.56 1003.6953120 0.40 1008.6008910 0.09 1009.3422850 0.07 1010.4489750 0.20 1012.6359860 0.59 1015.1233520 0.10 1017.4116820 0.24 1022.2788700 0.62 1024.6691890 0.20 1026.8308110 0.25 1029.4904790 0.24 1030.8342290 0.09 1035.5726320 0.14 1037.2651370 0.34 1043.3400880 0.15 1044.5080570 0.89 1045.7933350 0.47 1057.4034420 0.74 1058.6013180 0.69 1059.7381590 0.09 1061.3070070 1.23 1062.6081540 4.37 1063.6318360 0.97 1064.6585690 0.26 1065.5551760 0.20 1069.9365230 0.10 1072.9305420 0.79 1073.9208980 0.17 1074.7312010 0.07 1075.3679200 0.94 1076.3032230 0.16 1079.5517580 0.46 1080.7172850 0.26 1086.1184080 0.29 1087.6217040 0.42 1088.4270020 0.15 1089.5589600 1.98 1090.6591800 0.57 1091.5761720 0.06 1096.9284670 0.25 1103.5253910 1.39 1104.5156250 0.97 1105.3958740 0.06 1108.7347410 0.80 1109.7961430 0.16 1120.8859860 0.12 1131.7872310 0.10 1134.7160640 0.13 1138.5814210 0.70 1146.7006840 0.60 1147.6654050 0.15 1156.2644040 0.19 1157.6088870 0.09 1162.5621340 0.10 1171.4658200 0.13 1177.6263430 0.16 1185.5336910 0.21 1186.4338380 1.77 1187.1262210 0.18 1187.8885500 0.52 1188.6265870 0.10 1189.5212400 0.20 1190.4311520 0.10 1191.7755130 0.65 1192.5063480 0.07 1199.4338380 0.18 1202.6541750 9.30 1203.6972660 4.87 1204.7709960 0.37 1206.5480960 0.34 1209.4119870 0.10 1218.6268310 0.20 1221.3481450 0.51 1232.8139650 0.32 1237.6795650 1.01 1256.8057860 0.33 1268.4453120 0.45 1271.2691650 0.12 1280.4478760 0.16 1284.6346440 0.64 1285.5466310 0.86 1286.6611330 0.07 1287.9536130 0.44 1297.6301270 0.25 1298.6783450 0.20 1299.8892820 0.08 1301.0296630 0.53 1301.6368410 2.89 1302.5814210 1.36 1305.5960690 0.71 1306.5562740 0.59 1307.1822510 0.07 1314.0122070 0.06 1315.7941890 0.20 1316.8791500 2.85 1317.8118900 0.47 1325.5706790 0.42 1330.9334720 0.06 1333.4464110 0.13 1338.0560300 0.14 1348.8829350 0.30 1352.9722900 0.28 1353.6402590 0.06 1355.5656740 0.15 1366.5195310 0.33 1367.7044680 0.20 1370.8862300 0.14 1375.4915770 0.21 1382.5836180 0.56 1383.6574710 3.07 1384.6094970 0.99 1385.9407960 0.13 1391.3995360 0.07 1395.8255620 0.11 1397.9479980 0.17 1398.5538330 0.40 1400.5003660 7.82 1401.6877440 4.76 1411.8404540 0.42 1412.9663090 0.65 1415.7794190 0.13 1416.8044430 0.57 1426.5255130 0.38 1429.6458740 15.91 1430.7296140 8.40 1431.3748780 0.36 1434.5864260 0.70 1435.5665280 0.57 1442.5794680 0.08 1461.0046390 0.15 1471.9455570 0.62 1476.7244870 0.07 1488.4387210 0.15 1503.4786380 0.08 1511.8819580 0.15 1513.1397710 0.04 1528.7471920 0.12 1529.7197270 0.21 1543.7337650 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 615.333 Annotation GEX 1Q3 Peak:m/z Relative Intensity 175.1415405 0.09 186.0877380 0.20 186.9316101 0.04 193.1318359 0.03 216.2004852 0.08 218.1304932 0.13 222.8520355 0.04 227.4256592 0.06 229.1087036 0.02 245.0686798 0.04 256.0882874 0.12 261.1926270 1.06 264.8781738 0.08 266.1621094 0.06 268.1254883 2.22 277.0679932 0.15 283.8542480 0.03 286.1048584 0.31 294.2459717 0.10 298.2153931 0.02 299.4552002 0.19 301.0704346 0.12 308.2621765 0.02 326.3601074 0.08 327.2000122 0.38 330.5104980 0.10 336.6336670 0.71 337.2509766 2.04 340.2574463 0.04 346.0500488 0.12 355.1517944 1.77 359.9830322 0.12 367.1029663 0.10 369.2853394 0.10 379.3645020 0.06 391.3975830 0.16 396.3795776 0.18 397.2484131 0.12 399.9216309 0.18 401.0994873 0.12 407.5808716 0.14 408.2775879 0.30 409.2702026 0.10 411.2887573 0.26 414.9556885 0.03 419.1247559 0.03 426.4226074 1.02 429.3792114 100.00 432.8862305 0.02 436.2727661 15.27 447.8333130 0.16 450.2246094 0.17 452.3558350 0.09 454.2179565 53.98 454.9174194 0.04 456.2239380 0.37 457.5491333 0.09 460.4467773 0.12 463.2796021 0.25 468.0513306 0.18 470.7410889 0.10 478.5426636 0.03 479.9145508 0.06 482.4259033 0.03 483.3668823 0.05 484.9730225 0.11 485.9455566 0.02 487.3324585 0.03 490.5249634 0.19 493.8519897 0.11 494.5817261 0.18 495.3270874 0.27 496.3137207 0.07 500.6198120 0.05 501.8984985 0.03 505.1112671 0.03 506.0725708 0.20 507.5051880 0.32 509.9334106 0.05 514.9257202 0.30 519.4026489 0.06 526.6388550 0.08 529.5902710 0.04 532.8149414 0.32 533.5721436 0.16 534.2095947 0.49 538.3932495 0.36 539.0607300 0.22 542.4005737 0.29 543.4215698 0.10 544.5454712 0.03 548.2866821 0.11 551.6655884 0.03 553.7868042 0.12 555.6410522 0.19 557.3418579 0.05 558.0162964 0.12 563.3154907 0.40 564.0827637 0.05 565.4174194 0.51 566.2920532 0.16 567.1483154 0.29 569.4358521 0.97 570.5482178 0.25 571.4553223 0.46 573.0750732 0.43 576.4553223 0.06 578.7460327 0.06 579.6641235 0.08 581.0124512 0.42 583.4107056 1.13 584.2055054 0.15 585.3425293 0.22 588.5460815 0.44 589.7375488 0.35 591.4571533 0.08 594.4177856 0.04 597.3709106 1.10 600.3197021 0.42 605.5521851 0.31 606.5009766 0.99 607.1771851 0.03 626.4585571 0.06 627.5212402 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 199.99 Annotation Unknow Peak:m/z Relative Intensity 69.0537415 0.05 72.8715515 0.09 74.1095276 0.08 82.0120087 0.09 82.9791260 0.09 84.0075378 0.07 85.0202637 0.07 87.7142944 0.08 92.9632568 0.03 94.9726562 0.02 96.7931671 0.13 97.7111053 0.09 106.1334229 0.10 107.8364716 0.03 109.0485687 0.11 110.3973694 0.08 111.1201019 0.05 112.2118378 0.06 112.8126068 0.07 114.0818024 0.04 122.0283508 0.13 125.7360840 0.12 126.9248505 0.05 128.9848633 0.04 130.8662415 0.02 134.0571899 0.07 135.9997711 0.58 137.6157684 0.07 140.1131744 0.04 141.8729401 0.24 144.1367950 0.05 145.0128632 0.05 145.9024048 0.19 151.2622833 0.08 152.8585968 0.09 154.0769501 0.24 156.0271301 0.28 156.8665466 0.18 158.8360748 100.00 159.6047211 0.02 163.9032440 0.22 168.6379547 0.14 169.9386292 0.39 171.8562164 0.65 172.7668610 0.23 175.6955261 0.23 176.8032684 1.11 178.9945221 0.12 180.3290710 0.11 182.0558014 1.52 183.0534515 0.04 183.8976898 0.05 184.5816040 0.07 185.8749084 0.38 190.9223175 1.56 199.8574371 0.21 203.9782867 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 314.1048 Annotation Amoxapine Peak:m/z Relative Intensity 104.7931213 0.02 114.1947937 0.03 132.0181427 0.01 132.9836121 0.06 160.0088196 0.45 160.9694824 3.58 192.9939117 100.00 193.7717438 0.02 225.0415649 0.27 227.1040039 1.65 267.8202209 0.02 296.2192383 0.01 297.0717468 0.03 314.0502930 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1277.5813 Annotation Scillanoside L2 Peak:m/z Relative Intensity 409.5020752 0.02 421.5825500 0.02 467.1453857 0.16 549.9797363 0.05 629.6888428 0.27 647.4345703 0.81 661.5760498 0.16 743.7457275 0.04 765.6077881 0.23 778.7915649 0.18 788.5518799 0.03 791.5673828 1.48 809.4710083 100.00 810.1834717 0.16 851.5341797 1.40 877.7810059 0.06 889.3697510 0.13 891.4003906 0.32 892.1325684 0.14 893.9027100 0.06 919.6151123 0.13 920.6188965 0.08 944.7883301 0.13 953.5196533 0.10 1013.1022950 0.04 1017.4011230 0.03 1038.1937260 0.05 1050.7503660 0.07 1089.5401610 0.15 1111.6350100 0.23 1115.4860840 0.06 1133.4545900 0.04 1160.6457520 0.11 1178.3709720 0.19 1185.3122560 0.30 1188.5983890 0.14 1194.1413570 0.18 1202.6726070 0.41 1203.3388670 0.18 1210.4125980 0.03 1215.0686040 0.24 1217.2493900 0.08 1224.3969730 0.05 1232.3818360 0.22 1233.7630620 0.07 1236.0092770 0.15 1250.3928220 0.06 1252.5113530 0.19 1255.2641600 0.03 1258.4561770 0.12 1259.5651860 0.61 1266.3408200 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 491.7354 Annotation Cupolamide A Peak:m/z Relative Intensity 146.9893494 0.15 157.1619263 0.05 165.0508575 0.12 168.9158325 0.13 172.2824554 0.19 181.9944916 0.30 185.9753571 0.27 187.0737762 0.52 189.0881195 3.82 190.0378113 0.37 203.4070129 0.18 206.0520325 0.14 209.3493958 0.15 211.3089600 0.10 213.3527374 0.67 216.2064667 0.17 222.1176758 0.09 232.2019043 0.15 232.9427338 0.12 235.1552734 0.25 236.1846619 0.08 240.2967224 0.15 241.0216675 0.06 252.4348755 0.08 255.9998474 0.16 257.1303101 0.07 258.3071594 0.13 263.0017700 1.22 264.5475159 0.05 268.8682251 0.04 274.2970276 0.05 276.2320862 0.17 286.4443359 0.12 288.4940186 0.14 297.4492493 0.21 298.2666016 0.21 300.2515259 0.12 303.3751526 0.14 312.1126099 0.09 314.2691650 0.42 315.2416992 0.27 317.0431519 1.38 317.9927979 0.29 319.2974854 0.13 330.1747437 0.20 331.9332275 0.17 334.1085815 0.69 335.5759583 0.06 342.1564331 0.10 344.3216858 0.22 350.0975952 0.55 351.2794800 0.09 352.1988525 1.76 352.8577271 0.27 359.2449951 0.07 363.1036377 0.19 364.1206665 0.10 370.9203491 0.09 372.2149963 0.23 373.2661743 0.04 374.2120361 0.14 375.1069641 0.17 375.7150269 0.25 379.2239075 0.05 380.3224792 0.28 383.1398010 0.61 384.0503540 0.67 389.2501831 0.49 390.1299744 0.15 390.9922485 0.12 391.9003906 0.94 394.1898804 0.26 395.0803528 0.13 396.2891235 0.20 397.6992798 4.01 398.3584595 1.83 399.1558228 0.55 400.6285706 0.27 401.9696350 0.32 402.8312073 0.82 405.4598999 0.21 407.1042786 0.36 409.6280823 2.84 412.3096008 0.22 413.0309448 0.04 414.5186157 0.20 415.8845825 1.38 416.5387878 0.14 417.1792297 0.45 423.3339539 1.23 424.7411804 2.62 425.4031372 0.86 426.2498779 0.19 428.0552063 0.16 429.4372864 0.88 430.4299622 0.94 431.2391663 0.10 433.3023376 25.29 433.9634705 6.59 434.8863220 0.29 436.2863464 0.43 438.6594543 17.13 439.4410095 3.28 440.5971375 0.55 442.8352356 1.22 445.0964661 1.22 447.3767395 100.00 448.4258118 3.16 449.1737366 2.16 450.1921082 0.95 451.4485779 0.36 452.7955322 0.16 454.7674255 0.26 458.3022461 0.40 459.5525513 0.25 467.8364563 0.58 472.3179016 0.12 473.3986206 0.18 474.0536499 0.49 475.5135803 0.63 476.2710876 0.39 478.4451599 0.58 479.3646545 0.17 480.3746643 0.45 482.4536743 0.74 483.2289429 2.28 484.1361389 0.80 485.7697144 0.70 506.1303406 0.30 509.3542175 0.14 515.5211182 0.09 521.3436279 0.25 528.2994995 0.12 535.2952881 0.07 537.9984741 0.09 538.8706055 0.15 540.4083862 0.18 543.0650024 0.56 543.6948853 0.25 544.3258057 0.17 549.4834595 0.07 558.3269653 0.20 559.0849609 0.29 560.5275879 0.98 561.8131714 0.49 562.7424316 0.40 566.9424438 0.73 567.8294067 0.20 569.4610596 0.10 571.1691284 0.66 572.2664795 0.69 573.0923462 0.27 576.3680420 0.27 577.5051880 2.02 578.1660767 0.42 578.9570923 0.69 580.1232910 1.44 581.1884155 0.37 586.3181152 0.09 587.9539795 0.30 590.3067017 0.17 590.9358521 0.61 593.4189453 0.27 599.6963501 0.45 600.5263672 0.13 601.4514771 0.40 610.1516113 0.26 611.1331787 0.45 611.9969482 1.50 613.5811157 0.32 614.3903198 0.25 615.1027832 0.50 617.6012573 0.47 618.5203247 0.40 631.3854980 4.49 632.4363403 0.92 635.0950928 0.64 637.8567505 0.05 644.3997192 3.20 647.4232788 0.11 650.5161743 0.44 654.9878540 0.19 656.5652466 0.17 657.9368286 0.25 660.4872437 0.43 663.1707153 0.26 666.5092773 2.09 667.4066162 0.50 668.3643188 0.08 669.7363892 0.48 678.6973877 0.24 680.2014771 0.66 685.2119141 0.50 686.1876831 0.20 687.3657227 0.15 688.5236206 0.12 691.2855835 0.33 707.5680542 0.18 708.5175171 0.29 709.5744629 0.36 712.7113647 0.31 714.2616577 0.14 715.4690552 0.18 718.2823486 0.52 723.7697754 0.04 728.7747192 0.19 730.5354614 0.67 731.4728394 0.23 744.7558594 0.79 745.6077271 0.15 746.4716187 0.11 747.0966797 0.06 748.3704224 0.23 755.8101196 0.06 756.7721558 0.16 759.6346436 0.23 762.6921997 2.12 763.6380005 0.32 765.0720825 0.40 765.6896973 0.11 766.5148315 0.26 767.4357910 0.14 776.3699341 1.09 777.3703003 1.41 778.3490601 0.57 782.8050537 0.12 783.4834595 0.09 794.4235229 36.41 795.4694824 11.69 796.6003418 1.16 799.6483765 0.07 804.5687866 0.37 821.0124512 0.41 847.8394165 0.14 849.5161743 0.20 851.4250488 1.75 852.5722046 1.28 853.1943970 0.11 855.4997559 0.16 858.9370728 0.18 867.6537476 0.57 879.7145996 0.06 893.4279785 4.42 894.3659058 2.26 895.5212402 0.05 925.6841431 0.11 928.6637573 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0712 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 84.9484024 1.09 89.3037262 0.59 105.0469818 0.91 110.9392242 0.40 112.9167328 0.63 113.9865875 0.94 115.0500488 1.18 116.9305573 0.89 124.1470642 0.65 125.1267853 1.18 126.8083649 0.38 131.036377 0.46 134.9814606 1.76 136.9610138 1.15 138.2215271 0.89 139.0245819 0.29 146.0523224 0.52 146.7348785 0.67 148.8159485 3.25 161.0087128 2.87 163.0506897 4.22 164.9082184 2.34 169.1322479 0.99 174.9241333 1.17 177.0814972 6.13 179.0984192 2.95 180.0661621 0.82 181.0157471 1.81 187.1225891 0.22 189.238327 2.94 191.235611 3.95 193.2612762 0.45 195.2197723 2.66 203.1628723 0.31 205.1190033 3.96 206.1269379 3.02 207.1040039 10.51 208.0380096 4.66 209.0692749 4.44 215.0059052 1.32 221.0975342 2.94 222.0057526 6.73 223.0418091 23.94 223.8587799 1.65 233.0457001 14.38 235.1937103 1.27 236.2863007 0.88 251.0702667 100.00 252.1010895 15.96 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 876.7006 Annotation Unknow Peak:m/z Relative Intensity 250.0933075 0.11 267.3063660 0.09 285.5858154 0.17 303.0187988 0.07 315.0715332 0.16 325.1301270 0.05 329.1444702 0.10 338.3916321 0.07 343.3438110 0.09 350.0452576 0.31 355.4652710 0.06 356.4337463 0.17 361.2111206 0.05 362.2434082 0.18 369.1142578 0.08 388.4902344 0.14 397.2738037 0.16 414.1453247 0.51 423.2702637 0.45 424.5220947 0.22 437.0964355 0.30 440.4234619 5.35 441.4582520 0.53 458.4057617 27.61 459.3291626 2.67 459.9434204 0.10 463.3105469 0.18 473.2350464 0.54 483.5062866 0.16 484.4000854 0.14 500.2349854 0.46 508.5427856 0.09 519.5231323 0.47 523.2943115 0.75 524.3485107 0.40 532.4361572 0.10 539.3978271 0.27 540.4269409 0.24 557.5043335 2.25 558.4373169 0.15 559.6687622 0.32 566.6436157 0.10 569.2749634 0.05 570.2279053 0.11 577.8587036 0.60 608.2732544 0.24 620.7349854 0.18 624.5830078 0.05 637.2849121 0.14 643.7754517 0.33 648.5935669 0.07 649.4105225 0.08 651.5911255 0.17 653.0935059 1.01 654.6414185 0.95 661.4777222 0.18 667.3903809 2.52 668.3930054 1.16 673.2473145 0.17 679.4132690 0.05 683.3536987 3.30 684.5468140 0.61 686.7646484 0.25 687.5845337 0.41 689.0181274 1.62 690.3479614 0.16 694.0261841 0.81 695.6376343 0.33 700.1709595 1.20 703.5676880 0.19 705.5410767 0.19 706.7996826 0.73 707.7730713 0.26 716.5491333 0.69 717.7813721 0.39 720.3288574 0.08 722.9273071 0.14 732.8042603 0.18 752.3810425 2.56 753.3796997 0.86 768.6032715 0.45 770.4830933 0.19 772.5413818 1.77 783.2760620 0.44 784.5914307 0.12 786.5823364 1.46 787.5274048 0.29 788.6116333 0.31 789.7290039 0.47 800.5037842 0.78 801.5567017 1.39 804.2222290 0.13 806.1146851 0.16 817.5350952 0.61 819.3392944 0.59 820.7734985 0.19 822.3445435 1.11 824.4285278 0.64 825.2505493 0.57 826.3927612 0.54 828.2129517 0.28 829.2874146 0.24 831.2567139 0.09 833.3463745 1.13 834.2151489 0.43 836.2578735 1.18 837.2774658 0.87 838.0879517 0.26 838.7858276 0.23 840.6171265 0.79 841.2443848 0.31 844.3480835 2.25 846.9333496 11.47 847.8720093 0.16 848.9559326 0.53 851.1701050 7.24 852.1431885 0.97 853.0394287 0.43 853.8703613 0.20 854.5767822 1.28 855.8133545 0.26 857.6398926 0.90 858.3908081 0.07 859.6190186 0.16 864.5127563 4.94 865.5752563 0.31 866.6461182 0.68 867.9678955 0.72 870.4390259 0.09 872.2003174 0.50 877.4544067 0.17 886.3981323 0.12 895.4855957 0.68 902.1215820 5.66 902.8294678 1.37 917.2624512 0.29 920.1823730 0.24 925.5043335 0.21 928.6503296 0.22 934.1384277 0.30 934.8125610 0.66 935.6890259 0.09 940.1530762 1.61 940.7562866 0.59 947.2194214 0.16 950.6938477 0.26 951.6373901 0.43 954.5320435 0.57 963.6071167 1.47 964.4998169 0.13 977.2830200 0.77 978.1574097 0.96 983.5854492 28.78 984.7933960 0.96 985.4407349 0.23 986.5925293 0.25 989.5952148 0.37 992.9035034 0.33 995.4812622 0.22 999.7136841 0.87 1001.3131710 0.52 1002.2272950 0.32 1006.6815800 1.72 1007.4846190 1.79 1008.1325070 0.12 1008.7684940 0.06 1010.2197270 2.20 1010.9920040 4.62 1011.7146000 0.31 1013.8001100 0.54 1016.4345700 100.00 1017.5078740 1.70 1018.4470210 1.11 1019.0665890 0.70 1019.8845830 0.91 1021.1174930 0.17 1022.0071410 0.20 1023.4809570 0.35 1025.2825930 0.60 1026.6840820 0.18 1030.8862300 0.17 1032.0466310 0.21 1034.5113530 0.05 1041.3680420 0.29 1044.2655030 0.08 1049.0275880 1.72 1049.6337890 3.39 1050.3430180 0.45 1054.5102540 0.25 1056.6528320 0.17 1065.3728030 0.07 1067.4099120 0.20 1072.7568360 0.18 1092.2628170 1.21 1092.8802490 0.55 1096.3950200 0.37 1097.9061280 0.97 1101.3278810 2.18 1114.9321290 0.90 1119.1768800 0.71 1122.1892090 0.70 1134.9912110 1.09 1139.8780520 0.23 1149.2049560 0.37 1149.8999020 0.27 1162.2993160 0.35 1169.1629640 0.33 1175.2607420 0.54 1179.5849610 4.51 1180.2369380 0.31 1181.0075680 0.32 1183.3000490 0.17 1187.9737550 0.18 1189.7287600 0.27 1191.3626710 0.08 1192.7160640 0.08 1194.8503420 0.40 1202.6818850 0.14 1212.5852050 0.52 1236.0183110 7.02 1236.6926270 0.45 1258.4769290 0.29 1269.0170900 0.32 1277.6644290 0.06 1302.7552490 0.08 1304.8009030 0.31 1306.3413090 0.10 1316.1479490 0.13 1317.4732670 5.81 1318.3240970 3.03 1353.0093990 6.04 1354.1010740 1.62 1376.7824710 0.27 1410.7452390 0.24 1417.7176510 0.21 1432.8564450 0.18 1444.6307370 0.29 1453.9962160 0.14 1461.8973390 0.05 1474.7802730 1.37 1475.4185790 0.80 1476.0334470 0.10 1486.1793210 0.31 1498.7418210 0.30 1503.6943360 0.14 1504.8596190 0.28 1514.6759030 0.09 1515.3255620 0.25 1516.1389160 0.05 1544.0123290 0.26 1545.0844730 0.18 1572.9874270 0.32 1609.0021970 0.23 1643.8421630 0.06 1644.8880620 0.29 1646.3347170 0.08 1672.8171390 0.25 1716.8529050 0.19 1868.1579590 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 795.4518 Annotation Mabiogenin 3-[rhamnosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 265.2787170 0.20 425.3962402 0.04 429.4218140 0.04 469.6037598 0.18 470.5531616 0.06 471.4777222 5.27 547.1005249 0.18 567.3980103 0.04 614.7265015 1.14 615.6210327 8.35 631.7879028 1.80 633.4551392 100.00 634.4231567 0.79 647.0885010 0.02 649.4751587 0.04 675.4332275 0.09 697.4653931 0.18 707.8775024 0.03 716.8912964 0.06 749.4891968 0.02 751.2819824 0.06 755.6089478 0.22 759.0252686 0.14 767.2396851 0.11 775.0453491 0.16 776.9964600 1.01 777.6773071 1.86 785.7290649 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1261.5863 Annotation Unknow Peak:m/z Relative Intensity 381.9572449 0.02 390.3640747 0.02 396.4236145 0.01 408.5504761 0.01 423.0574341 0.01 425.3948059 0.03 426.3559875 0.01 449.1903076 0.01 467.3028259 1.08 468.1664429 0.27 469.4167786 0.07 470.5003052 0.10 485.5015564 0.02 524.8848877 0.01 538.0597534 0.02 576.5106201 0.03 587.1794434 0.01 613.7635498 0.05 614.6515503 0.10 631.5516357 1.34 632.4923096 1.61 633.7479248 0.16 652.3854980 0.01 688.2186890 0.02 728.5850830 0.06 740.4955444 0.20 759.0634766 0.01 775.7966309 0.49 776.5884399 0.77 777.8881226 0.01 793.5731812 44.90 794.4930420 100.00 795.5808716 5.89 835.4337158 0.40 836.5825806 0.55 837.4528198 0.18 838.0980225 0.01 875.5969238 0.10 876.4174805 0.12 877.4403076 0.03 937.6876221 0.05 938.5108643 0.09 939.1611328 0.02 1029.4818120 0.03 1117.3957520 0.02 1118.3812260 0.06 1119.5935060 0.13 1160.6262210 0.12 1200.8291020 0.04 1221.9171140 0.01 1225.8852540 0.03 1232.9929200 0.04 1244.3710940 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 306.08 Annotation Glutathione Peak:m/z Relative Intensity 99.0123978 0.48 113.1082764 0.04 115.9756470 0.19 120.0089264 0.09 125.0008469 0.10 125.9829559 0.10 127.1031799 0.05 128.0490875 7.87 130.0788269 0.11 135.0690918 0.04 141.2086639 0.10 142.9774780 7.70 143.8692017 0.12 145.1916809 0.64 146.0986938 0.66 152.9115143 0.03 155.1369171 0.15 159.9338837 9.01 166.2373352 0.14 167.1034088 0.42 169.1117859 0.07 170.9228058 1.09 171.5451050 0.11 177.0260010 6.75 179.0421600 8.31 183.3772888 0.07 184.9889221 0.68 195.2193298 0.07 197.1410828 1.36 202.9793091 0.12 210.1007080 3.83 211.1476746 0.06 213.0377808 2.02 215.0332947 0.06 224.3021851 0.13 228.2717285 0.71 231.0220642 0.90 236.2026672 0.70 237.0625916 0.08 242.1091309 1.02 244.1558838 0.21 254.0786743 81.47 259.3362427 0.07 261.9218140 0.22 263.1565552 0.06 272.2150879 100.00 288.0540771 57.84 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 440.1476 Annotation Unknow Peak:m/z Relative Intensity 132.9577789 11.08 143.9960480 0.27 161.8666840 1.26 179.0492249 9.17 183.2651062 0.06 191.0926208 0.03 208.0738831 0.19 233.0552063 1.06 245.2101135 0.05 272.3445740 0.08 290.0871582 0.34 294.2526855 0.05 308.1086426 100.00 310.4009399 1.09 311.0993347 9.75 336.7235413 0.08 359.2525940 0.16 365.1224060 1.68 372.1714783 0.01 422.0057068 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 556.2 Annotation Acrimarine-N Peak:m/z Relative Intensity 160.0848999 0.27 166.0878906 0.02 167.1356049 0.18 170.1365204 0.07 171.0274811 0.20 177.1035156 0.29 179.0677948 1.42 180.1440125 0.05 185.1960449 0.19 192.1367798 0.09 196.9814911 0.16 200.0319519 0.01 210.0773621 1.25 211.3724976 0.02 213.0293121 0.09 214.4631042 0.03 219.2991180 0.03 228.2017822 0.19 231.0057068 0.06 232.2620850 0.05 232.9289703 0.01 236.1421509 0.21 241.9750061 0.20 254.1748352 6.07 258.9112549 0.10 270.1002808 0.01 272.1810913 5.85 279.3112793 0.04 288.1889648 4.11 296.3930054 0.02 306.1467285 100.00 307.1824951 0.08 327.3131714 0.09 338.1975708 0.01 340.3449707 0.05 346.9243774 0.02 348.2561035 0.04 362.3167725 0.01 363.4155273 0.02 364.3877563 0.01 375.2997437 0.02 383.2161255 0.04 384.2729492 0.11 389.5290527 0.02 392.9971924 0.15 394.6372070 0.02 397.4644165 0.02 410.4046021 0.01 412.0946045 0.07 426.4877930 0.71 427.2672729 0.03 430.1116943 0.03 435.1572266 0.08 437.3450317 0.02 441.5984497 0.01 454.4623413 0.03 458.4852295 0.02 466.9536133 0.01 468.2540283 0.02 469.3463135 0.01 475.4633179 0.07 477.3256836 0.03 494.4938354 0.34 496.5026245 0.14 506.4703979 0.07 509.0601807 0.28 509.9096069 0.29 510.6638184 0.16 511.5714722 0.09 512.3665161 0.35 517.6208496 0.04 519.3025513 0.05 520.5439453 0.11 522.4600830 0.06 524.1802979 0.09 525.1829834 0.03 526.1959229 0.11 527.6005859 0.01 532.9435425 0.15 537.5039673 0.15 538.5219116 0.04 539.3694458 0.03 541.3123169 0.03 548.0008545 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 638.8279 Annotation Unknow Peak:m/z Relative Intensity 185.1278076 0.07 197.1313782 0.04 201.1899719 0.08 205.0392456 0.11 211.0039520 0.08 213.1359253 0.26 215.0859375 1.20 220.1407471 0.17 225.0679321 0.24 226.0949860 0.08 229.2337952 0.04 235.3082886 0.14 242.1988678 0.12 243.0863190 0.62 243.9833679 0.26 244.9458313 0.31 247.1553650 0.05 251.0826416 0.05 253.0848846 0.18 254.2013245 0.95 258.2301025 0.15 260.4235840 0.11 262.4675293 0.19 267.1001587 0.10 270.3817749 0.12 272.4549561 0.04 278.1897583 0.12 278.9033813 0.13 285.9993591 0.06 290.0513306 0.11 296.0118408 0.51 307.7570190 0.25 308.3797302 0.05 313.1451416 0.16 315.3130493 0.29 316.5922546 0.11 318.1467285 0.17 321.8478394 0.47 325.1955566 0.45 326.3041382 0.05 327.2622681 0.07 330.1036377 0.07 334.2788086 0.10 335.4141235 0.20 338.4329224 0.06 341.5533447 0.13 343.4099731 1.33 344.2167358 0.19 345.1010742 0.21 346.1291504 0.06 349.1973877 0.41 354.3273926 0.11 355.3226929 0.98 359.7439575 0.55 360.6472168 0.24 361.2878418 2.44 363.0769653 0.74 364.1997681 0.28 368.2889404 0.20 369.3580933 0.05 371.8320923 0.15 373.0504761 0.10 381.6799316 0.08 385.3272705 0.21 388.1050415 1.31 390.3049927 0.05 391.0982056 0.05 397.0802612 0.23 398.1828003 0.06 401.0050049 0.20 405.2446289 0.13 406.2855835 0.50 407.2385254 0.08 408.5361938 0.17 414.1967163 0.69 415.3434448 0.08 418.0968628 0.10 420.2995605 0.27 422.7897339 0.31 426.2689819 0.05 428.2513428 0.27 429.4447021 0.30 432.5477905 0.19 434.0786743 0.45 436.4256592 0.68 438.7423096 0.26 440.4079590 3.22 441.1744385 0.23 442.8088989 0.05 443.6567993 0.06 444.6225586 0.11 446.2966309 0.27 449.0055542 0.29 449.8193970 0.07 451.1968384 0.13 451.9088135 0.15 453.1903076 0.13 454.5942993 0.24 458.3281860 100.00 459.2481689 7.25 460.2163086 0.08 461.2871094 0.19 462.0463257 0.34 466.2448120 0.14 472.3204346 0.40 477.0712280 2.79 478.1649170 0.54 479.2725220 0.10 482.3102417 0.26 485.3272095 0.30 487.1911621 0.23 487.9316406 0.06 489.9030151 0.41 491.3885498 0.16 494.0661621 0.45 502.3628540 0.16 504.1620483 0.25 505.0055542 0.46 505.9944458 0.21 507.4588013 0.59 508.5322876 0.22 509.3259888 0.82 510.0190430 0.05 510.9814453 0.18 512.3413696 0.06 513.3706055 0.11 516.9020386 1.23 517.9091187 7.49 519.1057129 0.15 519.8023682 0.55 521.2094116 0.15 523.4068604 0.35 524.5428467 0.21 525.3350220 0.22 529.8464966 0.40 532.0133667 0.37 534.6568604 0.26 536.5740356 0.20 539.5614624 0.18 544.1946411 1.18 544.8800049 0.71 548.3285522 0.04 549.2364502 0.24 550.1375122 0.14 550.8941040 0.52 557.5803833 16.35 558.4544067 0.56 563.2278442 0.22 564.1392212 0.42 566.6929321 0.67 569.6898193 0.76 570.4799194 0.06 572.2006836 0.77 573.1259766 3.34 574.2365723 1.58 575.3941040 0.12 577.5698853 1.09 578.5192261 1.31 580.7911987 0.59 581.6490479 0.24 582.9047241 0.42 585.0696411 0.04 586.3659668 0.75 587.3375244 7.07 588.1186523 0.20 589.4516602 0.49 591.2628174 2.81 592.2280884 0.19 593.2089844 0.51 594.8597412 0.66 596.3721313 0.30 599.4556885 0.07 600.5657349 0.34 603.1520386 0.47 604.5739136 2.15 605.7289429 1.29 607.0382690 0.12 608.3214111 0.49 609.0051880 1.34 612.4921265 0.30 613.5204468 0.65 614.6983643 0.70 615.7865601 1.08 616.4088745 0.39 617.5200806 0.25 618.7235718 0.15 620.6810303 8.14 621.3444824 5.16 622.2942505 0.97 623.1182861 1.34 624.5161133 0.54 625.6495972 0.04 626.2727661 0.09 626.9956665 0.34 629.6671753 5.83 630.6913452 0.76 636.3842773 0.39 638.7669678 0.12 652.8187866 0.26 655.9561768 0.43 656.6961670 0.33 657.6108398 0.04 668.6040649 0.38 670.1891479 0.63 671.4214478 0.21 673.2749634 0.22 675.0808716 0.97 676.3045044 0.08 677.3184204 0.08 685.2117310 0.75 686.5143433 7.03 687.3501587 1.37 688.4351807 0.09 690.0426636 0.15 696.3760376 0.10 697.7658691 0.14 699.6717529 0.42 702.4142456 15.33 703.3694458 5.35 704.6422119 0.37 705.6082153 0.27 706.5164185 0.28 712.1286011 0.12 712.9100952 0.34 718.2920532 0.22 720.3434448 4.13 721.4895630 0.08 727.1672974 0.22 729.2644653 0.14 731.3922729 0.14 734.3302612 0.44 735.3731689 0.40 740.7386475 0.27 745.5006104 0.17 750.4529419 0.24 753.9765625 0.65 755.4346313 0.14 756.3431396 2.55 757.0747681 0.80 758.0870972 0.07 761.8672485 0.60 763.5733643 0.18 764.7513428 0.42 765.4614258 0.04 766.1856079 0.09 768.6834106 0.09 770.1892700 0.95 771.6972656 0.24 772.6224976 0.70 773.2754517 1.76 774.1715088 0.45 776.9309082 0.15 777.6212769 0.60 779.9107666 0.39 782.9849243 0.94 784.1483154 3.04 785.1914673 0.69 786.1369629 1.69 787.0680542 0.74 788.5930176 0.22 791.4111328 1.46 796.3244019 0.19 797.8549194 0.19 800.4454956 12.81 801.3099976 21.22 802.2758179 25.01 803.2922363 2.21 805.1663208 0.03 806.9121094 0.25 810.5411377 0.73 811.4524536 0.84 816.5143433 0.08 817.7995605 0.14 819.3422852 35.67 820.3707886 2.98 821.2809448 0.71 823.8193970 0.14 827.6592407 0.24 828.3358154 0.34 832.7787476 0.24 835.3582153 0.14 842.3590088 0.10 843.2022705 1.10 844.5068359 0.17 847.6420288 0.29 849.2199707 0.21 854.4988403 0.10 855.4260254 0.57 857.7008667 0.16 862.0017700 0.20 863.2196655 0.39 864.6030273 0.06 871.5393066 7.10 872.5971069 1.24 873.8886719 0.17 876.4314575 0.05 880.3132935 0.12 881.9165649 0.53 882.7942505 0.24 883.9562378 0.38 884.8354492 0.24 886.1133423 0.24 890.5139160 0.05 892.0449219 0.33 892.7517090 0.25 893.6025391 0.06 896.9384766 0.16 898.0604858 0.37 899.5842896 0.86 900.7597046 0.83 905.6394653 0.08 906.7843628 0.11 911.4080200 0.10 916.5437622 1.56 917.3204956 0.31 920.3318481 0.08 930.4168091 0.14 931.6652832 0.77 943.3617554 0.10 944.5824585 0.31 951.1845703 0.19 963.6936646 0.42 964.8850098 0.27 970.3432007 0.20 972.6751099 0.38 973.5534668 0.06 974.6649780 0.12 983.4745483 0.05 984.4948730 0.04 1014.7256470 0.06 1029.6032710 0.75 1031.5772710 0.06 1034.7044680 3.67 1036.6630860 0.24 1037.4910890 0.31 1041.7401120 0.15 1045.2498780 0.26 1049.5913090 0.14 1053.4887700 0.08 1054.5974120 1.21 1055.7502440 0.29 1067.0422360 0.04 1070.5036620 0.10 1071.8596190 0.48 1072.6234130 1.39 1074.1003420 0.15 1076.8649900 0.19 1129.0761720 0.09 1137.6405030 0.34 1142.8249510 0.06 1144.7718510 0.20 1155.5777590 0.54 1158.8081050 0.15 1162.5853270 0.18 1173.6724850 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 557.1644 Annotation 4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin Peak:m/z Relative Intensity 168.9972687 2.73 169.9067078 0.90 174.9291687 0.16 175.6781006 0.16 176.9858704 100.00 178.0406799 12.10 178.9817505 0.65 182.1870422 0.07 185.3090363 0.15 192.9780884 0.22 197.0503845 0.19 199.2088013 0.10 200.1263123 0.12 201.2358704 0.35 204.4244690 0.16 208.7366486 0.30 213.0896606 0.12 214.8655548 0.26 216.1571808 0.11 217.3365479 0.26 218.8631592 0.18 221.0090027 1.34 227.0267029 0.14 229.0518188 0.51 232.7576599 0.12 237.1955414 0.10 243.1239471 2.49 244.3612823 0.36 245.1446381 0.32 247.1607361 0.79 248.2927551 0.13 253.1541443 0.15 254.1097107 0.46 255.1368103 0.14 257.2215271 0.91 259.1585693 3.09 260.2910156 0.64 261.2172241 0.69 262.1197510 0.09 264.1102295 0.10 267.9553223 0.08 272.2446899 0.09 275.1495972 0.38 285.0994568 13.60 286.1689453 3.39 303.0109253 27.28 304.1327515 6.37 316.8391724 0.06 321.0478516 1.09 322.8280029 0.06 325.3308105 0.48 326.2250977 0.05 329.0896606 0.14 336.4780884 0.26 342.8007202 0.13 344.9682617 53.40 346.0846558 16.04 347.0822144 0.27 353.0220947 0.19 355.1916504 0.13 366.9765015 0.08 377.2062988 0.23 398.0759888 0.09 409.3019409 0.06 411.1978760 0.31 412.4186401 0.11 419.3094482 0.17 428.1125488 3.01 429.1442871 0.15 431.0702515 0.25 434.1873779 0.12 454.3333740 0.16 478.7165527 0.13 482.3785400 0.06 483.2493286 0.17 497.1812134 0.72 498.6031494 0.31 499.4293823 0.15 509.0786133 0.10 512.5160522 0.16 514.2481079 0.26 520.0075073 0.17 522.4235229 0.21 523.2847290 0.20 525.2496948 0.40 538.5500488 0.35 539.2102661 0.32 540.1503906 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 824.2725 Annotation Unknow Peak:m/z Relative Intensity 233.0623322 0.05 234.0893860 0.04 235.0511780 0.03 238.3011475 0.05 251.0447845 0.03 253.7219391 0.03 255.4116821 0.05 268.0170898 0.17 269.0543823 0.26 271.2244263 0.05 276.1202087 0.05 287.1198120 0.44 288.1383057 0.03 290.2168884 0.08 299.3037109 0.03 302.3827515 0.01 305.0905457 0.22 308.1223755 0.62 323.0942993 0.27 324.3035889 0.11 329.2250671 0.06 330.2462769 0.10 341.2544556 0.14 352.0360718 0.01 353.0067749 0.03 354.0627747 0.02 359.4555664 0.03 362.0232544 0.09 370.4607544 0.03 372.2299805 0.09 380.1735840 0.03 381.0981445 0.01 381.9285278 0.03 385.5337524 0.15 391.2445068 0.03 394.9651489 0.01 397.0085449 0.05 397.6394653 0.03 398.2946777 0.66 399.3073730 0.25 413.2894897 0.10 416.2440186 6.08 417.1851807 1.03 425.2749634 0.04 433.5800781 0.16 434.1947021 1.91 435.0678101 0.20 435.6806030 0.01 452.2355957 4.08 453.3162842 0.31 455.4396973 0.02 458.2924194 0.01 467.1039429 0.02 468.2039185 0.04 470.1760254 3.83 471.2136230 0.17 476.5294800 0.01 479.1696777 0.33 482.0021973 0.29 482.9899902 0.11 485.3477173 0.69 486.1442871 0.02 494.1604004 0.02 497.3309326 0.46 498.1674805 0.18 500.1182251 0.58 503.0189209 0.10 505.0043945 0.04 509.3778687 0.04 514.7610474 0.34 515.4091187 0.02 516.0245361 0.01 529.0951538 0.04 532.4368286 0.01 533.1986694 0.57 534.2315063 0.09 535.0139771 0.09 541.9102783 0.19 548.1687012 0.08 554.8048096 0.04 560.3594971 0.15 561.1011963 0.03 563.8897095 0.02 569.3124390 0.25 570.3226929 0.05 571.2713013 0.02 572.0396729 0.04 578.1483765 0.64 579.3773804 0.12 587.6276855 0.02 588.3867798 0.04 589.1945190 0.01 590.2896729 0.89 591.2705688 0.13 593.5698853 0.02 596.2056274 0.66 597.1472778 0.15 603.2869873 0.02 608.2227783 7.14 609.1955566 0.73 614.2546387 1.71 615.3943481 0.38 622.7278442 0.02 623.9000854 0.05 626.1331177 11.30 627.2212524 3.07 632.1726074 3.11 633.1563110 0.72 640.5404053 0.12 641.8350220 0.06 644.1727905 30.61 645.2561646 4.36 650.1053467 0.17 650.8654175 0.06 660.6829224 0.07 662.1939087 100.00 663.2487183 10.76 664.5079346 0.05 668.1237183 0.08 671.4022217 0.05 677.2802124 0.49 678.4012451 0.23 679.0277710 0.02 681.4744263 0.01 686.1851196 0.09 694.9296265 0.08 696.3231812 0.19 701.2396240 0.11 704.5481567 0.07 714.5076294 0.02 721.7924805 0.08 723.3807983 0.14 726.1482544 0.02 730.6209717 0.02 734.2233276 0.10 736.5794067 0.04 739.7438965 0.04 744.3979492 0.10 749.7464600 0.01 752.2688599 0.06 757.3623047 0.04 767.5376587 0.12 768.1430054 0.03 770.1055908 0.59 771.0863647 0.43 780.2864380 0.07 781.1399536 0.05 788.3595581 1.29 789.0556030 0.41 790.4542847 0.03 791.4356079 0.11 792.9863281 0.05 801.1827393 0.11 804.1574097 0.07 806.2043457 11.79 807.2522583 2.99 810.6400146 0.08 812.5783081 0.15 817.9628906 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 504.1631 Annotation Unknow Peak:m/z Relative Intensity 144.0239410 0.45 147.0642395 1.60 157.1400909 0.19 160.8960876 0.12 162.0196838 3.36 170.0846710 0.09 175.1227417 0.07 177.0497437 0.28 179.0429688 18.32 187.2318726 0.19 195.2493286 0.21 196.9317322 7.08 214.0793762 0.52 214.9870148 0.62 221.1488037 0.03 223.0502167 0.14 230.2204437 0.11 232.1095123 0.26 233.1386566 2.73 237.1002045 0.10 245.3207703 0.09 265.2026978 0.28 271.8907166 1.70 276.4137878 0.05 283.2116699 0.17 290.1063232 0.83 291.2779236 0.29 296.2496948 0.07 300.3149109 0.24 306.0953674 0.05 308.1263733 100.00 309.5006104 0.07 328.3084717 0.18 329.3096313 0.25 331.1282043 0.32 342.1349487 0.24 343.3330078 0.06 345.1737671 0.14 357.1030884 0.20 367.5390320 0.06 369.9706116 0.13 371.6648560 0.11 374.5370789 3.50 375.1617126 10.92 383.0902710 0.14 385.1554871 0.24 388.7112122 0.09 396.9679871 0.04 414.2045593 0.18 415.3190613 0.35 417.3128052 0.18 429.3176270 0.24 439.7232361 0.36 441.1265564 0.04 445.4420471 0.20 452.1303711 0.07 454.3132629 0.18 456.9474792 0.32 458.9077454 0.27 460.4158020 0.38 474.3201294 0.10 476.4928589 0.29 485.4347534 0.70 486.3563843 1.09 487.2483826 0.07 492.1057739 0.12 493.2223816 0.05 494.8142395 0.97 498.0077820 0.80 513.5146484 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 371.1193 Annotation Unknow Peak:m/z Relative Intensity 127.0217819 0.15 165.2571106 0.12 173.0950012 0.14 179.0564880 0.47 191.0175629 100.00 221.1240845 0.06 310.7133179 0.09 323.3991699 0.11 324.1001892 0.14 325.1839600 1.29 335.1877136 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 230.99 Annotation Diketogulonic acid Peak:m/z Relative Intensity 69.9156952 1.07 70.9806824 0.19 71.9606934 0.37 84.8283539 0.38 86.0262756 0.11 94.8647461 0.41 98.0828705 0.35 99.8899536 0.15 110.2428284 0.36 114.1297760 0.11 115.0905457 0.19 116.0706329 0.23 119.0189972 0.18 121.0740204 0.23 123.0363617 0.11 124.0154572 0.45 125.0969543 0.56 126.1568146 0.15 127.0243073 1.61 129.0999756 0.65 130.0875702 0.35 138.1519775 0.41 139.5131989 0.46 141.0619049 0.61 141.9287872 5.40 143.0684662 4.56 147.6431580 1.12 150.8476868 0.59 152.9323883 0.59 156.1373749 0.36 157.1923676 0.35 159.0060883 2.95 160.0326843 0.20 161.0168915 0.52 166.0829010 0.19 167.0328674 1.35 169.8782501 0.78 170.9727631 0.35 171.9035339 0.50 173.1929626 0.38 175.1816406 0.56 181.8485870 0.14 182.9579315 1.30 184.9400177 100.00 186.0295868 0.55 187.1590424 1.43 189.0946808 1.03 194.4544983 1.08 195.0715332 2.95 198.9645233 0.39 200.2816010 1.47 201.0864105 0.98 201.8782806 1.31 203.2232208 3.65 209.0552216 0.29 211.1780853 0.33 212.3021088 2.58 213.0179749 18.12 213.9601288 9.41 216.0667419 0.47 221.7145538 10.25 222.4980011 3.58 230.2336426 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0712 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 96.67541504 0.66 110.8524475 0.31 120.3843231 0.49 121.0861206 0.60 125.1563568 1.04 129.0360413 0.35 130.069458 0.61 136.8700256 1.79 139.901886 0.60 140.9736786 0.94 145.7853394 0.41 147.322464 0.59 149.1688995 1.08 150.6019135 0.26 160.991684 2.46 163.2724457 0.39 165.1249084 0.98 177.1732178 1.60 178.9478149 0.65 181.0387878 1.94 183.2545624 0.34 186.7913361 0.84 189.0942383 2.99 191.142334 5.27 192.2419128 0.63 193.2996979 0.40 194.0084686 0.55 205.0661163 3.05 207.1130524 6.76 208.0877838 7.53 209.1185913 1.75 215.1364746 0.28 221.114151 1.50 221.9410858 6.86 223.1096344 16.17 223.9513092 3.22 232.9611053 9.95 234.4835663 0.50 235.270752 1.04 236.1959991 0.83 251.078186 100.00 252.1438751 17.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 323.1346 Annotation Methyl di-alpha-L-rhamnoside Peak:m/z Relative Intensity 100.9731140 1.76 103.8106079 0.10 112.9249725 6.79 115.0260086 6.17 116.9772797 0.96 118.9887085 1.71 125.0958405 0.49 130.9591217 0.60 134.8492737 1.35 141.1510620 0.18 142.9834900 3.56 146.9215546 1.24 156.9788513 1.29 161.0364838 17.08 169.1648102 0.14 176.9861298 0.27 179.0101166 5.22 186.9482880 0.84 188.8918304 0.17 198.6295166 0.22 203.2066956 0.29 204.9028320 2.64 207.0201416 100.00 210.8493958 0.26 216.8317566 0.92 223.2679138 0.16 224.9849854 0.05 235.2911377 0.15 236.1526184 0.11 259.0963135 0.10 275.3653870 0.29 277.0930176 66.92 278.6224976 0.22 279.2720947 0.35 281.2913818 0.66 295.4643555 0.08 305.1776123 1.24 306.5377808 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1409.6589 Annotation Lablaboside E Peak:m/z Relative Intensity 442.9745178 0.05 455.5326233 1.33 467.1978455 0.06 485.3455811 0.86 497.2608337 0.06 502.9702454 0.06 503.5947266 0.06 509.4486084 0.31 527.2946777 0.13 561.6428223 0.02 569.3609619 0.10 577.1633911 0.55 577.9088135 0.15 578.6770630 0.07 579.5280762 0.06 583.4785156 0.06 599.6569824 1.03 605.1614990 0.05 617.4630737 5.26 618.5843506 0.31 629.1813965 1.20 630.1519775 0.04 631.5413818 0.05 653.8576660 0.03 659.4405518 0.37 660.7072754 0.15 669.3779297 0.10 713.6026001 0.39 725.3418579 2.60 726.5277100 0.58 743.7042847 0.35 761.4926758 24.23 762.5532837 3.56 765.8141479 0.11 767.4613037 0.29 779.5155029 100.00 780.5047607 13.71 784.4436035 0.07 793.4417725 0.16 795.5739746 0.49 803.5229492 1.32 821.5452271 6.91 822.4002075 1.26 833.5978394 0.31 843.7050781 0.06 861.5170898 0.83 863.5499268 0.25 865.5906372 0.04 887.3496094 0.19 903.7296143 0.03 905.3062744 0.03 921.4589844 0.38 941.1652832 0.07 941.9849854 0.17 956.8916016 0.05 965.5809326 0.36 966.6347656 0.03 983.4499512 7.25 984.5806885 0.97 1025.3021240 1.49 1041.7434080 0.03 1091.5866700 0.11 1103.1997070 0.53 1104.1132810 0.05 1152.6140140 0.35 1246.8066410 0.37 1247.5314940 1.96 1248.5617680 0.37 1265.5123290 57.11 1266.5089110 8.21 1267.1875000 0.06 1289.0200200 0.04 1307.4895020 10.58 1308.5103760 2.12 1347.4377440 4.35 1348.3198240 0.71 1348.9411620 0.11 1391.7292480 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 714.4087 Annotation Unknow Peak:m/z Relative Intensity 241.4505920 0.17 243.2830200 0.20 264.0520630 0.13 265.0667114 0.22 277.4737854 0.12 283.2254639 0.17 296.2493896 0.15 298.0225220 0.05 303.1274719 0.17 309.6372986 0.11 321.3380737 0.15 326.2990723 0.72 327.2469482 0.08 344.4946594 0.78 345.2665100 0.11 350.1495361 0.04 354.3013306 0.06 355.3081970 0.05 363.6055908 0.08 371.1223145 0.04 373.6369019 0.04 376.2437744 0.07 383.0412598 0.06 389.4147949 0.11 393.6422729 0.35 394.3445435 0.38 395.3909302 0.11 401.4015503 0.05 403.1165771 0.13 405.3037109 1.11 406.3780518 0.19 421.2378540 0.76 423.5338745 0.10 428.7125854 0.22 435.2755737 0.04 437.7988281 0.24 441.3342896 1.99 442.3134766 0.54 445.3533325 0.06 449.4703979 0.21 454.8698730 0.07 459.3863525 0.08 468.6040039 0.30 470.2908936 0.30 472.1994629 0.15 477.4407349 0.22 479.5646362 0.16 481.1314697 0.04 493.6354370 0.06 499.1210938 0.05 503.7212524 0.21 504.3945923 1.15 505.2373657 0.32 506.1416016 0.17 509.3945312 0.06 511.8060913 0.29 514.1166992 0.34 516.1933594 0.06 518.4578857 0.07 519.2370605 0.12 520.4173584 5.43 521.3348999 0.55 523.1087646 1.73 525.2148438 0.44 526.0578003 0.09 527.3758545 0.50 528.2951050 0.25 529.2393799 0.10 531.2738647 0.04 532.2344360 0.05 533.4982300 0.42 538.3725586 85.13 539.4704590 15.58 541.6668091 0.99 543.1190796 0.33 545.6210327 0.08 548.0191650 0.12 548.7709961 0.51 554.4536133 0.13 555.4940796 0.10 563.2612305 0.33 567.3468628 0.80 569.4533081 0.26 571.7659302 0.16 578.1405029 0.28 583.0796509 0.14 587.3088989 0.23 591.3450928 1.07 592.3391113 0.12 594.4636230 0.12 599.4624023 0.19 602.3177490 0.32 605.4498291 0.89 607.0551147 0.45 607.7062988 0.22 608.8140259 0.84 610.4954224 0.43 613.2572632 0.19 614.2059326 0.04 615.2744141 0.45 621.4089355 0.87 622.6483154 0.10 625.3417358 0.14 628.1825562 0.17 630.8547974 0.18 634.1233521 0.59 639.2219849 1.55 640.6627808 0.24 643.3699951 0.90 647.9078979 29.62 648.5598755 8.94 650.3075562 0.88 651.4586792 3.86 652.5383301 0.39 653.2065430 1.31 654.7504883 0.11 656.2150269 0.12 657.6789551 0.22 658.5227661 0.25 659.5178833 0.18 664.7994995 0.07 666.3038940 0.53 667.3123779 0.49 669.9276733 0.45 675.3220825 0.24 676.4116211 0.08 677.2441406 0.64 678.1252441 0.35 678.8865356 0.33 679.9319458 2.11 681.2199707 1.85 682.0229492 0.32 683.4198608 0.18 684.6312866 2.09 686.0752563 0.16 687.0106812 0.17 687.7407227 0.16 689.3475952 0.57 690.0564575 1.01 694.5776978 0.13 696.1802368 0.48 697.0880737 0.72 697.8156738 0.28 698.7291870 0.64 699.4046021 0.21 702.7031860 0.53 703.6626587 2.65 704.8358765 1.12 705.7245483 3.34 706.7463989 0.33 707.7203979 0.10 718.0953369 0.42 728.2169189 0.12 729.3435059 0.10 736.8359985 0.36 740.1390991 0.98 744.3884888 0.10 746.0309448 0.12 749.3542480 0.39 752.8334351 0.14 754.5774536 0.23 755.7966309 0.35 756.9513550 0.04 759.1488647 1.10 759.8495483 0.14 760.5625000 0.34 761.4481812 0.06 763.6369019 0.05 772.2470703 0.14 777.4733276 5.34 778.4415894 1.83 779.2429199 0.40 785.8607178 0.10 787.6705322 0.60 791.3227539 0.46 792.6607056 0.12 795.8102417 0.09 802.8227539 0.29 805.9832153 0.51 808.7630005 0.30 819.6571655 0.45 822.1730347 0.27 825.2272949 0.51 826.6411133 0.07 829.0957031 0.89 831.7786255 0.46 833.0978394 0.18 834.5843506 0.09 835.7877808 0.08 836.5020142 0.30 837.6124878 1.41 838.2941895 0.38 841.1335449 0.07 842.2218018 0.06 844.2432861 0.56 844.9084473 0.19 846.3964233 0.52 848.6059570 0.69 851.3648071 0.60 853.4565430 0.13 854.0725708 0.32 855.4775391 0.35 858.4929810 0.20 861.1769409 0.14 861.8808594 0.26 862.7091675 0.31 863.8165894 0.10 864.6215210 0.22 865.8723755 0.28 867.4367065 0.42 870.4846802 0.25 872.5980835 0.46 873.6825562 0.07 874.7116089 0.43 875.4461060 0.90 878.5718384 0.10 879.9108276 1.21 881.6962280 0.09 882.4020386 0.21 884.4918823 0.15 890.5040894 100.00 891.5890503 31.65 893.3200073 0.06 897.5457153 0.16 903.3588867 0.50 904.1824341 0.38 907.1691895 0.17 907.8961792 1.05 909.4822388 0.18 913.3762817 0.13 915.3406372 0.48 920.9975586 0.35 925.7700195 0.16 927.3622437 0.05 935.0213013 0.52 938.5787964 0.25 941.1139526 0.13 942.8110352 0.50 946.1821899 0.10 950.5513306 0.20 953.7844238 0.08 954.4606934 0.15 957.5024414 0.60 958.4634399 0.16 968.8106079 0.35 973.2863770 0.91 974.4312134 0.08 977.6333618 0.29 978.7329712 0.20 980.0353394 0.26 982.1926270 0.43 987.4548340 1.49 988.6580200 1.51 990.4380493 0.57 991.2074585 0.36 1005.3764040 0.55 1007.6960450 0.51 1008.7558590 0.58 1011.3757320 0.12 1014.5701290 0.28 1017.3447880 0.24 1031.5461430 0.15 1043.5670170 0.22 1065.1604000 0.11 1066.3237300 0.07 1073.6180420 0.13 1075.0920410 0.67 1084.0422360 0.20 1084.6635740 0.16 1085.9083250 0.31 1124.6237790 0.51 1137.7182620 0.12 1155.2647710 0.09 1166.8488770 0.16 1211.6660160 0.06 1218.4307860 0.18 1248.9967040 0.13 1264.7569580 0.13 1294.7395020 0.49 1295.6275630 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 588.0604 Annotation Unknow Peak:m/z Relative Intensity 182.0207367 0.17 186.1622314 0.09 201.0765533 0.18 210.8796234 0.08 215.9310913 0.12 218.0851440 0.06 227.9008026 0.10 230.0966187 0.19 234.1509705 0.09 241.9350586 0.06 242.9861450 0.11 243.7486572 0.09 246.2147217 0.24 258.0043335 0.17 259.8198242 0.29 266.2976074 0.04 268.0549927 0.10 275.0021362 0.25 276.0152893 0.09 277.7690125 0.08 287.3969116 0.11 290.1207886 0.28 301.4333496 0.06 302.0366821 0.09 305.2777710 0.62 306.0064392 3.90 310.0769653 0.29 316.6932983 0.25 334.9181519 0.12 335.9672852 0.55 343.6724854 0.04 346.1455078 0.11 347.9395752 0.33 358.7852783 0.15 361.4227905 0.13 362.1403809 0.09 364.0308838 3.80 365.0243530 0.10 366.0614624 1.40 372.1038818 0.26 376.8294678 0.31 377.7882080 0.10 380.2666626 0.04 382.0216064 18.10 389.2050781 0.10 390.1521606 0.65 395.0963135 2.13 395.9951782 1.67 397.9387207 0.60 407.4996338 4.57 408.1149292 8.02 409.2442017 0.09 416.4047852 0.24 425.2175903 5.07 426.0032959 31.47 427.0457764 0.23 438.4635620 0.20 439.3052979 0.11 468.1713867 0.22 497.1632690 0.17 498.0642700 0.14 512.3126831 0.14 542.6298218 0.42 544.0637207 100.00 544.6980591 0.23 552.1255493 0.42 559.3725586 0.04 569.1219482 0.73 570.0685425 3.13 570.8192749 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 543.19 Annotation Unknow Peak:m/z Relative Intensity 185.1078949 0.09 194.9044952 0.07 228.9957581 0.22 242.0009766 0.10 249.2091370 0.22 251.1022034 0.10 270.1109009 0.15 273.9712524 0.03 283.3237305 0.12 283.9585876 0.15 301.4723511 0.19 305.0937805 0.07 306.1592407 0.88 307.2375488 0.46 319.2050171 2.45 321.3765259 0.05 323.1937256 0.56 326.3316650 0.03 333.2510376 0.13 334.1265259 0.10 336.3676758 0.11 337.2933960 0.16 339.1726685 0.71 341.2183228 1.53 342.5657959 0.12 350.1864014 0.08 355.0561523 0.06 355.9732666 0.03 362.9617920 0.14 367.5928345 0.17 371.3961792 0.06 379.0707397 0.11 380.1284180 0.06 381.2364502 0.31 383.1792603 41.95 385.0140991 0.54 392.3834229 0.05 410.4660034 0.13 413.4342651 0.17 423.4058228 0.08 427.3702393 0.22 439.2192383 0.15 446.1859741 0.20 457.6429443 0.04 467.2847900 0.05 468.4737549 0.07 480.2869263 0.10 481.5116577 0.30 482.5366821 0.07 492.4417725 0.04 497.2020874 100.00 497.8466187 0.42 499.1732788 0.70 510.0140991 0.10 513.4345093 2.70 524.2199097 0.34 525.3750610 1.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1431.6372 Annotation Unknow Peak:m/z Relative Intensity 407.5307617 0.02 467.2608643 1.07 471.5357666 0.51 499.3905640 0.26 513.1148682 0.02 525.4965210 0.05 529.5828857 0.04 569.5042725 0.02 579.5078735 0.15 583.3604736 0.04 593.7335205 0.05 597.4637451 0.09 599.6956787 0.16 615.4664307 1.83 621.5404053 0.06 633.4765625 0.50 653.4980469 0.04 657.5187988 0.60 675.5550537 0.34 680.0032959 0.03 685.6099854 0.02 687.6706543 0.05 695.7797852 0.09 697.5922852 0.14 699.6436768 0.10 705.3413086 0.03 713.6213989 0.08 717.2365723 0.06 723.4660645 0.43 724.6942749 0.02 729.6820068 0.09 739.5759277 0.06 741.4345093 3.62 742.3695068 0.29 755.6760864 0.23 759.6038818 0.57 765.5573120 0.06 776.5014648 0.01 777.5200806 0.57 778.3713379 0.04 782.9973145 0.19 783.6688232 0.87 784.6253662 0.05 795.4497070 0.20 801.5080566 0.94 819.5682373 3.12 837.5492554 3.04 838.4335327 0.17 843.5996094 0.74 861.4345703 5.94 862.2405396 0.28 879.4329834 13.34 880.4570312 0.31 903.4128418 6.18 904.4821777 0.08 921.3864746 46.76 922.4946289 0.59 935.6425781 0.04 945.5364990 0.02 963.4045410 100.00 964.4575195 1.56 1005.4335940 0.64 1047.3308110 0.02 1107.2059330 0.22 1166.8122560 0.03 1167.6459960 0.02 1286.5887450 0.09 1287.6922610 0.05 1288.5930180 0.16 1413.3654790 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 500.1689 Annotation Unknow Peak:m/z Relative Intensity 144.0646820 0.17 144.9910278 0.05 161.0216980 5.54 161.9297485 2.33 178.9285126 9.15 179.6756897 0.01 193.0747375 18.05 204.9113464 0.07 215.0716553 0.12 227.0952454 0.16 233.0880737 2.88 245.0428467 0.15 251.1799164 0.13 267.9149780 1.81 272.1925659 0.17 275.2524414 0.11 290.1396790 0.52 291.1514282 0.68 308.0710449 100.00 308.6769409 0.24 370.9980469 2.94 407.3261108 0.05 425.1170044 0.50 482.2932739 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 634.73 Annotation Unknow Peak:m/z Relative Intensity 212.7638550 0.69 214.0290680 0.09 296.8792725 4.57 297.8371582 0.28 298.8605347 3.10 377.8691406 0.27 380.1636353 3.94 380.7700806 10.64 382.0902100 4.80 382.7399902 11.71 383.3450928 0.07 464.5988770 19.60 466.4376831 45.01 467.2816772 0.17 468.8405762 0.38 470.7968140 0.21 471.9606323 0.11 472.9033813 0.96 489.8161011 0.24 497.0334473 0.11 498.7345581 0.11 514.7507324 0.71 526.6813354 0.24 528.1049194 0.42 528.7903442 0.11 548.5397339 15.04 550.4137573 100.00 551.2784424 0.04 557.2926025 0.11 558.5672607 0.26 574.5805664 0.26 587.3203125 0.06 588.9034424 0.30 625.8275757 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1263.6018 Annotation Lablaboside C Peak:m/z Relative Intensity 425.5602722 0.09 455.4754639 0.28 467.1583252 0.75 471.3255615 1.25 549.4127197 0.13 567.3297729 0.14 615.5168457 0.45 633.4935303 6.29 647.8479004 0.17 675.7381592 0.03 776.9718018 0.19 777.6514282 2.64 793.6094971 3.52 795.0497437 20.43 795.6508179 100.00 823.4572754 0.03 835.4826660 0.23 836.4631348 0.35 837.5991211 1.45 864.5086670 0.10 877.6035156 0.40 893.2536621 0.06 939.5490723 0.06 999.5030518 0.14 1032.1533200 0.13 1039.9570310 0.03 1057.6540530 0.03 1060.6093750 0.05 1088.7635500 0.04 1101.7835690 0.13 1119.2790530 0.56 1128.2128910 0.15 1158.6149900 0.24 1174.8449710 0.12 1175.7520750 0.24 1199.7816160 0.17 1218.7702640 0.64 1228.4211430 0.09 1237.4630130 0.29 1245.4646000 0.16 1249.8106690 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 642.2737 Annotation Unknow Peak:m/z Relative Intensity 181.1226196 6.52 182.0512543 1.66 186.3771973 0.14 187.1183777 0.31 191.1251068 3.40 193.0653229 5.45 194.1949921 1.17 195.2118073 0.07 203.3517303 0.15 205.1974030 0.34 209.0987091 100.00 210.0826416 4.55 210.9487457 0.12 217.1207275 0.68 223.1230164 0.25 226.2190857 0.36 227.0891418 0.68 228.6369629 0.23 229.2596130 0.68 231.2981110 0.32 235.1860352 0.45 239.0646973 0.15 247.0338440 0.27 249.3275452 0.14 264.2046509 0.34 265.0939026 0.24 267.2771301 0.10 270.2005005 1.43 271.1524658 0.57 273.0082092 0.23 274.8964844 0.08 276.1525269 0.09 282.1442261 0.74 284.3421021 0.22 287.2275391 0.35 293.2595215 0.07 298.3046875 0.19 301.0747681 0.69 304.3789673 0.15 305.2984009 0.07 309.1875610 0.50 312.1961975 0.42 316.2879028 0.20 316.9494019 0.21 317.8142700 0.08 321.1318970 0.28 323.1833191 0.57 324.1287231 0.32 325.1301575 0.06 326.0536499 0.08 327.0760498 0.30 330.3479614 0.43 335.1234741 0.41 339.3826294 0.41 342.2776489 0.22 343.0833130 0.23 347.1500854 0.10 351.2987061 1.60 353.3671265 0.35 355.2043457 0.21 357.3272095 0.60 362.3511353 0.32 369.0040283 3.60 370.3295288 5.42 370.9417725 42.65 372.1619263 9.79 383.2381592 4.78 384.0641479 0.13 385.2694092 1.58 387.2047729 2.67 391.1202393 0.05 394.1776123 0.41 395.3125610 0.42 397.3732910 0.30 398.0353394 0.90 401.1937866 3.46 403.3157959 2.64 404.9125977 0.18 405.6165161 0.08 406.6088257 0.16 409.3805542 0.17 412.1879883 0.22 415.3949585 0.49 417.7723999 1.14 419.3143921 0.07 421.3466797 0.23 423.8277588 0.34 429.4561157 0.15 431.8861694 0.57 433.3504028 0.34 434.1465454 0.16 438.3588257 0.30 442.1766968 0.12 445.0189819 0.13 450.5557861 0.22 453.2619629 0.23 457.8432617 0.73 463.6334229 0.16 464.4411011 0.19 465.2517090 0.27 468.3776245 0.21 471.1908569 0.23 477.4053955 0.39 478.5659790 0.10 479.8224487 0.87 480.7058716 0.28 483.2462769 0.21 484.6184692 0.16 485.3363037 0.59 486.3937378 1.76 488.4000854 0.35 490.3957520 0.26 491.2521973 0.76 492.3154907 0.28 493.8665161 0.91 495.0426636 0.11 496.6784058 0.48 501.9804077 0.64 505.9628296 0.11 507.4428711 0.26 510.3751831 1.04 511.9241333 0.31 513.1810303 0.14 514.5460815 0.17 521.1476440 0.08 522.3291016 0.65 526.0287476 0.48 529.5281372 0.96 531.7319946 0.56 532.4789429 0.30 538.1303101 1.29 539.6070557 0.39 542.0131226 1.07 542.9126587 0.48 543.6453857 0.07 544.9219971 0.50 546.3570557 0.72 549.0761719 3.19 550.4608154 0.87 553.4728394 0.45 554.3088379 0.64 555.6415405 0.21 558.8868408 0.53 559.5853882 0.42 560.7678223 1.00 562.0108032 0.14 568.9490356 1.76 569.8364258 0.18 570.9012451 0.28 573.0338745 0.31 575.7322388 0.23 576.4265747 0.29 582.1546631 0.91 582.8858643 0.11 584.5016479 1.17 585.3605957 1.19 590.2655640 0.92 590.9940796 0.47 593.3765259 0.17 596.8430786 0.58 599.0742188 0.97 603.6687622 0.48 604.3146362 0.43 606.0638428 0.08 607.1106567 0.56 608.0221558 0.53 608.9275513 0.30 610.4935913 1.59 612.8683472 0.34 614.5014648 0.20 615.7252808 0.24 618.0106812 1.72 618.6719360 0.10 619.4115601 1.20 620.1010742 0.33 622.3092651 1.14 623.2605591 1.65 624.3063965 2.27 625.3894653 0.10 626.3604126 2.18 628.0452271 1.38 629.8207397 1.04 631.0547485 0.47 632.6605225 0.53 633.4539185 1.53 635.0334473 0.32 637.9664917 0.20 649.7546997 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 130.0303497 0.25 131.1470337 0.19 159.0815887 0.13 169.1638184 0.87 170.941452 0.36 173.1568451 0.39 185.2293701 0.70 186.969162 1.29 189.4174652 0.52 190.9102478 0.35 193.2516327 0.13 198.9316101 0.95 201.0722046 2.21 203.4605103 0.56 213.1786194 0.46 215.2355347 2.61 217.2397766 0.73 227.1278076 1.19 229.163208 3.49 231.03479 0.58 241.1207886 1.78 243.2846985 3.10 245.2617798 1.88 251.084198 0.31 253.2984009 0.29 255.5063782 0.36 256.5110474 0.52 257.231781 1.95 259.2062378 0.44 261.669281 0.32 263.3013916 0.52 268.2952271 0.29 269.3358459 1.73 271.2720947 3.48 273.3493042 0.84 277.4683228 0.12 279.2999573 0.21 283.4093323 0.95 285.2776184 3.22 287.3066101 0.36 292.9805298 0.25 294.2236633 0.67 295.2910461 2.91 296.4904175 0.54 297.3746338 2.09 299.4102173 3.42 301.1140137 1.60 305.2833557 0.26 307.1082153 0.78 311.1829834 1.79 313.4005432 2.88 315.4001465 1.05 321.2056274 2.73 323.3126831 8.39 325.3376465 0.82 329.3401794 0.36 339.2578125 100.00 341.2718201 20.78 342.0963135 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 659.4109 Annotation Unknow Peak:m/z Relative Intensity 186.1444550 0.49 186.9083099 0.04 194.8938904 0.09 197.1745453 0.32 199.0726929 0.05 200.9303284 0.06 206.9612274 0.10 209.1369019 0.14 211.2067261 0.09 212.9600525 0.53 214.2101135 0.06 223.4676056 0.03 224.9905853 0.13 231.9630737 0.11 236.3363953 0.11 236.9504089 0.34 239.0985107 0.20 245.1979828 0.06 250.2001495 0.31 254.1346283 1.26 265.1256104 0.17 267.0820312 0.18 268.2257080 3.63 279.2533875 0.60 282.2170105 14.23 284.0404053 0.06 292.2458801 0.05 302.5084229 0.11 308.1506958 0.10 311.6933594 0.39 312.3386841 0.43 315.0883179 0.04 324.9874573 0.27 327.2616577 0.04 336.3699036 0.35 338.2045288 0.59 339.1644897 0.32 351.0789795 0.12 353.2857056 16.91 363.3092041 0.14 367.1919556 5.32 368.4785156 0.11 376.8379517 0.42 377.4415283 0.06 381.2868652 57.13 383.1486206 0.19 388.1120605 0.23 391.0736084 0.27 392.1434326 0.78 394.8020630 0.22 395.4111328 0.12 399.1537476 2.60 402.5093994 0.49 411.2518311 0.46 415.2075195 0.17 427.1626587 0.06 428.2589722 0.07 429.5352783 0.14 435.2732544 2.46 437.2206421 0.25 444.2707520 0.04 445.3995361 0.32 452.3354492 17.51 456.8516235 0.06 459.2392578 0.37 461.4727783 0.22 462.2330933 1.89 463.0961304 0.48 469.2019043 0.22 480.3633423 100.00 488.3048706 0.34 496.4194336 0.10 497.2006226 0.06 500.4729614 0.07 514.2330933 0.52 528.3751221 2.15 538.3084717 0.05 538.9992065 0.04 545.4342651 0.06 555.7510986 0.19 556.3898315 0.13 560.3895874 1.11 568.9351196 0.18 570.3599243 0.14 578.2927246 0.24 579.3375244 0.10 580.3268433 0.20 582.5062256 0.22 592.2094727 0.16 593.4072876 0.34 599.3997192 0.57 622.2643433 0.29 623.7039185 0.64 627.3630371 5.62 628.0117188 0.04 629.6254272 0.11 634.1953125 0.24 641.4538574 1.33 647.2354736 0.76 648.0766602 0.08 648.8772583 0.28 650.3534546 0.52 654.4942627 0.29 659.3879395 0.17 665.5202637 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 781.4359 Annotation Ilekudinoside D Peak:m/z Relative Intensity 233.3508606 0.08 272.2631836 0.03 307.0557861 0.06 307.9731140 0.07 387.3806763 0.23 391.3902588 0.18 393.7762451 0.06 395.0498657 0.10 397.2979126 0.18 409.1056519 0.05 410.8926392 0.18 415.6207275 0.31 423.4365234 0.08 425.4230347 0.15 435.4301758 0.03 441.5599365 0.09 443.2760620 0.50 459.4992065 0.05 467.0553589 0.14 473.4946899 0.05 484.1536255 0.07 485.5844727 0.05 487.4314575 2.25 499.4608765 0.14 521.4355469 0.07 523.5267944 0.08 528.1165161 0.11 536.3120117 0.05 541.2218628 0.08 575.3982544 0.34 580.4120483 0.17 583.2254639 0.47 584.5247192 0.05 585.5220947 0.04 592.4639282 0.84 601.4320679 2.46 604.0319214 0.03 609.4157715 0.12 617.7000122 0.10 619.4723511 100.00 620.5509644 0.31 627.4051514 0.05 637.4591675 1.33 641.6503296 0.04 643.7028198 0.28 661.4448242 0.70 679.4067993 0.06 703.7355957 0.19 715.4832153 0.82 721.5128174 0.07 727.3070068 0.11 733.6322632 0.18 735.1989136 0.41 736.4964600 0.03 737.4951782 0.10 739.6646729 0.23 740.5280762 0.20 747.2816162 0.06 760.2131958 0.22 762.1608887 0.08 763.5530396 13.44 764.5695190 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.07 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 73.06271362 1.41 89.0055542 1.38 95.0763855 8.75 96.04130554 2.69 96.95089722 1.86 100.9521484 1.44 124.9407501 2.17 127.1629181 2.90 136.9311218 6.85 143.1274414 2.48 145.2520599 1.31 146.0341797 4.38 147.1151581 2.47 148.6579285 4.84 150.9807892 2.62 154.9111023 1.93 161.1865692 10.53 163.1204987 7.92 165.0218658 4.96 166.8899384 2.63 174.6416473 0.73 176.0994873 0.82 177.1013336 5.74 179.0005646 10.89 180.6399994 0.76 183.118515 2.03 189.180954 3.45 191.1411438 17.10 191.97258 5.08 194.9543762 2.04 197.0645447 1.72 203.0349579 4.31 205.1159058 18.47 206.3078461 0.96 207.1630402 37.18 208.0536652 3.30 209.0422974 12.83 214.8962555 4.78 217.8970947 2.56 220.9986115 13.26 221.7361908 2.62 223.0690155 25.88 233.003006 54.43 233.9620514 0.95 234.9317474 0.68 251.0704346 100.00 252.1822968 25.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 433.1349 Annotation 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid Peak:m/z Relative Intensity 125.0569153 2.51 126.9479370 0.69 141.9769287 0.14 142.7996521 3.33 151.1404419 0.51 152.7681122 0.15 159.0661011 0.26 161.0224152 4.56 167.1455841 0.16 169.1127625 0.68 172.0211182 0.05 175.1682129 0.08 179.0562744 0.39 193.0881348 1.05 203.0436707 1.26 209.0753784 0.58 210.1002045 0.41 211.1022186 0.12 215.0108490 0.14 219.3550262 0.23 225.0506592 3.52 228.2494202 0.21 242.9941711 0.29 245.3316650 0.08 253.1072998 0.31 253.9441528 0.05 257.0119934 0.15 270.1008606 0.15 271.1602783 7.82 289.1005859 63.91 292.9889221 0.29 300.0767212 0.29 301.5301514 0.37 304.1358643 0.10 309.3789062 0.05 312.8847961 0.05 314.0294189 0.11 318.3244934 0.35 331.1744995 100.00 342.2477417 0.05 345.0952148 0.12 353.1476135 0.13 357.0181580 0.08 365.4342346 0.17 368.9423218 0.03 370.9919434 9.70 371.6217957 0.65 373.3010559 0.34 386.1416321 0.29 387.1695251 1.04 388.2322693 1.39 389.1964417 0.76 391.3555603 0.11 393.9610291 0.31 399.4938354 0.12 401.1795349 0.70 405.2323608 0.25 413.9691467 0.40 415.2495422 1.57 416.3222961 1.47 418.2303162 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 788.4532 Annotation Unknow Peak:m/z Relative Intensity 222.3208923 0.32 229.2070465 0.73 230.1277161 0.06 232.8948364 0.21 235.1735535 1.05 241.1019135 0.10 243.2150574 0.14 244.9332428 0.53 247.1437988 3.76 247.9163818 0.35 250.2603607 0.35 251.3822632 0.09 252.0401001 0.35 253.0269470 0.57 257.0508118 1.54 259.1558533 0.98 260.3409119 0.77 261.1006775 0.36 262.1203003 0.15 262.9832153 0.56 264.0888977 0.26 265.3664246 0.23 268.1722717 0.15 269.1766052 0.11 270.5041809 0.29 273.5178528 0.18 275.2216797 0.48 276.2908020 0.16 278.2727966 0.13 280.2553101 13.32 281.1936035 1.35 282.3671875 0.57 286.5705566 0.83 287.2542114 0.53 288.1171265 0.13 294.2164001 0.34 296.0747375 0.12 298.1680298 16.29 299.2901611 2.32 301.3585815 0.20 302.2102051 0.05 303.1414795 1.70 304.2113037 0.15 310.0205078 0.09 312.2963257 0.47 313.1707764 0.39 314.0382996 0.36 315.0674438 0.10 316.3828735 0.05 317.9031677 0.07 321.2482300 0.10 326.2010803 6.04 327.2880859 0.97 328.7518311 0.26 329.7836914 0.38 330.4093018 0.37 332.1018677 1.73 337.0677490 0.03 340.2597046 0.27 341.4315796 0.24 342.2089844 0.19 344.2520142 92.53 345.2991943 11.11 346.2801514 1.02 347.3793335 0.16 348.2931519 0.26 349.1026611 0.04 358.2387695 3.37 359.5008545 0.31 360.3053589 0.51 367.3430176 0.06 369.6672668 0.14 370.3450928 0.40 372.4138184 1.03 373.5345154 0.10 376.1784668 0.18 377.1160889 0.10 382.1856689 1.80 383.1793823 0.31 387.3887939 0.22 388.3349609 0.08 395.3772583 0.13 396.4502563 0.06 399.3145752 1.00 400.2939453 4.76 401.2960815 0.36 404.3950806 0.16 407.5675049 0.12 409.2124634 0.24 410.1455078 0.08 415.3775024 0.41 417.2789917 30.93 418.3444824 7.97 427.2855225 14.94 428.2974854 3.09 429.2629395 0.11 429.9910889 0.15 431.4039307 0.17 433.5060425 0.08 439.3088379 0.09 441.3573608 0.32 445.2189331 100.00 446.2719116 21.67 447.0217285 0.25 451.5553589 0.06 459.2314453 0.38 460.1690063 0.15 473.3806152 1.17 474.2987061 0.62 477.0621948 0.07 480.5755005 0.04 483.3783569 0.04 484.1848755 0.10 491.2832642 27.18 492.3671265 8.69 496.3828735 0.29 497.5916138 0.27 506.2656250 0.12 509.1651001 0.11 512.6451416 0.13 514.3271484 0.57 515.2636108 0.07 524.3402100 3.76 525.4342651 1.40 528.1498413 0.06 529.3272095 0.19 534.8641968 0.12 538.1884155 0.04 539.2623901 0.32 542.3701172 9.29 543.4104004 1.92 544.6743164 0.15 546.5828857 0.22 554.3699341 0.05 558.5159302 0.17 560.3364868 0.09 564.1767578 0.21 565.6044312 0.05 568.4060669 0.11 569.8997192 0.07 572.3318481 0.44 573.5479126 0.07 581.4387817 0.30 582.6378784 0.06 583.6349487 0.14 586.3937988 1.88 587.0776367 0.27 587.8400879 0.14 590.2235718 0.34 591.3329468 0.20 594.8009644 0.08 598.2012329 0.25 599.1097412 0.25 600.5641479 0.08 604.2568359 3.08 605.2839355 0.46 607.7162476 1.25 608.5581055 0.61 609.1703491 0.13 613.4302368 0.05 615.0988159 0.49 616.4171753 0.27 618.5536499 0.20 625.3822632 4.90 626.2383423 1.12 629.4534302 0.06 632.7800903 0.10 634.3602905 0.24 641.1739502 0.07 643.3618774 16.18 644.4515991 4.81 651.3760376 0.07 671.3902588 0.05 673.6828003 0.16 674.6967773 0.05 684.5134277 0.06 691.4070435 0.30 694.5661011 0.20 695.3550415 0.05 701.2837524 1.59 702.3895264 1.22 703.2299194 0.05 704.4319458 0.32 706.4113770 0.04 711.3949585 0.07 712.5767212 0.40 713.7175903 0.03 720.5327148 1.01 721.3777466 0.64 726.3477173 0.22 728.5861206 0.43 729.3733521 0.51 730.1438599 0.08 735.3749390 0.18 736.5354614 0.32 738.4053955 4.53 739.3843994 2.18 742.2456055 0.15 744.4202271 0.09 750.5999146 0.20 752.4514771 1.59 753.5169678 0.50 756.3792114 9.38 757.5335693 2.31 758.2218628 0.16 759.4615479 0.02 763.3366089 0.33 770.4504395 26.94 771.4401855 8.28 777.6522827 0.17 780.7573853 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 314.1049 Annotation Amoxapine Peak:m/z Relative Intensity 105.0297089 0.02 114.1592865 0.01 120.1300735 0.02 131.0832825 0.03 132.9628601 0.11 136.1447754 0.01 137.0715027 0.01 157.0292053 0.01 160.0257263 0.99 161.0496826 3.64 167.6249695 0.01 169.1958008 0.01 170.3118744 0.01 181.2104492 0.01 184.9063721 0.03 193.0558472 100.00 193.8925476 0.02 225.0578003 0.65 227.0672302 2.62 232.9491882 0.00 267.9893799 0.04 271.4793091 0.01 295.0992432 0.01 296.2631226 0.13 296.9846802 0.03 313.1689453 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 244.24 Annotation N5-Hexanoylspermidine Peak:m/z Relative Intensity 71.9813080 2.10 83.9606934 0.01 87.9368439 0.05 106.6228943 0.04 112.1332550 0.08 115.9851837 0.02 116.9609070 0.07 118.1158600 0.02 122.7728729 0.07 126.7053986 0.02 127.9613953 0.04 129.0624695 0.02 136.0302582 0.04 138.0949097 0.04 140.1746674 0.05 143.2070160 0.03 152.2812653 0.06 156.1237183 29.96 157.1692963 0.06 162.9153900 0.02 168.1283722 0.06 169.3508148 0.03 170.3938599 0.24 171.8748779 0.02 173.0655518 40.52 174.9023285 0.07 176.9797974 0.09 183.0308685 0.02 184.0008087 0.02 185.9834595 0.14 187.2382660 0.04 188.2198334 0.03 189.2529449 0.08 196.0978241 0.04 196.9219818 0.02 198.2193604 0.40 199.0601349 0.02 199.8832703 0.03 203.0405273 0.10 208.2282715 0.14 209.1669159 0.05 210.2733002 0.06 211.7114105 0.08 214.9727173 0.18 215.9860382 0.31 217.2601166 0.33 221.0146637 0.04 223.5522461 0.05 226.2613525 3.45 227.1420288 100.00 228.1060944 0.30 229.1851349 0.06 230.2553558 0.03 232.6210785 0.11 233.7632599 0.06 234.6949463 0.56 235.4608154 0.16 236.2344513 0.02 238.7052155 0.03 243.6383209 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 365.1451 Annotation Unknow Peak:m/z Relative Intensity 110.9999390 0.42 112.9673767 8.08 114.9297943 11.34 118.8310471 0.27 125.2112579 0.09 127.0774536 0.10 129.0125885 0.52 130.8647156 0.25 138.8822174 0.08 143.4780579 0.09 147.1844482 0.08 149.0779724 0.07 157.0637512 0.20 161.1399536 0.07 169.1362915 0.27 173.5467224 0.12 175.0509949 2.53 178.9064636 1.18 185.0743103 0.75 187.2424927 0.08 188.8846283 0.15 191.2243958 0.03 205.1613312 2.67 223.2065735 0.17 231.1178589 9.52 235.1802368 0.08 245.2012024 0.25 249.1666870 100.00 263.2667847 0.26 267.1495361 28.48 273.2465210 0.13 288.9267273 0.22 305.2024231 3.32 318.8941956 0.43 320.9575500 0.05 323.2670898 0.58 329.1095276 1.58 333.3507996 0.05 347.2316589 20.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 750.1119 Annotation Unknow Peak:m/z Relative Intensity 217.1259155 0.08 226.8578949 0.25 229.2907257 0.10 242.9171753 0.10 244.2970886 0.23 245.0060577 0.94 246.8998413 0.20 252.5273285 0.10 257.0078125 0.14 258.9813232 0.32 267.9532471 0.03 274.9221497 0.32 277.0479736 2.18 289.1419678 0.61 290.2195740 0.08 292.9140930 0.06 294.8891907 0.42 303.0531311 0.37 305.0338745 0.24 305.8612061 0.16 306.9806519 2.98 318.8556519 0.46 320.8912354 0.43 330.8920898 0.40 334.9943237 0.19 336.8660889 1.81 346.9965820 0.19 348.2651062 0.39 349.0534058 0.92 350.3973999 0.11 354.7291870 0.15 360.8301086 0.03 362.1565247 0.19 364.0756836 0.35 365.0924683 1.45 366.9752197 2.67 373.0884399 1.15 378.9077148 0.77 382.0281372 0.15 391.0466919 2.69 396.9262085 7.94 397.9028931 0.05 407.1909180 0.33 408.0737915 1.05 409.0328369 32.88 415.0523682 0.88 427.0620117 18.63 438.1224365 0.32 439.0240479 0.22 450.9519653 0.25 456.7536011 0.27 465.2026367 0.10 468.6690063 0.37 485.3305054 0.17 487.1724243 0.41 499.0863037 0.32 511.2190552 0.26 515.7109985 0.13 517.0284424 0.88 524.1486206 0.33 526.0151367 0.13 528.1296997 0.12 528.9061279 2.21 543.9069214 1.08 553.0850220 0.65 558.9750366 0.88 568.7985840 0.22 570.8900757 38.01 571.5271606 0.86 577.0541992 0.58 579.8491211 0.24 583.1005249 0.06 585.3687134 0.21 586.5213623 0.50 588.9586182 100.00 589.6918335 0.35 604.2216797 0.22 630.2861938 0.42 631.0794678 0.27 643.2435913 0.50 661.0963135 0.53 670.2733765 0.19 691.1099243 1.44 705.8854370 0.21 706.9151001 0.13 733.1128540 2.90 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 947.041 Annotation Unknow Peak:m/z Relative Intensity 308.1599121 0.63 309.4499207 0.77 325.3933411 1.65 329.1184387 1.17 330.2844849 0.45 337.0612183 0.24 346.5084534 0.69 354.1947937 0.71 355.1505432 1.21 357.5573730 1.96 358.1939697 1.89 369.2153931 0.60 373.3725586 1.29 374.2831116 0.15 415.3207397 0.09 416.9965210 3.34 418.2670288 0.63 419.5256348 3.03 422.3231812 0.25 426.4868774 0.23 427.1303101 0.09 451.3035889 0.34 462.4076538 0.51 464.7270508 0.47 468.3025513 0.43 480.4281616 4.00 481.4307251 0.37 486.0969849 2.38 486.9911499 0.44 488.5011597 1.59 492.7182617 0.76 495.0935669 1.73 504.3969727 1.18 512.8228149 0.87 516.4237671 1.29 518.3629150 0.68 520.2783813 0.90 521.3056641 0.36 524.2604980 1.18 530.5053101 0.12 532.9458008 0.42 534.2350464 1.02 538.0531616 3.25 538.8217773 0.52 539.5505981 0.91 549.3153687 0.20 550.8500366 2.95 551.9514771 1.17 552.9019775 0.89 558.6730957 1.13 560.3011475 5.03 566.5940552 0.54 568.6704102 3.67 569.4531250 0.12 570.2985229 1.10 576.8615723 1.30 579.9513550 0.29 580.5659790 1.90 581.8056030 0.39 583.5941772 0.16 587.6093140 2.24 589.6251221 1.69 593.4678345 0.42 595.4724121 0.86 597.5289917 2.94 598.3057251 0.96 603.3590698 1.83 606.3703003 0.35 609.5798950 1.70 610.9788208 1.29 612.5907593 0.69 615.1203003 0.63 617.3715820 2.37 621.6209717 1.27 624.0339355 1.05 640.3719482 1.17 644.6139526 0.43 646.5995483 1.09 647.8966675 2.17 648.7943726 0.22 651.9986572 1.66 655.0812378 17.72 656.2365112 0.52 658.4495239 3.38 659.1506958 0.36 662.0048218 0.42 666.6024170 0.27 670.4092407 1.73 672.5134888 2.11 674.5028076 1.08 679.6043701 1.53 680.4757080 3.45 682.2827759 1.63 693.8873901 1.80 694.5449219 2.43 700.8705444 0.90 702.3235474 3.49 703.6260376 0.33 704.3335571 0.25 705.3662720 0.33 708.2551880 1.04 709.6797485 1.94 712.7450562 7.55 718.4063721 0.11 719.7916260 1.36 723.2388306 0.80 724.6658325 1.74 728.3706665 0.88 731.6419678 1.27 732.3838501 0.90 733.0028687 1.01 733.7875977 1.13 736.7125854 0.45 737.3363647 0.21 741.1726685 0.72 742.6004028 0.27 746.0140991 1.50 746.6876831 1.63 752.9587402 0.66 759.3897705 0.25 760.5508423 0.52 767.4714355 3.34 768.2658081 2.80 769.5025635 0.35 770.2423706 0.99 771.9277954 0.68 772.6276855 0.43 774.3923950 0.65 777.2141113 2.57 778.8054199 2.75 779.5975342 0.98 780.6611938 0.85 781.7897339 2.06 783.1445312 1.66 788.3482056 1.51 789.0802612 4.65 789.8241577 1.67 793.9030762 1.34 794.7396851 1.66 795.3484497 0.27 796.0618896 1.03 799.6310425 0.36 802.9313354 13.11 803.7777710 2.39 804.8832397 0.31 807.7265015 0.78 811.2040405 1.14 815.5036621 0.67 823.3865356 2.38 824.4797974 0.13 827.0809937 0.13 830.6380615 0.10 833.5684814 0.34 834.4442749 1.68 835.7177124 0.49 837.2463989 1.38 838.1460571 0.54 839.7507935 0.31 841.4385986 1.01 843.0173950 0.78 844.4318237 0.16 848.3605347 0.71 851.2171021 0.99 852.2708130 0.49 853.0244751 1.44 854.3217773 6.11 858.4979858 1.98 859.4772339 0.70 860.7881470 0.95 861.4916382 0.94 864.5409546 1.44 867.0422974 8.38 872.7133789 5.65 873.9108276 8.60 874.8009644 1.87 875.9187012 0.66 877.8218384 0.33 879.9989624 5.53 880.9998169 1.18 883.6201172 6.19 884.4736938 0.21 886.6325684 4.81 890.4263306 0.33 891.3198853 2.52 892.7812500 0.94 893.5269165 1.43 897.0499268 8.18 900.6373901 100.00 901.8844604 22.24 902.8236084 3.30 903.7166138 0.47 906.1679688 67.18 906.8969727 2.31 907.7221069 2.17 908.5444946 1.04 909.5222778 0.71 910.7192993 1.24 911.4091187 0.77 912.6340332 0.37 918.7039185 3.10 919.6054688 2.49 921.1130981 2.69 925.3267212 20.31 926.0945435 6.45 927.0388184 2.15 927.8911743 1.16 928.9874268 3.35 930.0485229 0.30 930.9799194 0.55 932.4190063 75.90 933.4633179 1.59 934.4826050 2.64 935.5276489 1.04 936.4101562 3.48 937.5519409 1.27 940.2909546 0.57 948.4483032 0.23 949.6494141 1.26 950.5674438 0.49 959.0690918 1.23 965.8649902 8.36 966.6187134 0.94 969.0424805 3.15 969.7973633 0.63 972.5643921 0.21 974.3932495 0.86 975.5397949 7.12 986.8884277 12.46 987.5664673 9.62 988.3451538 4.69 989.5000000 0.52 992.3225708 3.20 996.8317871 0.89 998.6419067 1.06 999.9587402 0.84 1000.6745000 0.65 1007.5243530 0.31 1008.2080080 0.84 1010.7426150 1.58 1011.6186520 3.24 1012.6689450 1.37 1013.3424680 1.05 1015.2510380 0.40 1016.5827030 0.67 1017.5741580 0.68 1018.8223270 8.32 1019.7335820 1.01 1021.1574710 0.26 1022.2570190 1.68 1022.9967650 0.66 1023.7253420 1.27 1025.3789060 0.68 1027.4274900 1.15 1028.6669920 1.09 1030.1087650 0.28 1030.8359380 0.25 1032.3260500 1.31 1035.5906980 7.65 1036.5843510 3.87 1038.2126460 3.15 1041.6309810 2.76 1042.3389890 1.46 1043.7174070 40.74 1044.4802250 27.19 1045.6408690 5.69 1046.6555180 2.50 1047.6499020 2.06 1048.6107180 1.18 1049.7864990 0.75 1051.8045650 5.37 1052.5156250 0.45 1053.5506590 1.22 1054.9571530 0.43 1062.0856930 1.85 1062.6936040 4.21 1063.3312990 0.48 1064.3251950 0.17 1067.0028080 4.53 1067.9760740 7.77 1068.6569820 2.45 1072.8706050 2.52 1073.6232910 0.25 1074.9156490 1.25 1075.6862790 0.97 1076.4899900 0.92 1077.6925050 2.05 1079.9824220 76.27 1080.9594730 4.78 1081.7653810 1.32 1082.5623780 0.91 1086.5021970 0.90 1087.1708980 1.73 1087.8935550 3.49 1090.8509520 1.68 1094.5570070 6.70 1095.3916020 0.55 1096.2880860 0.21 1097.5979000 0.18 1098.4206540 0.98 1099.7778320 1.53 1100.7570800 0.30 1101.8867190 1.51 1102.5627440 0.70 1103.6800540 3.11 1104.6892090 6.74 1105.4987790 0.63 1107.8562010 2.49 1110.7069090 8.08 1111.4907230 0.29 1112.2498780 0.48 1113.8247070 0.71 1116.1582030 6.55 1116.7963870 5.52 1118.6452640 15.91 1119.5659180 9.34 1121.2049560 4.17 1122.4619140 4.00 1126.2403560 1.10 1128.2320560 0.56 1128.8757320 0.62 1132.4530030 9.36 1133.1942140 3.21 1134.5751950 1.37 1136.4895020 0.74 1137.6093750 0.32 1139.0036620 0.24 1141.0622560 2.46 1142.3427730 29.51 1143.0847170 12.17 1144.1621090 2.03 1147.3591310 2.17 1148.0076900 0.48 1148.8945310 0.59 1150.5930180 0.31 1153.5701900 6.61 1154.2580570 0.14 1155.2180180 0.42 1156.4530030 0.52 1161.7888180 1.17 1162.8874510 0.54 1164.5937500 0.97 1171.8814700 2.13 1173.1411130 2.28 1174.5534670 0.87 1176.9693600 4.76 1178.0989990 1.15 1180.5961910 14.75 1181.3562010 5.48 1182.0502930 0.98 1185.8461910 0.27 1186.5994870 5.79 1189.8928220 1.63 1191.8629150 0.54 1193.4965820 2.06 1194.9494630 1.20 1195.6951900 0.26 1199.3634030 0.40 1200.9855960 2.14 1202.5987550 1.86 1204.4647220 0.92 1205.7662350 0.36 1208.2469480 2.22 1213.6088870 0.25 1217.4096680 0.16 1221.5454100 0.25 1223.0946040 0.66 1225.4592290 0.71 1229.6217040 0.52 1231.0766600 1.22 1233.3068850 5.13 1233.9624020 5.86 1236.4145510 3.94 1237.1530760 0.30 1237.9560550 2.04 1241.6596680 0.43 1242.2844240 0.72 1243.4179690 1.07 1245.8872070 13.07 1246.6834720 1.45 1249.6013180 0.36 1251.3007810 2.91 1252.5479740 1.20 1253.7646480 0.80 1255.8789060 2.10 1257.8621830 1.90 1260.1866460 1.03 1262.0734860 0.92 1266.4989010 8.63 1267.3541260 1.55 1270.8156740 0.98 1272.9656980 0.70 1277.7485350 0.93 1278.5738530 0.38 1279.9208980 0.83 1280.7503660 10.45 1281.8187260 3.14 1283.6253660 0.28 1286.7044680 0.67 1288.0616460 1.46 1289.8992920 0.83 1307.3524170 2.24 1308.3067630 0.40 1309.1290280 0.82 1309.8383790 0.65 1316.3223880 3.04 1335.0958250 2.17 1339.0965580 0.14 1343.4067380 0.36 1345.2757570 4.98 1346.0777590 5.34 1346.9189450 2.39 1348.2517090 0.50 1356.8908690 11.11 1357.7830810 8.59 1358.6020510 0.45 1366.2950440 1.03 1368.6854250 0.37 1372.4083250 0.57 1373.5897220 0.81 1378.0581050 0.41 1380.6234130 3.07 1382.0024410 3.48 1386.9149170 0.63 1388.7415770 0.76 1392.2645260 0.73 1397.3463130 0.52 1403.6787110 0.42 1404.7694090 0.31 1408.7694090 3.85 1409.8095700 0.50 1417.9498290 0.38 1422.8819580 1.98 1425.0137940 1.54 1427.5667720 0.28 1437.0628660 0.25 1445.2792970 0.74 1445.8959960 1.38 1451.5325930 0.49 1452.5957030 0.68 1454.9270020 0.23 1456.9583740 0.16 1457.8374020 1.07 1459.0953370 0.74 1461.8143310 2.45 1462.8444820 1.56 1464.5440670 1.16 1465.5373540 1.45 1469.8043210 1.59 1475.5574950 0.59 1477.2628170 0.40 1481.1492920 0.39 1481.8770750 0.11 1487.2059330 0.23 1502.2886960 0.80 1512.7888180 1.10 1517.2073970 1.47 1518.1275630 0.39 1518.8137210 0.60 1520.0299070 0.66 1521.7313230 0.73 1532.9084470 0.76 1552.4465330 0.15 1554.1153560 0.57 1555.3966060 0.51 1556.8328860 1.01 1557.9930420 1.65 1558.9600830 0.28 1559.6193850 0.22 1565.1054690 4.97 1566.0389400 1.17 1567.6567380 0.26 1568.9262700 0.55 1575.9472660 0.49 1581.8529050 0.12 1585.9383540 0.49 1588.8902590 1.50 1591.9161380 0.84 1592.9782710 1.37 1600.3741460 1.02 1601.4830320 1.60 1603.7926030 0.72 1604.9809570 0.15 1608.9332280 0.39 1614.5814210 0.16 1618.3919680 1.52 1628.2969970 0.77 1641.3078610 0.39 1648.1223140 0.43 1651.5418700 0.21 1656.6317140 0.60 1664.8709720 1.21 1665.8328860 0.43 1666.7209470 0.46 1686.6726070 1.20 1696.6680910 0.67 1705.3489990 0.98 1707.3172610 0.25 1721.2113040 0.18 1740.2141110 0.26 1765.0329590 0.68 1769.0267330 0.38 1778.1524660 0.78 1815.9758300 0.14 1820.4045410 0.58 1821.4068600 1.92 1822.0186770 0.39 1826.3347170 0.42 1829.9305420 1.22 1870.0860600 0.31 1887.8785400 0.55 1889.3970950 0.36 1902.1737060 0.26 1938.8155520 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 648.8121 Annotation Unknow Peak:m/z Relative Intensity 187.9876099 0.46 199.1173401 0.10 201.0835876 0.95 213.1281891 0.07 214.9665527 0.79 217.5109711 0.06 227.9210510 0.14 230.2819824 0.23 230.9505615 0.11 231.9299011 0.25 233.0980377 3.64 241.0522766 0.17 251.2947083 0.44 260.1278076 0.16 281.2887878 0.16 284.2919312 0.25 286.3401794 0.51 298.3109131 0.24 304.0495605 0.21 306.1286926 0.14 308.3190308 0.05 308.9349365 0.13 310.0588379 0.06 314.5761719 0.41 316.2459106 0.73 321.3886108 0.32 326.1926880 0.45 330.4999390 0.09 336.2879028 0.10 343.3047485 0.82 351.2897949 0.12 354.1361084 0.42 356.3406372 0.50 357.2954712 0.16 360.6619873 0.10 361.2802734 1.34 370.3810425 0.09 379.4166260 0.17 385.2880859 0.36 389.1429443 0.10 391.2742310 0.10 395.0925293 0.43 398.2039795 0.24 399.2131348 0.14 401.3397217 0.31 407.2580566 0.22 415.1007690 0.51 420.0886230 0.29 424.4495239 0.29 426.3258057 0.12 428.1414795 0.22 430.1750488 1.29 432.6491089 0.16 434.2711792 0.31 436.3867188 0.09 442.3150635 0.34 452.4240112 0.38 455.4464111 0.44 466.9031982 0.16 468.0134888 0.42 473.5524902 1.85 477.0928955 0.75 478.3569336 0.25 481.2467651 0.67 482.2962646 2.39 482.9089966 0.61 484.8461304 2.19 486.1237183 2.06 487.1472778 0.19 488.8356934 0.76 498.2302246 0.32 500.9019165 0.27 501.8799438 1.03 502.5507812 0.98 504.9595337 0.55 506.5255737 0.48 509.7523804 0.32 511.5786743 0.51 512.2851562 0.29 515.5308228 0.44 516.8198242 5.87 518.4552612 0.86 519.1089478 0.67 520.5500488 0.30 522.3146973 0.59 523.8975830 7.34 524.7979126 0.29 525.9105835 2.12 526.8988647 0.31 529.0932617 0.56 530.4626465 0.36 531.2305908 0.24 532.8305054 5.78 534.3425903 0.34 535.6610718 0.11 538.1729736 0.75 539.9285278 2.00 541.5695190 0.08 544.7216797 0.31 545.4805298 1.00 548.7278442 4.53 549.5958252 1.04 550.2816772 0.34 552.1704712 0.18 553.1456299 0.23 553.8514404 0.73 555.7086792 0.14 559.3038940 2.26 559.9856567 0.28 560.9010620 0.36 563.4652710 1.56 564.5283203 2.37 565.5225220 0.78 566.4893799 0.57 568.3999634 29.37 569.5917969 0.71 570.5320435 0.20 571.1655884 0.52 571.7760620 0.48 573.3803101 44.71 574.2802124 2.23 575.4560547 2.13 576.3438110 0.85 577.2988892 0.34 578.6085205 0.05 579.6798096 0.60 582.3323975 87.00 583.5092163 0.47 584.6437988 0.62 586.7259521 0.11 587.6109009 0.06 589.0487061 0.20 590.6513062 0.76 593.0554199 0.32 595.5631714 1.64 596.2218018 0.13 598.3451538 0.88 599.5101929 0.27 600.4324951 0.29 601.7707520 0.07 602.5721436 1.04 603.9145508 0.78 609.7031860 1.06 610.6311035 0.61 611.8552246 1.83 613.1970825 0.25 614.6266479 2.22 616.3786011 0.14 618.4130249 3.16 619.4525146 0.69 620.2252197 0.36 623.8493042 3.56 624.5001221 0.32 625.6726685 0.82 626.9381714 0.60 628.9227905 0.33 630.6445923 1.75 631.4039917 1.95 632.8707275 6.60 634.3678589 0.49 634.9981079 0.62 636.3067017 3.93 637.1930542 0.43 638.2326050 0.62 639.9076538 67.16 640.5437622 6.44 641.7112427 1.32 646.2521362 0.45 649.8328247 0.46 658.3402710 0.55 659.6376343 0.35 660.4913330 0.07 663.2144165 0.51 664.4927368 1.00 667.6637573 0.28 671.1283569 0.13 673.0906372 0.08 674.7152710 0.24 675.6072388 0.47 677.3757935 0.11 678.3958740 0.18 680.7296143 0.91 683.8679810 0.13 686.7316284 0.52 688.0138550 0.63 695.9801636 0.51 696.8665771 0.84 700.9616089 0.15 702.3891602 1.13 703.4119873 0.28 704.3776245 0.09 708.6564941 0.09 712.8634033 0.12 714.4290161 0.24 717.5975952 0.41 719.4638672 0.10 721.5018921 0.18 724.1893311 0.73 725.6715698 0.99 726.7400513 0.44 727.3885498 0.20 728.4661255 0.36 732.4723511 0.20 735.0498047 0.73 739.2587280 0.27 741.3663940 0.34 745.5227661 0.22 748.5265503 0.40 749.6425171 1.20 752.4135132 1.51 753.1437378 0.33 755.7565308 0.49 756.6599731 0.07 757.6597900 1.34 760.6117554 0.58 761.2679443 0.41 762.3268433 1.42 763.0385132 1.13 763.7017212 0.16 766.5159912 0.20 767.5414429 0.44 773.5101929 3.30 777.7872314 0.16 782.4412231 0.66 788.3617554 0.23 791.4682617 1.10 792.8018188 0.98 795.5070801 2.76 798.7073975 0.21 802.2886353 0.27 803.4930420 0.78 805.0684814 0.09 806.4614868 0.50 807.5482178 0.07 808.4878540 0.18 810.5733643 1.44 815.2814331 0.48 818.4651489 0.91 819.6162109 3.13 820.6351318 1.06 822.2493286 0.67 824.8109741 0.68 825.7391968 0.64 826.4081421 0.50 834.4950562 1.75 838.6183472 0.29 842.9414673 0.07 844.5826416 0.33 847.5092163 0.14 848.4823608 1.09 854.2177124 0.52 861.4150391 0.61 862.5878906 0.35 863.3940430 0.23 864.6462402 0.75 870.6960449 0.24 871.3322754 0.36 876.6889038 0.62 878.3917847 0.12 880.5542603 0.23 881.1604004 0.49 881.7809448 0.24 884.1737671 0.30 885.2334595 0.61 886.2387695 0.12 888.5553589 0.49 889.7617188 0.29 890.4257202 0.28 891.4507446 1.66 892.1213989 0.39 893.5809937 0.08 894.9529419 0.67 897.8557129 0.36 898.6425171 0.46 899.5891113 0.09 904.9898071 0.30 906.8388672 0.24 908.3708496 0.62 909.7256470 0.17 912.1650391 0.43 912.7873535 0.12 914.1682739 0.34 915.6074829 0.19 917.4309082 0.14 918.4170532 0.24 920.0021973 0.50 926.9926758 0.42 928.2651367 0.78 930.3519897 0.16 932.2138062 0.21 933.5304565 0.97 936.5813599 8.55 937.7343750 0.34 939.9288940 0.07 950.3671265 0.29 951.4460449 0.43 958.3637085 0.32 959.8235474 0.37 963.6210938 2.63 975.3352051 0.40 977.6225586 0.36 978.8829956 0.13 981.6958008 2.23 982.9335327 0.33 990.3914185 0.11 991.6975708 0.29 993.5334473 5.04 1000.4378050 0.12 1003.9357300 0.18 1004.6811520 1.06 1028.3347170 0.29 1032.5764160 2.66 1034.6948240 0.45 1036.4650880 0.29 1037.8011470 0.35 1046.6240230 21.02 1047.8066410 0.22 1050.5930180 4.86 1053.0378420 0.28 1064.5428470 53.83 1065.5737300 1.39 1068.5228270 0.11 1074.1945800 0.24 1076.7352290 0.35 1078.1546630 0.22 1078.7666020 0.26 1080.0483400 0.09 1081.9793700 0.29 1096.6849370 5.53 1101.6774900 0.18 1104.7193600 0.36 1118.1586910 0.40 1129.1779790 0.22 1135.7901610 0.78 1138.5255130 0.43 1140.9021000 0.08 1145.4670410 0.51 1148.6933590 0.07 1151.4468990 0.07 1163.5930180 100.00 1164.6417240 4.46 1182.6889650 0.21 1203.5142820 0.16 1211.7354740 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 274.96 Annotation Unknow Peak:m/z Relative Intensity 114.9850845 5.70 115.9327850 1.99 116.8884125 2.63 130.9620819 0.53 131.8486023 0.43 132.9659119 0.03 158.9466400 100.00 159.9357758 37.08 160.8901367 75.05 161.7069092 0.12 199.0743103 0.26 200.1402893 0.87 201.0265503 2.50 203.1195984 0.19 218.0449829 0.53 219.0882263 1.64 220.0564575 0.08 229.3043823 1.98 229.9795532 12.01 230.9034729 36.89 231.5069580 0.09 246.0111389 0.03 246.9606323 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 516.165 Annotation Unknow Peak:m/z Relative Intensity 144.8742218 0.03 159.8668976 0.37 167.0570679 0.25 169.0777588 0.03 170.9353333 0.04 177.0343323 0.22 179.0626221 1.09 185.0943451 0.24 192.1101990 0.17 196.8664398 0.03 210.1143799 1.08 213.0433807 0.17 230.9963684 0.05 235.9992981 0.06 237.2254944 0.05 239.0440979 0.07 249.1256866 0.13 254.0617523 4.24 254.9525146 0.20 272.2036133 5.68 288.1293335 4.48 306.0825195 100.00 307.2987671 0.38 308.2004395 0.54 312.1087646 0.06 358.5472412 0.05 369.1115112 0.03 387.3677979 0.08 395.0789185 0.07 408.3524170 0.06 410.3252563 0.06 415.2554321 0.03 423.4270630 0.14 435.2968750 0.15 436.2061768 0.28 439.2341919 0.07 451.9365845 0.12 453.5189209 0.04 465.4597168 0.21 466.5134277 0.05 470.2017212 0.13 471.4924927 0.07 472.4767456 0.12 479.8427124 0.08 483.2952881 0.25 485.1865845 0.02 497.1549072 0.66 498.3897095 3.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 437.2024 Annotation Ebracteatoside D Peak:m/z Relative Intensity 126.7764282 0.08 138.6173706 0.42 141.1224060 0.23 161.9948578 0.09 168.1660004 0.05 178.9877319 0.16 204.9559937 0.06 210.1193085 0.08 221.0966492 0.12 223.3086243 0.06 253.1710815 0.28 256.2429199 0.07 267.0779724 0.16 271.0932617 0.47 272.1480713 0.46 287.1109924 0.13 290.2939453 0.10 299.3529663 0.06 304.2204590 0.12 305.1996460 0.18 314.4208984 0.11 327.3706665 0.08 330.2584534 0.08 331.5431213 0.20 333.1263733 0.08 334.0976257 0.11 345.1993713 100.00 346.7181091 0.29 350.3600159 0.17 363.3763123 0.15 375.3905640 0.11 377.2168884 0.13 382.0477295 0.14 389.3228760 0.31 390.7060852 4.34 391.3558960 8.29 402.1601257 0.30 403.3411560 0.20 407.0357971 0.28 409.4808960 0.08 418.6187439 0.24 419.2608032 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1010.5129 Annotation Unknow Peak:m/z Relative Intensity 298.2419739 0.81 300.0718384 0.34 308.0884094 0.05 312.2854004 0.13 315.0870972 0.33 320.4205322 0.16 323.3320007 0.33 324.1606140 0.25 325.1969910 0.57 326.4003296 0.14 338.0249939 0.21 341.1532288 0.13 343.0769348 0.30 351.2799072 0.30 356.1441040 0.14 363.4033508 0.09 364.8826294 0.02 367.5794067 0.32 368.2837219 0.21 369.2353516 4.53 370.9410400 0.13 377.1212158 0.11 378.3360596 0.07 382.4837646 0.35 383.3849487 0.22 386.2175598 0.30 387.2829285 0.06 394.4221802 0.10 395.8311768 0.33 396.4613037 0.49 397.4722290 0.22 408.3624878 0.05 409.2227173 1.48 410.3671875 0.20 411.3909607 0.14 414.2442017 1.56 422.1946106 1.45 424.2229614 0.07 426.2880859 0.07 427.6509399 0.35 429.2549133 1.21 434.4168091 0.11 435.7171021 0.69 436.3700562 0.33 440.3021545 1.72 448.2937317 0.31 452.3135376 0.63 453.8987122 1.88 454.6944885 0.03 457.5147400 0.07 462.1082764 0.36 465.7331543 0.49 466.5951233 0.34 470.5146179 0.42 472.2211304 0.07 475.2786560 0.11 480.2636719 2.25 481.7660522 0.11 483.2630615 0.53 485.2799683 0.08 492.7781372 0.06 493.3796387 2.10 495.3605347 0.11 496.4601746 0.07 498.2549744 6.67 500.3102112 0.36 505.5100708 0.13 506.3156433 0.69 507.2152710 0.28 508.3090820 0.39 511.2275085 3.44 515.3858032 0.11 521.3466797 0.55 523.1525879 0.03 524.4692383 0.45 525.2836914 1.28 526.5400391 0.11 531.4832764 0.07 533.2620850 0.61 537.0382080 0.17 539.2335815 0.32 541.3229980 0.20 543.2297363 2.26 547.1972046 0.30 551.2742310 1.92 553.3880005 0.10 554.4020996 0.23 564.3801270 1.22 565.3255615 0.12 566.2611084 0.06 569.3887939 6.69 577.2169189 0.78 582.3511963 5.79 592.3765869 0.13 594.1065063 0.59 595.3807373 1.73 596.6447144 0.14 597.5296631 0.18 604.2446899 0.52 610.4091797 1.54 611.2415161 0.20 612.3745728 0.27 614.3422852 0.15 622.3038330 5.97 629.2250366 1.04 636.2692261 0.03 638.5162964 0.13 640.3256226 10.84 640.9422607 0.13 643.3331299 0.09 648.3248291 0.52 650.7080688 0.12 660.7954712 0.21 661.5637207 0.10 663.6596680 0.05 665.1265869 0.65 666.3476562 2.43 667.9045410 0.20 675.3534546 0.60 676.5560303 0.12 683.4165039 6.13 687.0567627 0.10 693.4114380 11.70 694.5190430 1.19 700.3967896 0.18 707.4852295 0.18 711.3629150 100.00 712.0157471 0.45 721.3772583 0.25 737.2041626 0.07 739.5260010 0.54 762.4486084 0.02 765.0911865 0.52 765.6951904 0.64 778.4091797 0.16 779.4595947 0.76 797.4830322 21.78 802.9613037 0.11 808.5433350 3.86 810.4450684 0.19 812.6177979 0.11 813.7532959 0.04 814.4824219 0.13 816.5744629 0.14 818.4106445 0.43 836.5382080 0.49 850.4836426 0.11 862.7158203 0.19 863.6013184 0.14 868.5157471 8.84 879.5429688 0.15 881.1773682 0.09 889.4799805 1.13 890.9027100 0.05 907.5328369 35.46 939.6706543 0.06 950.7985840 0.05 958.5954590 0.03 965.6347656 0.02 971.4945068 0.09 975.3292236 0.04 978.3717041 2.77 992.4094238 1.71 993.6931152 0.05 1011.8068850 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 558.2755 Annotation Unknow Peak:m/z Relative Intensity 155.8378754 0.19 159.0924072 0.11 168.8159332 0.19 177.1950073 0.09 179.1183472 0.06 183.0703735 2.67 185.1664429 0.22 195.0129089 0.08 197.3362427 0.12 199.9274902 0.26 201.0793457 2.60 203.0596619 0.46 209.1308899 1.00 211.0588379 1.07 216.2421875 0.20 219.1967163 0.14 223.0020752 0.15 228.9911194 4.37 231.1317749 0.06 235.0112305 0.17 238.2874146 0.09 243.8589478 0.03 247.2815247 0.16 249.3031616 0.16 260.0120239 0.09 261.4106445 0.05 271.1594238 0.18 273.9029541 0.37 275.3435059 0.09 279.3508911 0.40 280.2361450 1.19 281.4878845 0.37 287.2309570 0.06 293.3383789 0.07 295.0213623 0.27 298.2264404 0.23 299.1486206 0.05 300.0245361 0.27 309.2751465 0.36 309.9039917 0.55 312.2860718 0.18 314.2169800 1.30 316.3034058 0.85 321.3621216 0.31 326.1354370 0.23 329.2522583 0.28 330.3933105 0.58 332.2350464 6.56 338.1382446 11.95 341.2099609 0.62 342.2771606 0.31 343.1312256 0.09 344.1185913 0.17 345.3386841 0.32 346.4207764 0.16 348.1044312 0.06 350.7213135 0.24 353.3283081 0.25 355.4085693 0.23 356.3285522 1.41 357.0618896 1.09 359.3568726 0.39 360.6510620 0.16 366.0205688 0.07 367.9159546 0.14 369.2868042 0.08 371.4138794 0.57 372.4624023 0.20 373.6889038 0.08 375.3126831 0.24 386.2706299 0.10 389.1171265 0.12 391.2203369 0.82 392.8798218 0.14 394.3687134 0.09 396.2645264 0.24 397.3361816 0.65 398.0363770 0.28 401.1749878 0.18 402.6195679 0.09 406.5183105 0.04 408.5027466 0.66 409.1309204 29.87 409.8189697 0.17 411.2435913 2.87 412.3831177 0.25 414.9882202 0.07 416.3161621 0.05 416.9462891 0.06 419.1310425 2.83 422.2021484 0.18 427.2041626 0.46 428.6520996 0.80 429.3193359 2.07 433.8095703 0.56 437.1972656 100.00 438.6004639 0.06 440.2462769 1.15 441.0675049 1.36 442.8565063 0.30 445.2564087 0.26 447.6154785 0.53 449.1441650 0.09 451.3414307 0.06 452.4251099 0.31 454.6984253 2.23 455.3717041 17.33 457.0015869 0.21 458.1462402 0.50 460.4931641 0.95 462.8620605 0.12 464.1940308 0.19 468.3099365 0.11 469.1362915 0.29 470.2543945 0.34 471.0326538 0.21 472.3946533 0.22 474.8775024 0.71 475.7518921 0.39 476.5396118 0.43 477.3001709 0.31 480.3262939 0.74 482.4017334 0.13 483.4260254 0.51 485.4774780 0.66 488.5467529 0.69 489.8394165 0.45 490.5064087 1.53 492.3960571 0.61 493.2531128 0.20 496.4770508 0.66 497.8677979 0.78 498.4690552 0.16 499.9748535 1.77 501.2578735 0.41 501.9353638 0.11 504.6195679 1.63 506.6173706 1.12 508.1926880 14.27 508.8543701 0.17 510.3131714 1.44 510.9308472 0.04 512.8596802 2.23 514.2329102 1.34 515.1084595 1.02 516.1904907 0.26 519.9729614 0.59 522.1387939 0.72 522.8209839 0.06 523.7371216 0.69 526.2417603 1.20 527.0344849 0.70 528.4529419 0.29 529.3278198 0.23 530.4634399 0.86 534.0224609 0.66 537.6625366 0.13 540.2410278 77.61 541.4282837 0.28 542.7843628 0.40 544.2281494 0.32 544.9411011 0.34 545.5737915 0.45 546.2338257 0.86 546.9082642 1.39 549.0507202 4.66 549.7800903 0.20 552.3048706 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1225.5212 Annotation Ferroxamine Peak:m/z Relative Intensity 356.1548462 0.05 393.2519531 0.04 411.2759094 0.13 434.3726501 0.07 484.2525635 0.10 504.3630371 0.07 505.0048218 0.21 505.6786499 0.13 522.2649536 0.20 523.4040527 0.13 532.5111084 0.05 540.1160278 0.02 554.2192383 0.11 595.2218018 0.27 615.5198975 0.03 616.6480713 0.08 621.9591064 0.07 624.3116455 0.04 634.5388794 0.10 652.3493652 0.15 661.4836426 0.16 666.3892822 10.62 667.3619385 0.06 684.4392090 1.29 722.4603882 0.15 734.5726929 0.05 735.4014893 0.04 737.3761597 0.07 753.4665527 0.06 777.3606567 1.86 778.4444580 0.21 781.7409668 0.12 788.8698730 0.13 795.4746094 8.54 820.6853027 0.13 833.3191528 0.06 834.4990234 0.09 835.5062256 0.05 850.5000000 0.27 852.6616211 0.03 866.5638428 0.56 868.3449707 0.31 884.4422607 4.02 898.5797119 0.26 901.7807617 0.06 931.2683105 0.14 932.5814209 0.15 945.2790527 0.29 949.6054688 0.30 950.3674316 0.05 962.5051270 0.25 963.4467773 1.53 981.5256348 23.78 984.9196777 0.08 999.6389160 0.04 1007.9205320 0.04 1030.7912600 0.07 1043.4219970 0.16 1046.5595700 0.07 1051.5996090 0.05 1055.8597410 0.08 1060.5853270 0.08 1062.5642090 0.05 1064.4117430 0.19 1074.6359860 1.94 1075.6484380 0.65 1078.8010250 0.12 1082.6188960 0.03 1084.6572270 0.22 1092.5036620 21.22 1093.4433590 5.77 1094.0966800 0.21 1096.6152340 0.28 1110.4975590 30.00 1111.2644040 0.08 1113.6456300 0.11 1127.7122800 0.05 1128.7940670 0.16 1146.2656250 0.18 1147.0043950 0.17 1154.1774900 0.21 1154.9598390 0.37 1158.3508300 0.31 1163.5258790 0.04 1171.4055180 0.31 1172.4423830 3.42 1173.7508540 0.37 1175.5073240 0.30 1176.4152830 0.04 1180.8823240 0.18 1183.8559570 0.03 1189.8166500 9.91 1190.6090090 30.66 1191.6269530 0.10 1193.5388180 0.35 1194.3607180 0.15 1201.0411380 0.16 1202.4984130 0.43 1207.4804690 100.00 1208.4775390 11.76 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 896.4681 Annotation Unknow Peak:m/z Relative Intensity 255.1431274 0.35 261.1776733 1.77 266.1206970 0.21 268.1235352 0.51 278.0429382 0.13 280.2923889 0.10 285.3639832 0.20 296.2928467 2.68 307.0880737 0.07 323.2238770 0.12 326.1316528 0.18 337.2935791 1.48 343.3558044 0.10 346.3015747 0.25 347.4204712 0.47 351.1270752 0.89 365.2169189 6.70 367.3026123 0.96 369.1027527 0.26 377.2476807 0.11 378.7672119 0.58 379.4493713 0.60 381.7015381 0.16 383.2268677 0.47 385.0599365 0.13 395.1862793 0.62 397.2579956 1.20 401.2256775 0.33 422.4188232 1.13 425.0398560 0.35 436.1762085 1.93 439.0847778 0.44 440.2954102 1.55 441.2731934 0.16 446.7330933 0.64 448.5957031 0.64 450.3497925 0.27 457.3579712 50.81 464.3538818 13.85 466.2731323 0.09 468.3020630 3.89 476.1651611 0.21 477.8701782 0.26 483.3544312 0.31 491.7972412 0.10 494.1734009 1.43 496.2403564 1.53 501.4875488 0.21 507.4380493 0.49 515.2243042 0.13 519.2877808 5.26 520.6041260 0.36 523.9570923 0.26 528.3823853 0.81 535.3782959 2.72 537.3078003 1.97 539.2598267 0.65 547.2901611 6.55 549.5249023 0.13 554.3636475 0.10 559.2958374 0.09 563.3421021 0.11 565.2284546 0.89 567.3516235 3.45 574.9984741 0.17 575.7545776 0.07 578.4272461 0.14 584.8327637 0.14 590.1723022 0.11 591.4399414 0.22 592.2687988 0.37 593.5181885 0.07 600.7485962 0.61 606.2968140 0.22 608.3007812 2.40 608.9199219 0.90 618.3256836 9.44 619.4113159 0.14 623.5409546 0.35 625.3670044 100.00 626.0970459 0.17 636.4077759 69.86 638.2456665 0.63 641.4985962 0.24 646.2946777 4.94 650.4751587 0.18 651.3374634 0.26 660.5726318 0.60 664.4397583 2.38 666.1873779 0.12 667.5452881 0.40 678.3348389 0.15 678.9385376 0.36 684.4085083 0.18 690.2494507 0.30 691.7255249 0.32 696.3798218 33.46 700.1350708 0.18 707.4074097 2.22 716.5473022 0.40 717.4575195 5.10 735.4037476 77.68 736.0844116 0.12 745.0545044 0.25 748.9804688 0.55 758.1464233 0.26 786.7666626 0.69 796.0082397 0.94 800.9265137 0.11 804.5951538 0.15 818.4437866 0.22 821.3191528 0.37 823.4011230 0.65 825.5090332 0.51 827.0271606 1.29 828.2703247 1.51 829.2495728 2.89 830.5718994 0.06 834.5177612 22.85 835.3527222 10.30 836.2662354 0.10 843.7470093 0.42 846.7692871 0.13 849.5806885 0.82 851.4281616 0.64 859.6301880 1.06 860.5811157 0.95 864.4032593 1.13 872.6768188 0.58 875.5944824 0.64 877.9660034 0.73 878.5720215 3.16 882.1762085 0.77 886.3117065 0.60 887.6522827 0.30 895.6926880 0.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1250.09 Annotation Unknow Peak:m/z Relative Intensity 346.9520569 0.01 365.2022095 0.03 394.9892883 0.03 467.1164551 0.74 487.5834961 0.01 501.4346313 0.02 541.4862061 0.04 601.7150879 0.03 619.5591431 1.18 633.5145264 0.01 661.6729736 0.02 703.8900757 0.01 727.6879883 0.15 763.5514526 1.03 781.5239868 100.00 782.1713867 0.17 795.5110474 0.03 823.4359131 1.23 824.0364990 0.04 863.3958740 0.26 865.4952393 0.03 925.7343750 0.02 1105.1334230 0.04 1105.7927250 0.06 1147.6633300 0.02 1187.6506350 0.02 1231.6051030 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 592.5471 Annotation Unknow Peak:m/z Relative Intensity 179.1485138 0.05 187.0975037 0.12 193.9531250 0.04 194.9833527 0.17 211.2798004 0.12 217.3159790 0.10 224.9943848 0.07 226.1439362 0.15 231.2979889 0.24 247.1417542 0.07 253.2547913 0.21 260.4718628 0.11 262.5072327 0.24 265.0963135 0.09 295.2938232 0.83 296.1345825 0.06 302.3992310 0.27 303.3043213 0.09 304.1822205 0.24 305.4771118 0.27 312.4013062 0.70 313.2723389 1.75 320.3765259 0.94 322.4151001 0.15 323.1395264 0.23 330.3395386 11.68 331.4782715 0.69 338.3688965 1.75 340.4255371 0.05 343.4190674 0.06 353.0326538 0.05 354.4786987 0.10 404.2108765 0.10 410.2108765 0.10 417.0532837 0.09 424.3628540 0.04 425.0131836 0.13 449.0855103 0.06 451.5506592 0.03 468.1983032 0.06 473.4091797 0.05 484.7595825 0.12 490.8635864 0.30 504.9345703 0.10 511.1606445 0.03 512.3875732 0.05 516.6100464 0.09 518.5282593 0.10 524.9987793 0.13 525.7068481 0.18 543.8726196 0.36 547.0128784 0.06 548.6085815 0.03 550.8037720 0.13 554.9643555 0.08 555.8673706 0.07 557.2660522 0.23 558.5231323 0.52 559.8084106 0.09 574.6460571 100.00 575.6592407 14.01 576.7041016 1.66 577.7056885 0.22 592.5393677 4.11 593.4454346 0.55 594.1643066 0.14 595.6367798 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 683.2249 Annotation Citbismine C Peak:m/z Relative Intensity 281.1501160 0.04 322.8050842 0.07 339.4819946 0.12 341.1425171 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 474.1528 Annotation Unknow Peak:m/z Relative Intensity 133.9427795 0.40 136.8927765 0.10 141.1464386 0.16 144.1020813 1.27 146.3286133 0.19 147.0578613 0.14 151.0074158 0.24 151.8941650 0.08 156.9419861 0.14 161.9543457 6.16 167.0681915 57.70 169.0939331 0.09 169.9085083 0.24 178.9424896 22.61 180.2319489 0.18 187.1517029 0.53 201.9312744 0.07 215.0474854 0.38 217.2211761 0.20 225.1676941 0.90 227.3463745 0.11 233.0712585 3.69 237.7885132 0.09 241.8317566 4.08 245.1172791 0.06 247.2977905 0.25 249.2970581 0.12 253.9618225 0.23 260.2668457 2.56 270.0945740 0.19 272.3479004 0.45 279.8184509 0.21 284.2680359 0.44 284.9210205 0.30 285.5509033 0.11 287.2243042 0.78 290.1339417 0.56 291.2233582 1.84 296.1625366 0.11 299.2050781 0.62 300.4664917 0.15 303.0144653 0.16 308.0916748 100.00 311.2441406 0.15 313.2272949 0.39 315.2396851 0.30 317.4394836 0.30 323.1383667 0.46 324.7036438 0.08 327.1596069 0.71 331.8309326 0.18 335.1224060 0.16 341.2774963 0.97 342.0738525 0.31 345.0435791 42.13 356.3623657 0.09 357.2439575 1.40 358.3455505 0.28 368.2925415 0.18 369.3530884 0.24 370.4842834 0.78 371.1149292 0.20 377.4437866 0.44 381.1847534 0.43 382.1328430 0.12 383.5432129 0.31 384.4065247 0.30 385.2989807 0.27 387.4410706 0.48 389.5345154 0.10 394.4454651 0.53 399.1209717 6.56 402.4058533 0.58 405.4648132 0.29 415.6586609 0.88 416.4524536 0.27 417.4858398 0.07 418.4888000 0.17 419.4691772 0.46 422.5766296 1.35 423.2278137 0.22 424.1728821 0.44 427.6467590 0.13 428.3272705 0.21 429.1512756 0.09 429.8246155 0.68 431.1368713 0.80 434.7082214 0.79 436.6280212 3.18 437.7079773 0.36 441.0510559 0.32 442.4024658 0.76 443.0454407 0.69 449.0444031 0.47 451.8423767 0.89 453.6269836 1.39 455.4011230 1.80 456.3348389 2.32 457.2354431 0.15 458.5140686 1.39 459.3984985 0.12 460.5909424 0.38 462.0184021 0.19 462.9622192 2.21 463.6828308 2.16 465.2548523 4.47 466.3819885 0.25 467.6287537 3.08 468.5809631 0.13 473.4065552 0.08 484.8124695 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 625.2134 Annotation Stecholide L Peak:m/z Relative Intensity 180.8717651 0.14 273.1314087 0.04 322.9389038 0.17 341.1886597 0.16 359.1871948 0.13 372.8908081 0.12 380.3517456 0.16 414.8888550 0.08 417.1851196 100.00 417.8428345 0.17 432.9209595 0.29 439.3784790 0.09 463.0872192 0.18 473.4680786 0.08 480.6616821 0.06 481.7190552 0.07 503.4191284 0.19 520.6365356 0.30 522.6460571 0.13 523.2484131 0.08 525.4830933 0.36 541.2421265 0.07 549.5795288 0.03 551.3727417 0.15 557.1619263 0.17 561.1238403 0.07 562.5342407 0.10 563.3364868 0.27 571.5272827 0.04 576.8797607 0.08 578.2618408 8.04 578.9199219 43.07 579.9609375 0.10 581.3312378 0.27 588.6183472 0.05 597.2799072 0.05 606.5629272 0.49 607.4310913 0.47 615.3114624 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 665.1924 Annotation Unknow Peak:m/z Relative Intensity 191.3937531 0.09 194.1136475 1.99 209.0932312 36.67 246.2750854 0.10 247.0202789 0.42 256.1260376 0.08 271.2175903 0.13 279.2162476 0.08 289.0633545 0.13 292.6217041 0.21 306.3042297 0.20 328.2566528 0.48 331.2083740 0.06 355.2308350 0.05 368.6450195 0.19 369.4817505 0.09 409.1048584 0.05 409.8415527 0.19 410.9988403 0.65 411.8975220 3.86 412.7371826 37.70 415.3054810 0.34 416.9139404 0.13 427.3851318 0.07 439.3279419 0.33 441.6443481 0.18 445.4798584 0.04 453.6865845 0.41 455.2611694 2.34 456.1033325 12.73 456.7102661 38.56 457.4272461 0.13 473.2095947 0.12 481.2235107 3.00 482.1019287 0.20 484.7608643 0.06 490.1173096 0.34 490.8980103 0.10 498.9408569 0.16 501.4710083 0.20 503.3706665 0.29 505.2286377 0.04 511.1475830 0.53 521.3856201 0.06 530.6005249 0.18 532.3856812 0.16 536.1941528 1.30 541.2071533 0.06 543.2579346 0.21 544.4743042 0.12 549.4094849 0.08 559.1422729 0.64 574.1976318 0.11 575.0178223 0.64 578.3125000 0.11 579.2848511 0.23 580.1068726 0.05 584.3161011 0.17 587.2777710 0.09 588.9352417 0.32 601.0557251 1.54 602.5101318 0.11 605.5849609 0.06 607.4353638 0.12 613.7427368 0.08 617.8821411 5.49 618.8071899 100.00 620.5466309 0.54 621.4369507 0.38 624.2870483 0.12 626.3302612 0.04 627.5418091 0.07 629.2184448 0.37 630.2395630 0.20 631.0826416 0.12 631.9823608 0.18 634.3494263 0.46 635.0393677 0.15 635.8049927 0.10 642.4416504 0.59 645.1328125 0.21 646.5046997 1.12 647.4054565 0.88 650.5626831 0.25 656.1362915 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 474.2619 Annotation LysoPE(0:0/18:3(9Z,12Z,15Z)) Peak:m/z Relative Intensity 140.0151520 0.19 152.8236694 0.11 196.0344238 3.30 214.0013428 0.81 233.2563019 0.46 259.3773193 0.50 261.4311523 0.12 275.2103882 0.41 277.3468628 100.00 325.3234863 0.17 339.1374512 0.14 343.1359863 0.25 345.5566406 0.09 347.4054565 0.10 382.3440552 0.07 391.5498352 0.17 395.4838562 0.31 400.2370300 0.09 411.5773621 0.18 412.4322510 0.03 413.2856140 0.14 414.9609375 0.07 430.3205872 0.39 436.3205261 0.21 438.5174866 0.03 445.9980774 0.06 456.1042786 0.63 458.1027222 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 811.4458 Annotation Randiasaponin VII Peak:m/z Relative Intensity 325.3289185 0.22 327.5687256 0.09 393.6870117 0.09 395.5596313 0.14 411.4977417 0.30 443.2734985 0.62 455.4264526 0.21 469.2822876 0.15 473.6237183 0.08 485.6774902 0.11 487.4586182 19.47 488.1294556 0.34 488.7817993 0.23 497.8517456 0.06 499.2368774 0.12 515.3232422 0.14 519.6868896 0.06 529.3579102 0.07 541.6220703 0.31 559.1256714 0.20 565.4123535 0.17 583.6054688 0.24 595.4293213 0.18 601.5276489 0.59 605.1170044 0.04 607.3302612 0.10 629.9612427 0.04 631.4661865 6.91 632.1169434 0.19 649.5733032 100.00 650.6179199 2.12 654.8386841 0.06 663.7335815 0.12 691.5735474 0.18 715.4339600 0.04 729.6164551 0.05 756.1991577 0.04 765.4799805 0.10 769.2451782 0.15 770.1268311 0.07 793.3777466 2.72 794.0242310 0.21 811.4292603 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 576.1671 Annotation Unknow Peak:m/z Relative Intensity 148.9100800 0.13 162.0642548 1.51 163.0618286 0.81 168.9673157 0.13 171.9342346 0.29 173.0306396 0.30 174.8788910 0.32 177.0927124 0.14 178.9366608 10.91 180.2379150 0.14 181.0685120 0.19 187.2291260 0.22 187.9780579 0.08 190.1075287 0.14 192.6873474 0.24 196.2117615 0.30 199.1509705 0.05 202.9717865 1.63 206.8755646 2.16 211.3905640 0.03 213.2326965 0.05 215.1927643 1.02 216.3254089 0.17 217.0572510 0.60 226.2996521 0.10 228.2680664 0.17 229.0494690 0.04 233.1005249 3.42 234.2579193 0.15 235.3774109 0.06 237.1995392 0.08 239.1244202 0.23 243.1273193 0.07 244.0421448 0.07 245.1075439 0.36 247.0562897 0.26 250.8044891 0.39 260.2322998 0.06 262.1072388 0.06 265.4364319 0.14 268.6838379 4.76 272.1276245 0.58 273.2218628 0.16 279.0533447 0.07 281.2280884 0.12 282.4492188 0.14 284.0513916 0.18 285.0370483 0.10 286.3132935 0.21 288.3784790 1.50 290.1196594 1.44 291.2109985 0.47 292.0760498 0.11 294.1195068 0.14 296.9471436 0.33 302.3064880 0.14 306.0841980 0.80 308.1076660 80.89 309.1442261 22.97 310.2677002 0.33 312.2171631 0.04 316.3223267 0.27 318.0440674 0.05 326.1226807 0.60 326.9172974 2.22 327.6520996 0.17 329.1124268 0.06 330.1024780 0.12 330.8234253 0.03 336.9186401 0.27 340.2886963 0.10 343.8526001 6.26 344.9986572 0.12 348.0097046 0.19 350.4860840 0.04 351.9345093 0.29 354.1579590 0.08 357.2807617 0.25 363.1459961 6.43 364.3113403 0.32 369.8783569 0.16 372.2055664 0.32 373.3521118 0.22 383.1267700 0.34 386.4494629 0.41 387.0750732 0.14 390.2576904 0.09 392.1348267 0.05 395.2767944 0.04 396.7519531 0.10 397.6514893 0.11 399.1782837 0.08 399.9994507 0.65 403.3015747 0.16 409.1020508 0.09 410.2651367 0.65 411.1417847 0.13 413.3348999 0.74 414.1732788 0.08 416.3982544 0.51 420.1157837 0.26 421.3838501 0.69 425.2759399 0.94 425.9500122 0.19 429.1998901 42.67 430.6239624 0.25 431.3718262 0.08 433.3474121 0.06 436.1458740 0.07 438.1331787 18.14 439.0553589 0.27 440.2719727 0.09 441.3482056 0.05 442.1259155 0.12 443.7044678 0.49 444.5490723 0.41 445.4563599 0.80 447.0129395 100.00 447.6788940 0.33 449.1415405 0.07 454.2281494 0.31 456.3493652 0.57 457.4573975 1.65 458.2213745 0.38 459.5457153 0.20 460.2572632 0.10 466.2136230 0.32 468.1071167 0.15 469.0517578 0.15 470.3275757 0.12 472.2103882 0.13 474.1671143 0.14 475.5108032 0.12 477.3665161 0.12 483.0381470 1.26 485.3424072 0.15 486.5170288 0.56 488.4519653 0.45 490.3865967 0.10 491.1943970 0.18 492.9703369 0.20 494.3200073 0.74 495.0734863 0.04 497.9866943 0.19 501.1838989 9.84 503.0306396 0.12 503.6384888 0.51 505.3142700 0.06 507.1757202 0.05 508.5750122 0.13 509.5685425 0.27 511.7012329 0.18 512.5239868 0.46 516.3844604 1.33 517.3530884 0.56 518.1004028 0.81 520.2622681 0.40 521.4629517 0.81 522.9345093 1.32 523.7196655 0.22 524.9905396 0.66 527.2506714 0.04 529.6177368 1.29 530.4140625 0.10 531.1781006 0.68 532.6043091 0.75 533.4907837 0.61 537.4890747 0.90 538.5175171 0.39 539.5748901 0.04 540.4625854 0.35 542.2395630 0.73 542.8733521 0.18 544.2667847 0.12 545.3539429 0.15 546.1530151 0.06 547.0902710 0.31 548.5321045 0.55 549.2015991 0.20 550.5802002 1.18 551.6235352 0.10 555.4851685 0.09 558.0628052 25.32 559.2931519 0.42 560.0486450 0.56 560.9070435 0.87 562.1228638 0.07 562.7472534 0.50 563.7267456 0.81 564.4188843 1.30 565.3801270 0.31 566.6856079 7.32 567.5359497 3.43 568.9909058 0.07 569.6997681 0.53 581.9016724 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 502.92 Annotation Unknow Peak:m/z Relative Intensity 155.0505066 0.04 158.9385071 3.99 160.0285339 0.50 160.9751282 0.84 198.9959717 0.49 200.0844116 0.34 200.9959717 0.57 228.9683990 0.73 229.9251862 0.27 230.9493408 0.14 272.9468689 51.46 273.9776611 30.30 275.0394287 28.73 373.4214478 0.09 384.9497986 0.10 386.9244690 51.40 387.9510803 79.60 388.9277039 100.00 397.9336243 0.06 402.3959656 0.05 418.1792297 0.06 428.3262634 0.04 429.2167664 0.41 441.1641846 0.10 455.5942383 0.20 456.9714355 0.65 458.0425720 0.07 475.1491394 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 727.2078 Annotation Parishin C Peak:m/z Relative Intensity 232.9057465 0.10 243.0773621 0.06 249.1454773 0.20 251.1951294 0.05 282.9313965 0.07 306.3025818 0.15 311.1315308 0.30 323.4147339 0.19 332.0249634 0.05 338.9039917 0.06 341.3030396 0.07 353.2351074 2.97 359.2866211 0.17 367.1973877 4.16 373.4768066 0.31 384.0131836 0.08 390.0234375 0.28 402.9187012 0.11 412.6837769 0.05 419.1846924 0.06 420.4420776 0.07 448.5364380 0.08 465.2300415 1.13 489.1896362 0.16 491.4998779 0.06 501.0963745 0.09 503.3360596 0.30 511.6288452 0.07 513.4414673 0.08 515.4403687 0.08 518.0523071 0.14 521.4724121 0.40 527.9010010 0.23 529.4603271 0.34 536.1410522 0.08 542.4713135 0.08 546.8322754 0.48 550.3363037 0.08 551.3446655 0.42 552.8859253 0.05 563.9887695 0.10 565.1818237 100.00 565.8633423 0.06 581.5049438 0.24 582.5240479 0.16 588.1076050 0.15 595.1721802 0.06 598.2576294 0.19 607.5211792 0.08 610.1647949 0.35 619.4011230 0.16 620.9208984 0.25 625.4546509 0.26 626.6162720 0.32 629.3206177 0.09 630.4498291 0.10 635.0988770 0.49 638.6105347 0.68 639.4119873 1.41 640.3433228 0.09 641.3178101 0.07 645.8988037 0.14 647.3735962 0.05 648.1529541 0.09 651.5911255 0.34 661.4064331 0.39 664.3362427 0.69 675.7149658 0.08 678.0545044 0.20 679.2695923 0.12 681.1631470 6.27 682.4223022 3.98 683.3468628 0.92 686.6240845 0.05 689.3209839 0.37 690.9793091 0.34 692.4351807 0.24 694.6080322 0.78 695.5719604 1.16 696.5763550 0.42 697.5484009 0.40 704.4035034 0.44 705.4180298 0.06 708.4885864 0.93 709.2232056 1.25 709.8536987 0.20 710.4874878 0.08 717.4402466 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1103.5286 Annotation Saponarioside M Peak:m/z Relative Intensity 323.1881714 0.19 355.3940430 0.10 379.6312866 0.08 381.5833740 0.11 385.7138367 0.14 393.3113708 0.04 401.6224976 0.17 409.8547363 0.04 411.4707947 0.74 423.4252930 0.46 427.4946289 0.09 429.3562012 0.31 439.4810486 0.15 441.5001831 0.10 457.0904236 0.10 459.4686890 11.63 467.1828613 1.82 471.7024536 0.12 485.0782776 0.16 521.7041016 0.11 529.5472412 0.13 591.5301514 7.22 633.6242676 0.22 635.4228516 100.00 636.0955200 0.41 672.3282471 0.15 677.4706421 1.42 717.3493652 0.25 719.9143066 0.07 745.6727905 0.20 779.4927368 0.14 839.0494385 0.22 840.0717773 0.41 856.5675049 0.20 881.3773193 0.07 891.4870605 0.11 923.6203613 0.07 929.1558838 0.04 956.2327881 0.06 959.2700195 6.82 959.9840088 0.12 979.2868652 0.07 983.8900146 0.16 1001.2961430 1.14 1029.8745120 0.04 1036.6687010 0.28 1039.5086670 0.13 1041.3398440 0.29 1043.2005620 0.25 1053.4089360 0.43 1054.2437740 0.19 1058.3645020 0.44 1059.5407710 0.59 1064.8503420 0.44 1073.4920650 0.14 1084.3356930 0.11 1085.3183590 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 543.131 Annotation Galactotriose Peak:m/z Relative Intensity 201.1002502 0.25 218.2181091 0.12 218.9530640 0.32 292.5188599 0.11 363.2324829 8.96 377.4753418 0.07 381.1336060 100.00 382.2410889 0.23 401.2606812 0.04 434.5042114 0.07 452.4253540 0.09 455.2308350 0.06 483.2306519 0.19 525.1150513 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 561.1271 Annotation Unknow Peak:m/z Relative Intensity 244.0302277 0.02 248.9145813 0.13 250.1564941 0.16 251.3065033 0.04 253.9899292 0.16 256.1139832 0.01 272.0018921 0.13 276.1399231 0.03 285.5236816 0.02 291.4938049 0.03 306.3137207 0.03 308.1891479 0.03 309.9137268 0.11 312.6409302 0.06 313.3143921 0.15 318.2303467 0.05 326.1967163 0.01 327.1255493 0.11 328.3121338 0.04 339.3736572 0.04 340.8417358 0.02 345.1166382 0.03 351.3356934 0.09 352.4055176 0.49 353.5437622 0.19 354.2970581 0.09 359.3231201 0.02 361.4276123 0.05 362.3193970 0.12 368.5463867 0.04 369.5749512 0.03 379.8869629 0.06 390.3927002 0.06 397.1965332 0.04 398.4584961 0.03 399.0812378 0.02 401.4281006 0.06 403.0816650 0.07 410.1140747 0.05 410.9193726 0.06 414.3056030 0.05 416.0420532 0.05 429.2286987 0.01 430.4562378 0.06 431.3276978 0.09 435.9864502 0.09 440.2224731 0.05 445.1774902 0.06 455.2584229 0.03 459.3936768 0.05 465.0089111 0.02 475.2310791 0.69 476.4244995 0.10 495.4024048 0.04 498.1571655 0.15 500.0960083 0.03 500.9295044 0.12 509.7537842 0.03 510.8986206 0.14 514.0975342 0.02 515.1845093 0.16 517.1845093 100.00 518.1400146 0.11 521.5104370 0.08 524.1451416 0.03 525.3164673 0.22 526.5256958 0.29 527.3915405 0.26 528.2257080 0.02 528.8842163 0.08 529.6339111 0.03 530.9363403 0.21 531.6951294 0.07 542.4411011 1.02 543.2363281 0.53 544.5346069 0.02 546.0913696 0.05 552.0267944 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1171.552 Annotation Assamsaponin A Peak:m/z Relative Intensity 365.1336670 1.39 372.5413513 0.07 395.3234558 0.49 396.1558228 0.05 405.1696777 0.07 406.2269897 0.09 407.1306152 0.23 425.1520996 0.19 441.6125183 0.43 444.7556152 0.12 451.0626221 0.16 467.0860596 2.65 468.2038574 0.86 542.6013184 0.08 584.8804932 0.23 601.5727539 1.06 602.4967041 1.53 619.3753662 0.96 620.4569092 2.40 643.5258179 1.77 644.5428467 1.97 645.6927490 0.08 661.4507446 7.37 662.4573364 15.40 663.3855591 0.40 703.4656982 46.63 704.4827881 100.00 705.4443359 9.39 727.5323486 0.07 745.5850830 0.33 746.4528198 0.30 786.6528320 0.06 788.7282715 0.11 849.1259766 0.11 866.1320801 0.08 950.4263916 0.16 986.4439697 0.53 1010.1054690 0.78 1027.1835940 1.37 1028.2382810 17.39 1029.2785640 1.94 1070.2302250 2.12 1071.3073730 0.96 1110.3050540 1.51 1112.5798340 0.12 1131.4318850 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 610.2897 Annotation Theasaponin F1 Peak:m/z Relative Intensity 178.3184204 0.07 183.3150024 0.09 186.8794403 0.04 188.9783020 1.08 190.1069031 0.26 191.9493103 0.13 200.7611694 0.03 203.3095398 0.09 209.2880554 0.08 218.9921265 0.31 222.2742615 0.09 229.0231323 0.03 231.1154785 0.03 234.1851196 0.31 235.1788788 0.03 236.1899567 0.03 245.0748596 0.21 246.7519989 0.07 247.3764038 0.05 248.1896667 0.20 257.9123230 0.07 262.1275024 0.31 267.2681274 0.03 283.3750000 0.04 290.0905151 0.07 292.0538635 0.02 297.1503296 0.07 310.1313477 0.19 311.4457092 0.06 316.2361450 0.07 317.1412354 0.09 321.2922363 0.05 326.2351074 0.10 331.9616699 0.11 333.2615356 0.09 334.3982544 0.08 336.1939087 0.16 341.3701172 0.21 342.2816772 0.09 344.3146973 0.03 350.4014893 0.02 353.8587036 0.11 355.0536499 0.06 356.3611450 0.16 357.8405762 0.09 359.2091064 0.14 361.2381592 1.67 362.1318359 0.04 373.0814209 0.05 375.8145752 0.02 378.0535278 0.09 382.3285522 0.04 383.0081177 0.04 384.8536987 0.08 389.4126587 0.13 394.0253906 0.06 397.0452271 0.10 397.9244995 0.13 399.2797852 0.02 402.1947632 0.05 406.3066406 0.03 412.6603394 0.12 415.3511353 0.06 416.3754272 0.04 418.1323242 0.05 419.4989014 0.02 422.2828369 0.30 429.4716797 0.21 430.5575562 0.05 432.3952637 0.14 441.7756958 0.05 443.3412476 0.29 447.2775879 0.06 448.3721313 0.02 449.1931152 0.26 450.2734985 0.40 451.1582031 0.07 451.9975586 0.25 459.4108276 0.13 461.4092407 0.26 462.5490723 0.06 465.5047607 0.22 470.4083252 0.42 472.2161865 0.07 473.4420166 0.09 474.3280029 0.26 475.2775879 0.14 476.2114258 0.52 477.3444214 0.21 479.0290527 0.18 480.8347778 0.25 481.5130615 0.15 487.1220703 0.03 492.2307739 0.03 493.7875977 0.49 494.6374512 0.07 495.3024902 0.03 497.2429199 0.75 499.4448853 0.17 500.5109253 0.47 502.2608032 0.77 503.2069702 0.11 505.3475342 0.06 507.0447388 0.19 507.7522583 0.49 508.3669434 0.66 509.1922607 0.24 509.8720093 0.67 511.7584839 0.05 512.5036621 0.05 513.4749146 0.12 514.7141724 0.03 516.4231567 6.50 517.4512329 0.25 519.2538452 0.02 520.7124023 0.24 521.8333130 0.30 522.4523926 0.10 525.3951416 0.43 529.1611938 0.06 530.5525513 1.90 531.2185669 0.49 532.2578735 0.30 534.2893677 0.06 534.9192505 0.16 536.2044067 0.10 537.2809448 0.20 538.0688477 0.11 540.0000000 0.35 542.2881470 1.33 543.5382080 3.96 544.9226685 0.23 548.3809204 3.74 549.4953003 0.16 550.5934448 0.38 551.8355713 12.48 552.5104370 9.78 553.8149414 0.23 554.6292725 0.19 555.8687744 0.19 556.8171997 6.96 557.4608154 23.79 558.3494263 0.84 559.1725464 0.19 560.4912720 0.29 562.2301636 0.22 566.0327759 100.00 566.9909668 3.68 567.9240723 0.49 568.9783936 0.70 570.4350586 0.88 571.4253540 0.19 572.2229614 0.22 572.8253784 0.21 573.5632935 0.63 574.3427734 0.11 575.7567749 0.12 578.4690552 0.37 580.7095337 0.22 582.5885620 0.02 584.4981079 0.33 585.7673950 0.08 586.9540405 0.33 588.0548096 0.36 590.3439941 0.05 593.2419434 5.64 594.1363525 0.44 595.0001831 0.38 598.4105835 0.10 599.2947388 0.20 599.9285278 0.06 601.4963989 3.24 602.4371338 0.84 613.8422241 0.13 617.9199219 0.03 641.3118286 0.20 643.3602905 0.08 644.1298828 0.16 645.4503174 0.05 648.2516479 0.07 649.9557495 0.21 650.5596924 0.16 651.3886719 0.03 654.0778809 0.13 655.4124756 1.55 656.2890625 0.17 657.8968506 0.05 659.0488281 0.05 659.6532593 0.13 660.2822876 0.28 666.5464478 0.02 670.0448608 0.27 678.3345947 0.54 679.1450195 0.04 680.1557007 0.04 680.9308472 0.08 684.2616577 0.36 699.6022949 0.09 701.5234375 0.03 704.2617798 0.05 705.9716187 0.14 713.4162598 0.13 714.2322388 0.10 714.9774170 0.04 716.2930298 0.33 718.2826538 0.10 720.4384766 0.26 723.4097290 0.07 729.9196167 0.07 730.6065063 0.03 732.3484497 0.14 735.3501587 0.06 736.1312256 0.13 737.5310059 0.35 740.6257935 0.14 741.2500610 0.07 742.5011597 0.37 746.4862671 0.03 747.6543579 0.05 748.5590820 0.03 751.6690063 0.06 753.0479126 0.21 754.0087280 0.42 755.2946167 0.08 756.9371948 0.07 760.0387573 0.10 770.4807739 2.62 771.5446167 1.43 773.4468384 0.10 774.8718872 0.09 777.1437378 0.21 784.5726318 0.05 788.7271729 0.02 794.8439941 0.12 797.2816162 0.17 802.3099365 0.11 805.1220093 0.40 808.1665649 0.06 812.5343628 0.11 814.1263428 0.33 814.9913330 0.26 817.7944336 0.07 821.6856689 0.44 823.5299683 0.04 830.1515503 0.11 832.1010742 0.05 838.6665649 0.03 840.9169922 0.17 843.1574707 0.19 844.0388794 0.02 845.8731079 0.18 847.4319458 0.27 849.6478882 0.14 851.4097290 0.10 853.0490723 0.07 855.6779175 0.12 857.2474976 0.05 864.4276733 0.08 867.7977905 0.23 869.4625854 1.43 870.4692993 0.73 871.3098755 0.33 873.7172852 0.03 877.5186157 0.04 878.4067993 0.14 881.7295532 0.05 884.3720093 1.39 885.3782349 0.66 887.8906860 0.07 894.3937988 0.10 901.6537476 0.03 902.4663696 0.26 903.3727417 0.23 905.0153198 0.07 905.6564331 0.02 908.5689087 0.02 911.3775024 0.10 919.5139771 0.19 922.3773804 0.04 923.6994629 0.03 927.5588379 0.09 933.7952271 0.10 938.4395142 0.46 939.6591187 0.17 940.4751587 0.13 948.4113770 0.04 960.5322266 0.09 961.3537598 0.10 965.8078003 0.02 966.5668945 0.12 967.2935181 0.07 972.3633423 0.02 975.7495117 0.04 982.1222534 0.02 983.4967651 0.41 985.4509277 0.04 986.5068359 0.02 987.5216675 0.11 989.8363647 0.05 993.8814087 0.15 994.5068970 0.19 996.7052612 0.08 998.4456177 0.14 999.5256348 0.52 1000.4702760 0.31 1001.4995730 0.42 1002.4624630 0.04 1008.6145630 0.04 1011.2935180 0.03 1012.0609740 0.11 1013.2954100 0.13 1014.2703250 1.10 1015.6640620 0.60 1017.5162960 1.39 1018.4702760 0.50 1019.3059080 0.17 1024.3717040 0.05 1026.4899900 0.05 1028.4367680 0.07 1029.5668950 0.21 1031.4812010 12.89 1032.5550540 7.57 1033.7788090 0.49 1040.4870610 0.11 1042.2541500 0.35 1058.0168460 0.13 1060.3151860 0.23 1062.5858150 0.09 1087.4768070 0.13 1113.5234380 0.14 1114.5938720 0.28 1130.7510990 0.53 1131.5976560 0.46 1132.8557130 0.10 1167.9439700 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 173.01 Annotation Dehydroascorbide(1-) Peak:m/z Relative Intensity 72.9930573 0.13 85.0281067 0.88 100.8388062 0.04 110.8945007 100.00 127.0466003 0.04 129.0073395 8.53 155.0178680 28.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 566.7537 Annotation Unknow Peak:m/z Relative Intensity 172.0770569 0.13 173.1703949 0.24 184.9598694 0.29 186.9362793 0.19 188.1088562 0.28 189.0804901 0.29 192.9709473 0.17 193.9406128 0.05 195.0410767 0.08 195.9682312 0.05 196.9396515 0.04 199.0356750 0.10 202.8491821 0.03 205.0331268 1.29 206.1626282 0.41 214.9497375 0.03 216.9154358 0.04 219.2211609 0.07 221.2138062 0.03 227.1939392 0.07 228.8566284 0.13 231.2067871 0.13 233.1181793 0.13 247.0063629 0.04 249.1911163 0.21 250.2502136 0.03 258.5697632 0.21 259.2852783 0.02 277.0784912 0.52 282.1757812 0.04 286.2683716 0.09 287.3186035 0.04 289.4982910 0.03 294.0148926 0.25 305.2519531 0.19 310.3242798 0.15 315.7355347 0.06 323.2044678 0.07 336.3225098 0.10 346.3609619 0.10 351.8095703 0.23 357.2027588 0.06 365.2076416 0.13 368.9370728 0.07 370.2922974 0.05 371.0229492 0.06 372.9811401 0.38 373.8769531 0.24 376.2130127 0.12 377.5760498 0.27 378.5948486 0.22 379.4691772 0.12 383.4929810 0.03 386.1369629 0.22 386.8485107 0.20 395.1751099 0.27 404.0719604 0.12 404.8786621 0.04 413.3900757 0.06 419.2166748 0.05 419.9606323 0.38 439.4857788 0.09 444.2304077 0.05 446.3994751 0.15 448.2381592 0.11 451.4224854 0.03 458.6824951 0.36 461.9805298 0.39 464.5521240 0.51 473.1058960 0.34 474.3363647 0.47 475.4069214 0.08 476.3698120 0.11 480.6825562 0.47 486.7116089 0.09 489.3649292 0.41 490.3632202 0.21 492.0193481 0.04 492.8198853 0.39 502.3395996 0.17 502.9608154 0.26 504.5333862 0.04 506.8965454 0.46 508.7272339 0.54 510.1625977 0.57 512.7371216 0.26 513.9125977 0.28 515.8225708 0.36 516.6655884 0.53 518.0979614 0.37 519.1354980 0.21 520.9226685 3.81 521.5656128 2.99 522.3262329 0.94 526.9260254 1.57 527.7536011 0.64 529.5845337 1.73 531.6392822 1.16 534.0452881 9.51 534.9989014 1.02 535.9630737 0.15 536.7228394 0.17 538.3835449 100.00 539.4967041 0.75 540.6174927 0.71 543.5081177 0.26 544.6885986 0.82 545.3052979 0.52 547.7388306 1.53 548.5986328 0.35 549.3772583 0.35 550.7998657 0.42 551.6217041 2.27 552.2661743 0.38 554.4451294 0.52 555.4633789 1.59 556.4703979 1.65 557.2617188 0.57 558.1464233 3.23 558.8330688 2.38 560.1849365 1.71 560.9115601 0.36 568.4255981 0.44 571.0336304 0.12 579.1794434 0.03 583.5386353 0.21 584.7510376 0.17 586.0131226 0.48 590.7333984 0.14 609.4425049 0.35 612.3507690 0.27 615.0175781 0.22 618.3230591 0.25 619.4970093 0.07 623.7369995 0.16 624.9701538 0.02 626.3147583 0.85 627.8149414 0.13 629.0613403 0.42 630.6009521 0.55 631.3611450 0.09 632.3992310 0.43 635.3721924 1.67 636.4434204 0.14 639.4837036 0.28 641.1757812 0.21 642.0392456 0.14 642.7919922 0.41 647.2266846 0.65 649.0944824 0.87 650.5208740 1.48 651.9530029 0.49 654.8031616 0.12 656.1107788 2.10 656.8331299 0.32 658.4866943 1.65 659.7073975 0.03 661.8941040 1.00 662.6151123 0.31 663.8252563 2.43 664.8865356 1.11 665.9598999 0.58 666.8030396 0.16 667.8504028 3.14 668.5946655 0.32 669.6288452 0.03 670.3577271 0.07 671.6599731 0.14 672.6956177 3.34 673.3463135 4.70 674.2573853 0.99 675.4739990 0.47 676.1924438 0.21 678.5671997 0.64 679.4180298 1.05 680.3682251 0.52 681.5938721 0.44 682.8775635 0.86 683.6242676 0.55 684.4874878 0.82 685.8145752 0.49 688.2112427 2.01 688.8737183 1.86 689.5562134 1.32 691.2747803 0.40 692.8623047 0.55 694.1892700 4.09 694.9193115 3.08 695.9771118 1.72 696.6278687 1.35 698.0507202 0.39 698.8179932 0.03 699.7405396 0.78 700.5617065 0.80 701.6571655 3.67 702.6828613 2.29 703.5619507 0.24 704.5353394 0.44 705.4629517 4.23 706.0756226 2.05 707.1553955 0.72 708.4707642 0.71 709.1093140 0.12 711.4708252 14.71 712.7625122 0.95 715.5690308 0.08 716.4801636 1.17 717.4548950 6.39 718.7727661 0.67 719.7927246 0.23 720.6063843 1.66 721.3341675 0.74 723.3656006 2.30 724.2300415 0.15 724.8328857 0.04 725.8176880 0.49 726.6746216 0.38 727.7765503 0.12 733.9744263 0.14 735.9802856 0.56 737.8706055 0.34 738.5743408 0.16 739.3809204 0.07 740.9682007 0.19 745.0645142 0.18 746.3967896 0.39 747.5932617 0.64 749.7059937 0.20 753.7933350 0.09 754.9898682 0.23 755.6743164 0.28 756.7685547 0.13 759.8097534 0.08 762.5927124 0.13 765.0429077 0.23 766.9990845 0.28 771.0153198 0.36 771.9760132 0.10 772.9986572 0.13 774.5251465 0.23 777.3563232 0.20 784.1273193 0.14 786.6387329 0.13 788.3865356 0.21 790.4725952 0.42 796.0580444 0.10 796.9839478 0.20 805.7101440 0.17 807.8962402 0.23 809.1936646 0.11 813.8313599 0.07 816.2792358 0.20 817.3564453 0.08 819.5289917 0.10 828.9870605 0.16 829.7104492 0.32 835.7407227 0.06 837.9223022 0.44 842.2045898 0.17 843.2421265 0.21 851.5667114 0.24 853.9649048 0.12 858.9740601 0.04 861.8975220 0.07 863.8822632 0.04 872.4719238 0.40 874.5666504 0.09 875.9598999 0.19 884.8432007 0.18 886.8038940 0.12 887.9409790 0.17 893.5344238 0.26 895.8930054 0.19 896.7169800 0.12 897.8161621 0.07 900.6355591 0.28 902.7053223 0.19 908.0891724 0.16 910.2165527 0.33 914.4166870 0.05 915.6557007 0.10 916.5585327 0.06 917.9839478 0.27 920.7211304 0.36 923.6099243 0.11 924.9937134 0.26 928.2600708 0.14 928.8659668 0.09 931.0825195 0.69 933.1484375 0.08 936.0886841 0.17 938.9061890 0.13 942.3371582 0.25 943.5576172 0.14 944.7800903 0.89 945.5551758 0.73 947.0316772 0.27 948.6645508 0.14 949.3831177 0.17 952.7489624 0.23 955.3972778 0.09 957.9638062 0.52 959.8612671 0.35 964.3026733 0.07 967.0748901 0.22 968.2565918 0.16 969.3373413 0.28 972.1874390 0.09 973.7556763 0.25 976.9416504 0.04 978.3517456 0.13 982.0974731 0.27 984.1084595 0.43 985.1107788 0.04 987.3422241 0.23 990.0121460 0.11 993.9431763 0.36 998.9006958 0.20 1001.0518190 0.55 1001.9502560 0.07 1003.3753050 0.11 1009.8607790 0.37 1012.0679320 0.25 1024.7442630 0.15 1026.3964840 0.25 1029.6423340 0.07 1030.7852780 0.03 1073.8762210 0.06 1095.3920900 0.11 1120.5715330 0.08 1153.7277830 0.22 1206.4588620 0.02 1236.4807130 0.05 1409.0014650 0.28 1411.7266850 0.04 1429.5155030 0.06 1444.2890620 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 399.5354 Annotation Unknow Peak:m/z Relative Intensity 119.0262299 0.30 122.9766388 0.11 128.9682922 0.07 132.9817200 0.05 136.0413971 4.64 137.1443481 0.22 138.3433838 0.01 146.9415588 0.47 161.3744812 0.05 162.9351807 0.05 164.9229431 2.36 165.9485016 0.13 171.0298767 0.03 173.1708679 0.02 182.0769653 17.24 183.0209351 0.61 183.8620605 0.03 185.2636108 0.06 187.5525208 0.08 188.5170593 0.06 204.8531036 0.19 212.3184814 0.02 217.0963135 0.29 220.6296539 0.02 228.0986023 0.04 228.9632568 0.07 234.0581055 0.06 243.2559814 0.04 246.1703186 0.05 265.2788086 0.06 267.1213379 2.86 268.1964722 0.08 269.0886536 0.02 278.7850952 0.03 283.1597900 0.45 284.0522156 0.12 285.9496460 0.02 291.8238831 0.08 303.8563843 0.03 313.2893066 0.04 324.1134949 0.67 333.1312866 0.93 337.3128052 0.06 339.3098145 0.40 341.7778625 0.11 346.4140930 0.06 353.1600342 0.08 354.4833984 0.03 355.3178711 0.19 366.3676453 0.05 370.1284485 0.04 372.5201111 0.99 373.6930237 0.18 378.3387451 16.50 379.4241028 0.42 380.5633240 0.09 381.5268555 1.90 382.2481384 0.75 383.5752258 0.46 384.2687073 0.08 387.6767273 23.07 388.5516968 1.00 389.3881531 0.04 391.1051636 0.36 391.8417664 0.06 392.6402893 0.05 409.4020081 0.10 417.3711243 0.11 421.4956665 0.07 423.4720154 0.10 427.4502258 0.05 428.5776672 0.07 431.1023254 0.02 433.5840149 0.08 434.4239197 0.15 439.3620911 0.05 448.9517517 2.94 450.1229553 0.25 450.7691040 0.07 451.7545471 0.04 458.3766174 0.12 467.4375305 0.02 477.2222595 0.47 478.5669250 0.15 485.3398743 0.80 486.0321350 0.16 487.5588074 0.02 488.3869934 0.16 490.5029602 18.04 491.4267273 1.02 492.1882935 0.04 493.2365417 0.12 495.8290710 0.11 499.5039368 100.00 500.4506226 3.16 501.3197632 0.34 502.5545349 0.14 503.2227478 0.29 506.5549927 0.01 508.3479309 0.69 509.1922302 0.20 520.2473755 0.11 531.4623413 0.06 534.9407349 0.04 535.6575928 0.07 548.5512085 0.17 549.1778564 0.09 554.6530151 0.02 561.9754639 0.09 565.3817749 0.04 570.3354492 0.20 583.0576172 0.20 593.6080933 0.01 602.3947754 0.04 628.1743774 0.04 632.4857788 0.09 637.7189331 0.04 651.1694946 0.06 652.2442017 0.10 658.3815918 0.04 665.1668091 0.05 676.5902100 0.02 679.6761475 0.03 686.6118774 0.05 689.2761841 0.03 714.3280640 0.02 733.7360229 0.08 750.4216919 0.02 759.3873901 0.07 760.2792358 0.01 778.6499023 0.03 789.5089722 0.04 816.5578003 0.10 817.2756348 0.08 831.9568481 0.07 835.7630005 0.02 846.4428101 0.03 880.2780151 0.03 896.9008179 0.02 952.9138794 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 205.0966 Annotation Ethotoin Peak:m/z Relative Intensity 109.0133362 0.01 126.9295044 0.05 145.1680145 0.01 149.0118713 0.01 156.9821014 0.03 159.1150970 0.10 163.0680542 0.02 168.8944550 0.07 173.0925751 0.03 176.9729462 0.01 188.0341644 100.00 188.8602753 0.00 196.5231476 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 246.1232 Annotation 4-Acetamidoantipyrin Peak:m/z Relative Intensity 72.13355255 1.65 83.91357422 4.30 95.00315857 2.83 95.96170044 1.68 101.8314209 2.13 103.0820465 2.25 103.9901428 1.35 107.0568085 0.91 109.5607605 0.61 113.1904755 6.13 113.912262 10.68 115.9651031 1.71 117.8494568 6.40 120.2883453 1.39 122.0028229 1.36 122.9664001 0.83 124.2203369 2.10 126.0215759 6.03 126.8425293 2.73 129.1029358 2.29 129.9260406 4.68 130.9707031 1.36 133.8807373 1.82 137.8180084 2.66 141.8845673 3.70 145.1083221 5.38 146.980896 2.95 149.8964996 17.92 150.9402466 1.88 156.0442505 8.27 158.1584778 2.54 159.2891235 1.09 163.9557648 2.21 167.7510529 12.71 168.9823608 0.90 169.9645081 9.64 170.9148407 0.83 171.7507172 1.49 173.2961426 0.83 174.0487823 7.31 176.2929993 3.07 177.1793365 10.02 180.200119 1.68 182.1473541 2.48 183.7500763 0.95 186.0736084 26.13 187.1146393 9.83 188.0484772 4.90 189.1093597 2.10 190.2373199 5.20 192.2310944 2.81 195.2673492 3.13 197.0360565 3.55 198.3903351 5.80 199.0506134 2.81 200.2255707 22.05 201.1765137 13.27 202.03302 8.67 203.0897675 6.40 204.315155 19.92 205.0174408 56.80 205.9534149 0.93 209.9076996 10.88 211.3080597 3.71 216.042984 5.74 218.2180786 52.70 219.3372803 2.54 222.7818146 6.81 225.0584412 1.50 225.851944 7.33 228.1063385 100.00 229.0982208 9.41 229.8529816 8.56 230.8999481 2.18 237.4690399 4.94 238.1548615 4.23 240.6893311 12.87 246.1707916 1.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 794.61 Annotation Unknow Peak:m/z Relative Intensity 290.8276367 3.57 291.6690674 0.11 374.5712891 1.33 458.5461426 16.39 459.2609863 0.09 542.0406494 7.52 542.6505127 85.95 580.5846558 0.06 586.2565308 0.04 626.3327637 55.76 627.0884399 0.10 628.7017212 0.30 632.7828979 0.11 634.3074951 0.14 658.0653687 0.15 688.4481201 0.58 700.5514526 0.16 707.8088989 0.15 710.3142090 100.00 711.0509644 0.46 731.9432373 0.16 748.0513916 0.50 748.8456421 0.89 749.5043335 0.12 750.2422485 0.10 766.6641235 0.03 770.0820923 0.03 776.6986694 0.11 793.9097290 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 454.1638 Annotation Unknow Peak:m/z Relative Intensity 130.1574860 0.08 132.9495697 7.13 144.0191040 2.10 176.0356140 4.83 190.7837524 0.13 193.0519104 42.28 201.1573334 0.10 205.0154266 0.31 207.9754181 0.17 211.7296143 0.43 213.0258789 0.56 213.7639618 0.11 215.3743286 0.07 230.0888519 0.11 233.0510712 1.57 238.0903015 0.28 253.3266907 0.12 262.3441467 0.23 266.3896179 0.10 267.3489380 0.20 285.9921875 0.46 290.2191467 0.07 292.2827148 0.07 295.3522339 0.19 299.0861206 0.10 309.3241882 0.41 313.4085083 0.32 322.1806335 100.00 325.0283203 28.58 347.4668579 0.09 355.4867249 0.42 365.1284180 1.93 366.9819336 0.16 368.3328247 0.32 370.2039795 0.17 392.9504700 0.42 399.8892517 0.24 408.2490540 0.32 411.1081238 0.08 413.2070007 0.30 418.5611877 0.26 422.1493835 0.15 425.2888489 0.08 427.3432922 0.26 435.3399658 3.12 436.2247009 2.85 437.1895752 0.18 445.0493469 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 385.0775 Annotation 2-Caffeoylisocitrate Peak:m/z Relative Intensity 111.1076584 0.17 115.0361023 0.11 121.7871857 0.25 129.0521851 2.55 145.1477509 0.18 146.8714142 1.15 172.9877930 1.60 180.1998138 0.39 191.0597229 100.00 192.9797211 0.32 197.1955414 0.77 209.0500488 9.57 222.9285889 0.86 242.2195129 0.15 247.0317383 0.06 265.2084045 0.47 267.9583740 0.46 269.1000977 0.14 282.9271851 0.19 324.1871338 0.29 337.3021851 0.23 338.3813171 0.09 339.3822632 0.41 342.5075684 0.23 349.1882019 0.11 362.5613708 0.11 367.0686340 8.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 865.4559 Annotation Malonylsaikosaponin A Peak:m/z Relative Intensity 361.2267456 0.14 435.1975708 0.12 485.6209106 0.09 487.5232544 1.01 526.5231323 0.16 549.4697876 0.10 557.3770752 0.05 585.9526367 0.04 591.3438721 0.16 601.4989624 0.88 602.4645996 0.04 603.2221069 0.16 604.3826294 0.08 605.1648560 0.17 619.4461060 0.84 633.3840942 0.06 641.3170776 0.30 643.3885498 0.08 646.4386597 0.27 647.3223267 0.11 655.5205078 0.09 661.4841919 0.33 683.2434082 0.03 685.4690552 0.22 687.6516724 0.07 688.4020386 0.07 689.3012085 0.11 693.4730225 0.18 699.6972656 0.09 715.4992065 0.27 719.5167847 0.49 727.5140381 1.64 745.5502930 3.97 761.1018677 0.15 762.3972778 0.27 763.5932007 13.66 769.5019531 0.22 781.2537842 1.07 781.8573608 0.49 803.2542725 0.06 805.4854126 74.12 820.4696045 0.34 823.5170288 100.00 846.6187134 0.53 847.4066772 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1427.631 Annotation Unknow Peak:m/z Relative Intensity 409.8498535 0.09 425.6248779 0.04 437.0312500 0.05 443.4438782 0.08 453.0486145 0.04 467.1859436 1.28 468.4040527 0.10 471.2332764 2.13 485.3599548 0.12 487.3990479 1.58 488.9310913 0.11 501.4492188 0.07 529.3000488 0.19 545.4398193 0.90 546.2933350 0.14 555.6670532 0.08 560.0013428 0.03 599.5518799 0.34 623.5941162 0.09 649.5885620 0.04 686.5893555 0.05 691.3311768 0.12 732.8993530 0.08 761.0739746 0.25 797.7205200 0.15 811.3720703 0.06 835.3962402 0.08 853.6451416 0.17 923.4302979 0.07 941.4731445 2.67 955.2213135 0.18 959.3902588 100.00 960.5378418 9.15 977.1447754 0.07 1001.5452880 1.22 1002.7138670 0.08 1013.4898680 0.26 1041.5229490 0.53 1042.1330570 0.05 1043.4394530 0.04 1068.5590820 0.20 1103.3498540 0.19 1104.2229000 0.09 1283.6071780 0.40 1284.4821780 0.27 1339.3347170 0.09 1361.6580810 0.31 1409.5874020 0.32 1410.3995360 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 730.4471 Annotation Unknow Peak:m/z Relative Intensity 211.8991852 0.09 254.0903015 0.76 279.5618286 0.11 282.1462097 4.51 299.2313232 0.30 308.2020264 0.22 311.2172546 0.40 312.3162842 0.41 325.3258667 0.65 328.8997192 0.10 339.3090820 2.31 353.2957153 3.30 354.3442993 0.07 355.2254028 0.30 362.1523438 0.12 372.7431030 0.17 381.2266235 6.41 392.0207520 0.23 392.6484375 0.21 407.3078613 0.92 421.5238037 0.25 424.3762207 1.87 438.2178345 0.59 442.0399780 0.21 442.6868896 0.05 443.4343262 0.23 448.4960327 0.15 449.6215820 0.08 452.3093872 40.12 499.2205811 0.26 506.2847900 0.99 508.5251465 0.09 513.4167480 0.13 519.4995728 0.52 523.3170166 5.01 528.3572998 0.31 533.6074219 0.16 542.1146851 0.04 543.1336060 0.07 546.1428223 0.12 551.3466187 100.00 552.0075684 0.30 560.3803101 51.12 565.3029175 0.05 581.8125610 0.81 584.6183472 0.18 591.4434204 0.17 596.3206177 0.49 597.1541138 0.06 599.4474487 0.94 601.3756714 0.18 610.4010010 0.06 627.2616577 0.08 629.1333618 0.11 630.9765015 0.08 643.6183472 0.05 654.2723999 0.09 656.8144531 0.32 659.4996948 0.37 671.4250488 0.10 672.6633301 0.35 680.2557983 0.10 684.6879883 0.34 693.0966797 0.34 698.3784790 4.19 699.0099487 0.04 704.3352661 0.09 711.4562988 1.10 712.2980347 0.35 721.6428833 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 496.2431 Annotation Spirotryprostatin C Peak:m/z Relative Intensity 144.9070282 0.05 152.0111847 0.03 154.8880310 0.06 169.0999603 0.03 177.1336365 0.47 177.8974915 0.06 179.3159790 0.02 182.9382629 0.02 186.9806671 0.06 200.1557312 0.02 200.9934387 0.43 203.0154572 0.02 204.8614502 0.02 213.2415466 0.02 215.8960266 0.06 225.9924927 0.01 232.8418274 0.04 234.2118530 0.53 235.2656555 0.08 243.1056213 0.03 256.0435486 0.10 257.0332336 0.08 261.2660217 0.03 265.2988892 0.09 268.0591125 0.05 276.1967163 0.03 279.9953003 0.06 281.9635925 0.05 283.4568176 0.24 284.2062683 0.20 286.3312988 0.03 291.1343994 0.02 296.1657410 0.01 298.2847290 0.32 300.1808167 0.14 301.1793823 0.20 305.3305054 0.05 306.2216187 0.02 308.1769104 0.04 310.3292847 0.03 312.2664795 0.02 315.1392822 0.02 316.1258545 0.13 320.0458374 0.04 323.3745117 0.09 325.5274048 0.04 327.1743774 0.14 329.0200195 0.03 332.2301025 0.05 333.4367065 0.04 335.3731995 0.02 342.4168701 0.02 343.4633484 0.07 345.9889832 0.01 349.3053284 0.04 351.1589966 0.19 355.2155151 0.18 355.8619995 0.01 358.3069763 0.17 359.1659546 0.07 360.1441956 0.02 363.5036011 0.03 364.3826599 0.04 365.0718994 0.03 367.2564697 0.01 372.4235840 0.09 376.3760681 0.07 377.5346069 0.02 379.2880249 0.07 380.1509094 0.02 381.3835144 0.26 386.7050476 0.09 392.2298889 0.07 394.2706604 0.04 396.3535461 0.08 397.4746704 0.08 404.1687622 0.01 407.2161255 0.95 408.2525940 2.88 409.1098938 0.07 410.2941895 0.05 411.7978821 0.08 421.0204468 0.25 422.2048035 1.56 423.3191833 0.24 425.2462769 100.00 426.2978516 6.95 427.3214417 0.10 428.4832764 0.06 431.4043884 0.19 432.5718689 0.02 434.4354553 0.02 435.5402527 0.06 436.3119507 0.13 436.9336853 0.01 438.1344910 0.56 439.2200012 2.97 440.2279663 0.31 445.6336060 0.19 447.4582214 0.02 448.1669617 0.02 449.3763428 0.08 451.3200989 0.30 452.3576660 0.12 460.3132019 0.78 461.3916016 0.06 463.4342957 0.04 465.3434143 0.10 466.6436157 0.10 467.2675171 0.06 468.0894165 0.23 470.5065308 0.03 471.8869324 0.03 477.0716248 0.05 478.6502075 2.36 479.2911072 23.39 480.3528137 2.58 481.2026978 0.13 483.5043030 0.04 487.1720581 0.57 487.9032898 0.52 488.5192261 0.15 495.5626526 0.05 502.1733704 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 659.2889 Annotation Unknow Peak:m/z Relative Intensity 195.7139282 0.09 196.4114380 0.05 199.1503601 0.06 208.6970062 0.07 209.3019257 0.08 223.2862701 0.06 227.2617645 0.64 239.8988953 0.37 240.5953369 0.01 250.1493835 0.04 252.3110962 0.05 253.2091522 0.10 257.1440430 0.10 258.2008057 0.23 259.3243103 0.07 268.2622070 0.04 269.3374329 0.05 270.2053833 0.25 277.3522339 0.12 284.4613037 0.03 287.1974792 0.33 288.2150269 0.05 297.3323364 0.05 298.3158569 0.16 303.3544922 0.02 306.2925720 0.05 309.2575073 0.10 317.3809814 0.03 323.2784119 0.07 330.3775635 0.03 338.5383301 0.10 344.5455322 0.05 350.3460083 0.10 353.3585815 0.02 355.3843384 0.02 362.9428711 0.02 366.3480835 0.01 367.2203979 0.11 368.4264526 0.02 370.2633667 40.27 371.3130493 0.03 376.1992188 0.02 379.6943359 0.04 380.4035034 0.06 383.3140869 0.06 384.4710083 0.03 385.3655396 0.06 387.0263672 0.01 388.2527466 1.27 394.2797852 0.05 395.2215576 0.09 397.5641479 0.05 399.2845459 0.18 403.3104248 0.03 406.5321045 0.04 413.8185425 0.36 414.5425415 0.10 417.1647949 0.23 418.1380615 0.03 419.0542603 0.04 423.0068359 0.02 424.3668823 0.50 427.4396973 0.06 430.2342529 0.20 431.2777100 0.05 436.1412964 0.60 439.1961060 0.02 440.2509766 0.10 441.3495483 1.15 449.4513550 0.03 451.3620605 0.06 454.3171387 1.83 457.2941284 0.20 459.2830200 2.67 462.8056030 0.04 466.2633667 0.01 468.3151855 0.76 469.3132935 0.02 470.2039185 0.03 471.1903687 0.12 472.5997314 0.08 479.2590942 0.13 480.3126831 1.21 485.5472412 0.09 494.0984497 0.08 495.3750610 0.03 496.3007812 0.27 498.3471680 5.90 499.7302246 0.02 501.5269165 0.34 510.3800659 0.32 511.3168335 0.18 512.3170776 0.70 514.4783325 0.22 516.5528564 0.18 522.8421021 0.02 524.7327271 0.13 528.3110962 26.30 528.9397583 0.14 529.8619995 0.13 530.5291138 0.12 542.1586914 0.01 546.4304810 1.71 547.3254395 0.06 552.3351440 0.06 553.3349609 0.06 555.3394775 0.63 559.5714722 0.04 560.6782837 0.17 570.4957886 0.91 578.7890015 0.08 579.5066528 0.07 580.6486206 0.02 581.6234741 0.11 582.4558716 0.74 583.4644165 0.04 584.5723877 0.07 585.6290894 0.10 587.6257324 0.06 597.3801880 0.54 598.0332642 0.03 599.3768921 1.14 611.3758545 1.38 613.0578613 0.05 615.4418945 1.24 617.3256226 0.71 623.3973999 1.19 624.5310669 0.05 627.4119873 1.26 629.4004517 100.00 630.1482544 0.63 641.3377075 92.70 641.9779663 0.20 642.6062622 0.35 643.5639648 0.40 649.9563599 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.301 Annotation Unknow Peak:m/z Relative Intensity 220.8358459 0.06 277.3499146 0.10 307.8524170 0.10 397.2495728 0.30 403.5725708 0.13 417.3880005 0.12 425.0223389 0.32 449.3828125 0.16 459.7073975 0.14 467.2227783 3.55 468.2196045 0.30 508.3950806 0.18 532.7697144 0.07 533.4414062 0.13 545.8807373 0.15 599.5936890 0.24 600.5074463 0.22 611.2954712 0.19 623.3227539 0.22 627.3571167 0.26 632.1862183 0.57 635.3710327 0.15 647.2073364 0.06 648.9568481 0.06 651.1472778 0.15 660.2994995 0.21 673.3693237 100.00 674.6023560 0.76 675.5830688 0.46 676.5576782 0.69 678.0736084 0.16 680.3139038 0.20 819.6607056 1.44 820.8910522 0.22 837.4394531 0.49 861.3903198 0.36 879.4492188 10.06 880.3954468 1.35 945.7348633 0.12 1023.4562990 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 426.29 Annotation Prostaglandin E2 serinol amide Peak:m/z Relative Intensity 133.1973267 8.01 134.9769745 5.41 139.1573181 2.46 143.1581421 2.04 156.8934937 15.00 163.1369781 8.77 173.04953 3.76 188.1591949 4.48 189.1293945 3.33 193.0725403 8.75 196.9203339 7.26 198.4424744 6.31 203.1187897 5.78 204.7601624 3.16 228.0724182 4.70 229.1155396 16.33 241.1760254 6.55 254.2380066 6.02 263.3925781 4.94 283.0606689 6.98 286.0802002 19.51 293.1014404 4.74 297.3117676 6.08 299.1481934 8.78 304.1182251 2.26 316.1876526 9.66 319.3394775 14.86 324.3804932 8.71 332.5754395 2.04 335.8583679 4.29 336.6021729 17.12 337.2583923 13.44 339.3540955 31.16 342.2423401 2.70 344.5489807 3.53 354.3670044 9.22 366.1752014 4.69 373.4764709 6.13 380.3175049 29.29 385.0611267 3.39 391.1145325 29.21 408.2826233 100.00 409.223053 22.97 427.0226746 14.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 470.1586 Annotation Unknow Peak:m/z Relative Intensity 161.8168640 1.10 162.9984131 3.46 165.0274200 0.08 168.9974518 0.04 173.2120209 0.04 179.0123444 3.86 186.9983521 0.11 210.9039459 0.23 216.0951538 0.10 219.1474915 0.15 228.9022675 0.13 231.3312683 0.15 233.0882111 0.52 237.0664825 0.04 237.9573364 0.20 243.8335266 0.11 258.2285156 0.31 272.1211853 0.18 274.2246094 0.08 278.3353882 0.34 282.4519043 0.28 286.2230835 0.21 290.1546631 0.26 291.3380127 0.04 300.3775024 0.20 308.0646667 100.00 308.7026062 0.31 321.5834961 0.04 324.3834839 0.19 336.1309814 0.06 338.2200623 0.10 339.4135132 0.27 340.0525513 0.27 341.0543518 0.92 353.5333557 0.23 357.2855225 0.12 359.2449646 0.18 362.1681519 0.19 363.2248840 0.06 365.3269348 0.38 367.5653076 0.42 372.1990051 0.16 381.2337341 0.57 386.1637573 0.43 386.7947693 0.13 395.4577332 0.43 397.2290955 0.18 399.1805725 0.10 409.7036438 0.12 410.4205322 0.09 411.8813782 0.25 414.3024292 0.23 420.8761902 0.60 431.4672241 0.60 434.2093201 0.37 441.5168762 0.07 442.4206848 0.06 452.1157837 0.59 453.2614441 0.82 455.2525635 0.77 458.2127991 0.19 460.3306580 0.46 460.9537964 0.27 461.7505188 0.41 470.2162781 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 668.2972 Annotation Unknow Peak:m/z Relative Intensity 242.1689301 0.06 257.3239746 0.08 263.2885742 0.05 273.1879883 0.29 310.1699219 0.10 311.2332153 0.15 323.3314209 0.41 355.8095703 0.05 360.0789795 0.21 365.1603394 0.18 366.2465210 0.22 384.1529541 0.30 395.2827759 0.25 395.9962158 0.07 407.0824585 0.26 409.2181396 0.05 425.2434082 1.57 426.1472778 0.07 431.3179932 0.09 445.8268433 0.10 467.2612915 23.49 468.1469116 0.32 479.0706177 0.15 480.5269775 0.09 485.4572754 0.19 493.1275024 0.08 509.1820068 0.13 521.4672241 0.19 530.5963745 0.08 547.4279175 0.10 553.1696167 0.24 564.2051392 0.25 573.0909424 0.14 578.2730103 0.38 580.0110474 0.29 585.3880005 0.08 587.2887573 0.17 588.4312744 0.49 591.2946167 0.41 600.1593628 1.00 604.2901001 0.14 607.5868530 0.26 615.3258667 2.45 616.2177124 0.08 622.3078003 0.61 624.3612671 1.69 625.2935181 0.26 630.2861328 0.23 632.1019897 1.48 632.9712524 0.32 634.4442749 0.07 635.9766235 0.69 637.3671875 0.59 638.1972656 0.37 639.5936890 0.29 645.3298340 100.00 646.5769653 2.56 647.8428345 0.68 650.4976196 0.46 651.3065796 0.38 652.0846558 0.14 653.4568481 0.12 655.5431519 0.09 661.4125977 0.09 745.4411011 0.63 763.5635986 5.51 764.6842651 0.25 781.4484863 3.25 782.6135254 0.45 795.6931152 0.13 796.8007812 0.41 797.8821411 0.10 805.4854126 2.04 806.7024536 0.10 823.4830322 43.31 824.5153809 5.13 825.1855469 0.15 865.5115356 0.62 907.8510742 0.13 985.0317383 0.40 1087.6507570 0.51 1147.7583010 0.37 1171.6293950 0.13 1231.6802980 1.89 1232.5670170 0.52 1291.4739990 39.40 1292.4639890 6.46 1293.1800540 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1023.2949 Annotation Unknow Peak:m/z Relative Intensity 496.3736267 0.20 513.0600586 0.30 533.4228516 0.14 560.1838379 0.04 584.4486694 0.48 585.7142334 0.05 601.2272949 0.13 602.0793457 0.12 611.2017822 0.06 633.0583496 0.22 668.3137207 0.17 681.3416748 0.08 685.1392822 0.11 686.1006470 1.03 717.2312012 0.10 759.1000977 0.21 759.8308716 0.05 763.4767456 0.14 777.2437744 0.07 778.3121338 0.55 783.2260742 0.12 787.2373047 0.05 802.5798340 0.31 817.0338135 0.06 819.2230225 3.08 820.3118896 1.73 821.6290283 0.10 843.4113770 0.04 847.0006104 0.09 861.2690430 100.00 862.2427979 58.85 862.9394531 0.36 866.0355225 0.07 876.1302490 0.10 903.2342529 1.91 904.2924805 2.55 945.7330322 0.29 946.5190430 0.06 963.2785645 0.33 981.2597656 0.88 982.0916748 0.73 1006.6922610 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 647.1819 Annotation Unknow Peak:m/z Relative Intensity 199.0645142 0.04 209.0286407 0.22 211.3242950 0.12 221.0799561 0.18 245.1560211 0.37 254.1437225 0.07 264.9904480 0.06 273.2152100 0.13 291.2990112 0.36 296.1956177 0.05 299.1219482 0.54 302.3668213 0.06 305.2084961 0.10 308.0679321 0.08 317.0749512 2.43 321.1030273 0.06 326.9535522 0.13 334.9173584 0.36 341.5101929 0.07 347.4779053 0.04 365.2869263 0.05 382.3823853 0.17 395.1430054 1.14 398.4467163 0.12 399.3303223 0.13 409.2164307 0.12 411.2506714 0.33 421.1906128 0.03 423.2776489 0.60 425.3517456 0.09 428.1014404 0.68 429.2783203 0.18 433.3821411 0.06 449.1828613 100.00 452.9857178 0.05 464.3922119 0.10 467.1127930 6.36 473.1326294 0.04 480.3278809 0.10 483.2855835 0.23 484.1158447 0.17 485.1312256 0.18 497.0357666 0.13 513.0615845 0.07 515.3321533 0.15 517.7991333 0.18 518.4588013 0.05 525.2158203 0.13 526.2542114 0.05 528.4032593 0.17 541.2205200 0.06 556.2880859 0.26 557.1490479 0.57 559.5875244 0.03 566.3527222 0.05 582.9356079 0.08 584.2823486 0.23 587.3151855 1.28 590.3519287 0.05 600.8403320 0.03 602.8837280 0.21 603.6313477 0.24 604.7600708 0.06 611.3743286 0.17 613.7039795 0.03 628.2570801 0.57 629.5580444 0.30 631.4982300 0.19 637.6926880 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 594.0828 Annotation Unknow Peak:m/z Relative Intensity 172.9481354 0.17 174.7948608 0.02 176.9776306 0.12 178.2099915 0.02 181.0318756 0.02 189.0208588 0.15 190.9762726 0.33 192.9818726 0.91 196.7461700 0.03 207.0870209 0.09 216.2010498 0.02 217.2725830 0.03 218.9787903 0.29 235.1471252 0.28 236.9438477 0.24 255.8921814 0.02 256.9268799 0.32 280.1385498 0.08 289.1365967 0.03 298.0623169 0.13 311.6149292 0.12 319.3576660 0.02 323.1945190 0.02 326.9579468 0.04 331.4119263 0.05 335.1263428 0.01 353.0734863 0.01 354.1937866 0.04 371.2481689 0.11 378.7129517 0.15 379.3607178 0.05 380.2696533 0.02 389.1520386 0.05 397.0802612 0.24 400.0198364 0.05 409.4926147 0.12 415.0863037 100.00 416.1367798 0.52 419.0891724 0.06 423.8660278 0.01 426.1362915 0.32 432.9960938 0.52 439.0273438 0.02 447.9735718 0.03 456.0771484 0.04 458.6513672 0.02 459.3478394 0.02 465.2361450 0.03 473.2361450 0.04 477.3638306 0.04 504.2991943 0.01 508.0370483 0.11 509.9163818 0.48 540.2555542 0.03 546.9880371 0.03 547.9286499 0.61 549.4191895 0.10 550.3015137 0.10 553.0372925 0.07 563.7247925 0.04 564.5241699 0.02 570.8287964 0.03 576.2224731 7.66 577.1334839 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 193.0856 Annotation cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene Peak:m/z Relative Intensity 96.9524994 0.01 105.0733185 0.08 108.8846893 0.01 114.9804077 0.04 116.9628906 0.01 118.7807007 0.03 121.1219482 0.01 133.0103607 0.85 135.0091400 0.01 137.0921936 0.06 143.1224670 0.01 146.8709717 0.04 148.0317383 0.02 149.1934052 0.03 150.9152069 0.02 151.8204346 0.02 160.9654999 100.00 161.8453369 0.03 163.1365662 0.04 165.0162811 0.08 174.0784149 0.03 175.0612030 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 549.17 Annotation Unknow Peak:m/z Relative Intensity 206.1285706 0.04 207.1648102 0.04 322.9495850 0.07 340.9174194 0.05 368.0480957 0.03 413.1313477 0.06 503.2325439 100.00 503.8463745 0.27 518.7077637 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1265.5834 Annotation Platycodin A Peak:m/z Relative Intensity 427.5576477 0.02 439.4560852 0.02 459.4505920 0.03 467.1231384 0.41 468.4597168 0.05 469.3903809 0.02 485.2616577 0.49 503.2652893 0.17 527.4281006 0.12 555.7381592 0.09 582.5240479 0.09 617.7348633 0.03 628.1207275 0.04 634.3673096 0.09 635.5614014 2.82 647.5424805 0.03 661.3614502 0.05 677.5762329 0.05 735.4139404 0.03 753.5056763 0.02 779.4621582 1.10 795.5262451 2.48 796.7525024 10.69 797.4841919 100.00 798.1342773 0.93 811.4191895 0.06 839.3790894 1.08 869.7322998 0.07 879.5775146 0.43 890.6807861 0.07 923.7340088 0.12 941.5513916 0.07 946.2584229 0.02 958.4201660 0.07 984.5113525 0.03 989.0511475 0.05 1030.8613280 0.06 1055.4624020 0.07 1072.8608400 0.02 1106.4921880 0.07 1116.0761720 0.03 1121.2863770 0.49 1145.3981930 0.03 1149.3809810 0.05 1163.2258300 0.04 1177.5562740 0.07 1191.2828370 0.12 1203.1081540 0.14 1211.7355960 0.19 1220.6752930 0.31 1221.6389160 0.32 1228.0728760 0.20 1229.5467530 0.07 1235.2382810 0.32 1242.6994630 0.32 1243.6802980 0.05 1246.3737790 0.20 1247.4053960 0.54 1248.7651370 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 401.1086 Annotation Caffeic acid 4-O-glucuronide Peak:m/z Relative Intensity 114.1791000 0.03 119.9640656 0.05 127.0012054 0.03 131.0384827 0.03 133.2119598 0.03 138.8135834 0.04 145.1612549 0.07 148.6344910 0.08 151.0809937 2.27 156.9670868 0.26 169.1288452 0.08 172.2622070 0.03 173.0685425 0.04 174.9495850 0.52 177.1006775 0.01 178.0071106 0.01 178.9839935 0.05 187.0796509 0.16 190.3767700 0.02 196.1364441 0.04 205.0765686 0.22 207.1643066 0.04 221.0813599 0.17 223.1356812 0.11 225.0690308 0.15 231.0621948 0.81 239.1246338 0.21 249.1350403 20.79 250.0866089 0.04 253.1442261 0.06 263.1130371 0.07 265.2636414 0.02 267.1029968 100.00 272.0427551 0.02 275.4192200 0.16 277.2098389 0.10 279.1837769 0.12 283.4113159 0.01 284.7579651 0.02 308.2785645 0.06 309.3423462 0.03 310.2658691 0.06 311.2591858 0.02 313.2321472 0.25 314.5513306 0.05 325.5176697 0.04 339.1502686 0.30 341.1164551 0.47 345.1001282 0.19 347.2420654 0.02 355.1657104 0.65 356.3349915 0.06 357.3388672 0.23 363.3763123 0.03 364.4528503 0.22 365.3467102 0.02 367.2085876 0.03 368.4317932 0.05 369.1718140 0.06 373.3802185 0.03 383.1648254 5.27 384.3518982 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1263.601 Annotation Lablaboside C Peak:m/z Relative Intensity 365.3109436 0.01 395.1970215 0.05 406.8116455 0.04 421.9354248 0.03 423.1188354 0.03 425.6400146 0.02 427.0760498 0.01 467.2288818 0.44 467.8357849 0.01 469.3703308 0.01 471.4964905 0.05 485.4872131 0.03 507.4441528 0.01 530.3493652 0.04 541.6002197 0.03 615.6572266 0.05 633.5627441 1.79 634.5452881 0.12 647.6687012 0.01 715.7730713 0.02 741.6990967 0.04 777.5956421 1.09 778.7556152 0.08 793.7007446 0.07 795.4987793 100.00 796.5427246 11.15 819.6103516 0.06 836.3386230 0.02 837.4506226 1.35 838.5916138 0.19 877.4555664 0.40 879.0424805 0.06 939.4614258 0.08 968.2464600 0.02 985.6392822 0.03 1057.9407960 0.02 1119.5458980 0.01 1120.8178710 0.05 1148.4803470 0.02 1201.5317380 0.02 1229.7060550 0.03 1232.4750980 0.04 1240.1713870 0.06 1242.0405270 0.04 1245.9843750 0.09 1248.7275390 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 371.0982 Annotation Deacetylasperuloside Peak:m/z Relative Intensity 113.0389938 1.10 117.2213440 0.05 121.0062485 1.98 129.0584564 0.08 131.0565643 0.07 139.1218719 0.02 155.2821350 0.04 156.9738922 0.18 163.0117950 0.15 164.1075134 0.08 175.0455933 0.62 186.0029297 0.14 189.1497803 0.10 191.1655884 0.02 192.9756775 0.05 205.1883545 0.05 227.3500671 0.07 231.1191406 5.00 238.3433838 0.04 242.0933838 0.02 249.0698242 100.00 282.3468628 0.07 311.1370239 0.29 323.2703247 0.07 324.2322388 0.48 325.3365173 0.27 326.2410889 0.06 335.0959167 0.13 342.3620911 0.03 349.2380981 0.19 353.1672668 3.06 356.2124634 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 206.89 Annotation Unknow Peak:m/z Relative Intensity 110.0774078 0.01 114.1003418 0.03 115.0496826 0.01 122.7438354 100.00 123.6210632 0.03 133.0276337 0.06 150.7050171 0.01 158.4788208 0.04 160.8242188 0.03 163.1207428 0.02 177.0137177 0.05 177.7286987 0.01 183.7308502 0.07 187.9441376 0.01 189.0048828 0.07 190.6993408 0.04 198.1297455 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 625.329 Annotation Unknow Peak:m/z Relative Intensity 179.9274902 0.05 197.1617279 0.08 197.9003296 0.03 209.2861938 0.11 225.1463013 0.21 230.8163452 0.06 236.9309387 0.45 240.0748749 0.07 247.8796844 0.05 249.0642700 0.03 258.1546021 0.05 264.9317627 0.02 272.9779053 0.04 274.3109436 0.04 280.1625366 0.04 285.4565735 0.16 288.9558716 0.04 292.2825012 0.38 297.1188965 0.05 306.7062988 0.63 308.3320312 0.26 310.1111145 0.70 312.0065308 0.04 312.9667969 0.12 316.2070312 0.13 318.3438721 0.22 319.5572510 0.04 320.2305298 1.61 324.1545410 0.92 333.2015991 0.08 335.8245239 0.11 338.2070312 20.23 339.2551270 0.17 343.1787109 0.07 347.1456299 0.31 355.0556030 0.04 357.2434082 0.15 359.1527100 0.05 361.1645508 0.22 364.3218994 0.04 370.2536621 0.19 371.2970581 0.16 379.0161133 0.07 380.2378540 0.15 383.4957886 0.20 389.3656616 0.10 391.1572876 0.16 397.5526123 0.04 401.1992798 0.08 409.2003174 5.19 410.5773315 0.29 416.8886108 0.55 417.5978394 0.02 419.2365723 1.60 423.2700195 0.88 424.4519653 0.06 425.3484497 1.17 426.9042358 0.09 428.3728638 0.04 429.2956543 0.12 431.2324219 0.17 433.2136841 0.09 437.2767334 92.94 438.8439331 0.15 443.1394653 0.06 445.9370728 0.02 447.2188721 0.07 451.7160034 0.15 452.5977783 0.07 455.7465820 0.14 459.5783081 0.11 460.2796021 0.16 464.2702637 0.14 465.4871216 0.11 476.8571167 0.09 478.2212524 0.05 479.2330322 0.07 479.8446045 0.03 484.9077148 0.03 486.4364014 0.20 487.5784912 0.03 489.0256958 0.20 490.1947021 0.07 494.2593384 0.04 495.9032593 0.66 496.8297119 0.14 499.1150513 0.14 500.6519775 1.62 501.5066528 0.18 502.1633301 0.05 504.1122437 7.11 505.5928955 0.04 508.3396606 2.73 509.8930664 0.04 511.0010376 0.17 512.3466187 3.31 513.2793579 0.14 516.9193115 0.06 518.3158569 0.54 520.1061401 0.23 523.5256958 0.24 525.5431519 0.04 527.3222046 0.14 532.5181885 0.05 536.2568970 100.00 537.4942627 0.15 540.6542358 0.14 541.7592163 0.23 543.7385864 0.12 546.3056030 0.05 548.1539917 0.13 553.3263550 0.23 557.0086060 0.02 560.1343384 0.30 562.6903687 0.19 565.3140259 0.27 566.7968750 0.94 568.8834839 0.02 569.5119629 0.12 570.5805054 0.13 571.4453125 0.31 572.0983276 0.21 574.6682129 0.05 575.5087280 0.07 577.5099487 0.13 579.8078003 0.15 580.4979858 0.26 581.4600830 0.25 582.2617798 0.05 583.2871704 0.04 584.0278931 0.13 585.2294922 0.05 586.0543213 0.51 587.4967651 0.44 589.4047241 0.15 593.5747070 1.07 595.5662231 0.25 597.1927490 0.16 598.0307007 0.26 599.2551270 0.25 600.7482300 0.74 606.4418335 0.61 607.3858032 3.36 608.2987671 0.15 609.2382202 0.38 612.4484253 0.30 614.0615845 0.38 614.7719116 0.02 616.3214722 1.52 617.1187134 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 445.1347 Annotation 10-Acetoxymajoroside Peak:m/z Relative Intensity 144.2665405 0.07 145.0711670 0.44 159.0453949 0.21 162.0806274 0.11 162.8083954 0.12 165.9940796 0.13 167.2760010 0.14 171.4367981 0.08 184.9338837 0.29 189.0008850 0.08 191.0537720 0.11 195.0666809 0.20 203.0479126 0.45 207.1563263 0.50 209.2100067 0.13 215.2127686 0.13 221.1671753 0.06 227.3884583 0.06 228.9300537 0.06 230.9813232 0.10 233.1430359 0.07 237.0963287 100.00 240.9625549 1.07 247.3927612 0.16 248.8080444 0.07 254.1736450 0.10 256.2656250 0.06 264.3673706 0.07 268.2980957 0.29 282.2221680 0.30 283.3071899 0.91 303.1302490 0.48 320.8542480 0.10 321.4724731 0.06 329.0355225 0.96 330.0979309 0.21 339.1649780 0.31 347.4710083 0.11 356.0370178 0.11 357.4642944 0.06 358.1861267 0.10 366.2012329 0.08 369.3269958 0.23 377.0756226 0.08 382.2591248 0.28 383.2565002 0.67 392.1473694 0.11 398.5574341 0.22 399.2180786 0.31 400.2721863 0.54 401.3500366 2.23 410.1944885 0.27 412.6029358 0.35 414.4582214 0.64 415.2703552 0.84 425.8704224 0.19 427.3121643 2.00 428.2284851 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5836 Annotation Scillanoside L2 Peak:m/z Relative Intensity 365.3186340 0.45 366.1523743 0.31 400.9996033 0.38 405.1023560 0.06 415.6428223 0.06 419.3097534 0.16 421.7166138 0.15 425.3250427 0.05 428.7316895 0.21 467.2143250 0.41 468.1396484 0.28 473.2536011 0.24 474.6322021 0.03 484.2732544 0.12 485.2452393 1.49 486.2767029 0.69 501.6429138 0.15 502.6980286 0.90 504.0429077 0.18 524.4782104 0.10 527.0523682 0.06 528.0062866 0.09 539.3632812 0.16 544.7430420 0.03 568.2475586 0.07 575.6043701 0.05 576.6646729 0.33 601.2869263 0.74 602.6063232 1.20 603.7982178 0.06 619.5136719 72.98 620.4899902 100.00 621.5820312 4.45 629.3808594 1.37 630.3023682 0.80 631.1661377 0.33 632.3721924 0.13 633.3802490 0.97 634.4747314 3.24 643.4251709 0.72 644.5115967 2.20 645.7714844 0.12 646.9412842 0.29 647.7967529 0.15 648.5085449 0.40 656.5628052 0.11 659.0279541 0.07 661.4336548 7.15 662.4484863 14.29 663.6707764 0.64 668.6573486 0.23 673.5723877 0.74 674.4547729 0.68 682.7918701 0.07 688.3057861 0.04 690.5239258 0.08 692.2879028 0.29 702.5314941 0.04 703.7637939 0.15 704.5622559 0.39 710.3873901 0.10 713.6281738 0.03 715.6021729 0.21 716.4733276 0.24 721.1772461 0.18 722.3166504 0.11 723.6204224 0.08 727.5539551 0.15 729.0216064 0.06 738.3754272 0.12 743.3740234 0.08 746.4628906 0.21 761.4351807 0.03 762.4346924 0.57 763.1369629 0.06 764.0537109 0.54 781.2327271 0.91 781.9544678 0.79 782.5828247 0.89 783.3056641 0.24 790.6947021 0.03 806.6746826 0.09 823.5059204 8.38 824.3964233 14.60 825.4162598 0.66 865.1271973 0.18 866.5158691 0.52 889.6397705 0.06 905.8012695 0.08 908.2052002 0.08 941.7451172 0.03 944.4165039 0.06 950.2420654 0.05 956.8244629 0.13 967.8974609 0.11 1087.5495610 0.07 1088.6804200 0.16 1105.0456540 0.27 1106.3311770 5.10 1107.1037600 0.02 1148.0937500 0.36 1149.4680180 0.04 1188.1948240 0.29 1218.4516600 0.08 1220.7139890 0.03 1228.5876460 0.17 1231.9404300 0.29 1232.7298580 0.18 1233.6345210 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 554.16 Annotation Unknow Peak:m/z Relative Intensity 162.1257324 0.14 164.0927734 0.05 173.0627136 0.06 178.9424133 1.35 189.9370117 0.08 193.1401672 0.26 194.1405029 0.39 197.3495178 0.17 198.9325256 0.07 202.0241089 0.08 206.7886658 0.19 217.9720764 0.17 222.2871704 0.06 223.1723480 0.09 226.2212677 0.10 229.0684204 0.52 230.1554260 1.14 231.9335022 0.16 233.1823730 0.58 235.2125244 0.12 247.0405273 2.19 263.9697266 0.17 272.1584473 0.38 283.2070618 0.08 284.0579224 0.10 298.0516663 0.60 299.3971558 0.08 304.4835815 0.12 311.1045532 0.19 315.2728882 0.40 318.1924438 0.53 320.2589111 0.26 321.5341187 0.39 322.2329712 7.58 325.2242432 0.19 327.0065918 0.19 328.2627563 0.07 332.1721191 1.03 333.1258545 0.89 336.1972046 0.66 337.1477661 0.08 338.5635986 0.27 343.0310059 0.18 343.8863525 0.07 345.2319946 0.27 345.9970093 0.17 348.2487183 0.08 350.1474609 25.94 354.2045288 0.05 355.3793945 0.22 358.1292725 0.24 362.1439209 0.08 363.1875000 0.07 369.2705078 0.23 371.4013672 0.18 372.1232300 0.64 375.3861694 0.20 376.5626831 0.62 379.7210693 0.12 382.2451172 0.09 387.4639282 0.12 390.0260010 0.12 392.1101685 0.34 393.2254028 0.88 394.3176880 0.04 397.6016235 0.56 401.2630615 0.05 402.2613525 0.10 406.1973877 0.07 407.2605591 3.19 410.3556519 0.19 413.1913452 0.17 416.0657349 0.59 418.1992798 0.43 421.2625732 0.40 423.1125488 0.17 425.1884766 100.00 427.3814087 0.08 432.0096436 0.38 433.2631226 0.17 434.1735229 0.21 440.2969971 0.25 443.1820068 0.21 444.4638062 0.09 445.3213501 0.33 447.1190186 0.93 447.8982544 0.50 451.2398071 0.23 451.8649292 0.14 460.3600464 0.42 461.4494019 0.77 463.7271729 0.69 464.5805664 0.08 470.3361206 0.12 479.0914917 13.46 479.6916504 0.18 481.6583252 0.72 482.6312866 0.72 487.4810181 1.11 489.0811768 0.12 490.6975708 0.21 491.3752441 0.13 492.0090942 0.22 493.3408203 0.09 494.2155762 0.30 497.1634521 0.32 501.9920654 0.64 505.0646362 0.80 506.2960815 0.17 508.4276733 0.09 509.2968750 0.21 510.9780884 0.27 511.7600708 0.05 512.8676147 0.48 515.8782959 0.18 517.2384644 0.67 518.2784424 0.55 519.3001709 0.10 520.3781128 1.33 521.9147339 0.40 522.6069336 0.31 525.1891479 0.17 527.5479736 0.05 531.1357422 0.12 532.4725952 0.27 535.2230835 1.08 536.2670288 7.88 537.2777710 1.18 541.3198853 0.60 543.0752563 0.34 544.4860229 1.75 545.1925049 0.80 546.6501465 0.12 547.7944336 0.34 563.9260254 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 541.3337 Annotation Unknow Peak:m/z Relative Intensity 172.0339355 0.23 185.1152039 1.15 186.2876434 0.07 187.2118530 0.33 188.2556458 0.33 191.8237152 0.09 195.0347137 0.15 199.0415649 0.94 201.0755920 1.39 202.2466888 0.11 203.0392609 2.93 204.3571625 0.12 210.9962769 0.56 213.1264954 1.91 214.1369019 0.38 217.1483612 0.21 225.1507721 0.29 226.1160736 4.51 227.0841370 3.99 228.4270172 0.57 229.1866913 1.39 235.1604767 0.32 242.8660431 0.29 244.8283386 0.12 246.3425140 0.12 258.2983398 0.07 267.8682556 0.86 271.2098083 0.17 272.0392456 0.15 277.1786499 0.09 278.2941284 0.14 282.6740723 0.70 289.2200928 0.20 293.1409302 0.13 297.4182739 0.41 298.5096741 0.12 300.3137817 0.79 301.3455811 0.16 307.3823853 0.08 312.1473389 0.13 313.1381226 0.78 315.0813599 0.22 316.2288208 1.14 318.2690430 0.31 321.0039062 0.12 322.2041016 0.13 324.2012939 0.63 327.7036743 1.92 328.3767090 0.70 330.3948364 0.09 331.8386841 0.23 332.8964844 0.83 335.0718384 0.57 339.1399536 0.56 341.3355713 0.08 343.0535889 0.13 350.1968994 0.17 351.6867676 0.20 353.5745239 0.80 354.7056274 0.76 355.5342407 0.48 357.2180786 0.52 358.3015137 0.10 360.7899780 0.75 362.9957275 1.73 363.7299194 1.08 364.6616211 1.33 366.7299194 2.19 367.6803589 2.15 369.1931763 0.54 371.3128662 0.42 374.7257690 0.09 377.0060425 98.83 378.4022217 0.90 379.0895996 0.68 380.4069824 0.45 381.2145996 0.24 383.2747192 0.74 384.8146362 1.26 389.1514282 0.69 389.9415894 0.52 394.1057739 0.14 397.2976685 0.41 398.2479248 0.33 399.3140869 0.52 401.4566040 0.64 402.2886963 0.31 403.5092163 0.46 404.3874512 0.40 407.1928711 2.36 408.8593750 0.17 410.7349243 1.27 411.3669434 0.71 412.4947510 8.55 419.1777954 0.57 420.8611450 0.12 423.1666260 1.25 425.6974487 1.17 426.6662598 1.86 428.4235229 63.23 429.4063721 0.42 430.3050537 0.75 431.2681274 0.63 431.9646606 0.63 433.4028931 35.60 434.0214233 8.88 435.3247681 0.56 436.4152222 0.85 440.2929077 1.19 444.1256104 0.71 448.0505981 0.85 449.2714233 0.09 454.2703247 1.40 456.9014893 1.31 458.0548706 0.34 459.5938110 0.48 466.4755859 0.53 468.9992065 1.80 476.0916138 24.72 476.8443604 0.11 480.9039917 0.79 481.5285034 0.06 482.2163696 0.77 485.0016479 6.29 486.2140503 0.42 488.6077271 1.88 489.9988403 15.93 491.4797363 0.25 492.6579590 0.43 493.5861206 0.32 495.2022095 1.05 496.2127686 0.69 497.3048096 1.08 500.6147461 0.41 502.5520630 0.31 503.9014282 1.30 504.5337524 0.35 505.4663696 0.83 509.4890747 0.37 510.8843384 1.38 511.6417847 0.39 515.3031006 0.18 516.9154663 2.11 522.4668579 1.99 523.4204102 4.54 524.3862305 1.02 525.4230347 1.43 526.0820923 1.07 527.3071899 0.57 528.2069092 2.72 529.0001831 0.17 530.9973755 0.44 532.2319946 5.52 533.0424194 1.58 533.6898804 1.09 548.3872681 0.49 551.4122925 0.18 554.3893433 0.37 555.5129395 0.18 556.5358887 0.23 557.6176147 0.18 558.4503174 0.43 559.2361450 1.16 563.3605347 1.11 572.2401733 0.18 573.6895142 1.76 584.1797485 0.80 585.8040161 0.42 589.6382446 0.65 593.4454346 0.44 595.4636230 0.06 598.1420898 0.43 599.5375366 0.36 606.2225952 0.37 611.0869141 0.34 616.2007446 0.62 619.4464722 0.30 620.1939697 0.39 622.8435669 2.07 624.5127563 0.56 625.8881226 0.63 627.1094360 0.67 630.4805298 4.84 631.3997803 0.53 635.7531738 0.23 636.9328003 0.21 639.4988403 0.22 640.7111206 0.32 643.6380005 1.31 650.5867310 0.73 651.5339355 3.46 653.5414429 6.75 654.4421997 2.57 655.6297607 3.04 657.0982056 0.29 658.0701294 0.80 663.6216431 0.07 664.7006226 2.06 665.3207397 0.82 666.4703979 0.13 667.3250122 0.35 668.6032104 0.46 669.5542603 0.14 670.8154907 0.46 672.0544434 0.14 673.1378174 0.21 677.4534912 0.91 678.5684204 0.26 682.9808960 0.15 684.2568359 0.64 685.2897339 0.10 688.3075562 1.10 691.5656738 0.31 694.5441284 0.11 702.7413330 1.02 703.7449341 0.76 708.4703979 0.18 710.1057739 2.25 710.9426880 0.39 712.3916016 3.52 717.2850952 0.47 718.5786133 0.66 724.4035645 1.11 725.6386108 0.12 731.5725098 0.40 732.3892212 0.17 734.4986572 2.03 735.2640991 0.11 737.2664795 0.34 740.4468384 0.82 743.3229980 0.29 745.8688354 0.11 748.4982300 1.97 749.4839478 0.22 750.4534912 2.51 752.5261841 100.00 753.5937500 32.04 758.6007690 1.94 759.5092163 0.76 766.5327148 7.38 767.6405640 3.35 778.5531006 0.30 779.5929565 0.09 783.7474976 0.88 795.5962524 0.24 796.6256714 0.77 797.7819824 0.24 803.7649536 0.17 804.7562256 0.12 812.4982300 0.20 821.4700317 0.37 823.7255249 3.33 824.4658203 1.92 833.1567383 0.68 836.6530762 0.21 840.1208496 0.10 847.5639038 1.59 848.9249878 0.22 852.5317993 0.43 855.5359497 15.24 856.6782837 5.45 857.5063477 0.33 862.6872559 0.12 865.6818848 2.74 866.7324829 0.11 867.5814819 0.16 869.5138550 0.10 872.6809082 0.71 879.6002808 16.37 880.6550903 5.39 882.0296021 0.29 891.6513062 0.40 917.3217163 0.82 932.8394165 0.11 968.5326538 0.58 972.5541382 0.95 976.4757690 0.49 978.5134277 2.98 979.4460449 2.96 980.1791382 0.06 1059.9404300 0.57 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 674.0201 Annotation Unknow Peak:m/z Relative Intensity 204.8883667 0.10 208.8757019 0.09 210.9901733 0.33 212.3692322 0.09 215.2171326 0.25 220.8888397 0.25 228.3141174 0.09 230.1042938 0.19 239.2624054 0.04 245.2742615 0.25 246.0343628 0.26 247.0110931 0.30 248.1692505 0.14 250.3162537 0.11 251.3087158 0.08 258.0428467 0.29 269.9973755 0.05 279.3029175 2.00 280.2421265 0.16 283.3612976 0.06 284.2378540 0.15 288.2117920 0.07 299.1501770 0.04 300.4061584 0.18 301.1631775 0.54 302.3127441 0.10 307.2076416 0.05 308.3290405 0.27 313.9782104 0.16 315.2368164 0.16 316.1055908 0.03 326.2996216 1.14 331.2733154 0.09 333.5025024 0.04 340.8658447 0.06 342.6804810 0.23 343.3305359 0.37 343.9708252 0.04 346.1619263 0.40 349.2622681 0.16 350.2439575 0.20 352.8572388 0.17 357.4847412 0.19 359.3330078 0.13 361.3194580 0.36 368.9514771 0.04 371.1159668 0.24 372.2297974 0.21 374.1997681 0.31 379.1926270 0.50 380.5059814 0.38 383.2174072 0.06 386.6713257 0.29 387.4979248 0.07 388.8255615 0.48 395.5712280 0.18 396.4739380 0.12 397.2059937 0.57 402.3703613 0.12 403.2294922 0.21 405.2361450 0.31 406.0781860 0.17 407.9733887 0.17 409.3195190 0.20 411.2196045 0.20 412.3469849 1.62 414.2006836 0.51 415.1239014 0.13 416.4782715 0.54 417.3162842 0.75 418.3704834 0.36 419.1338501 0.04 419.9431152 0.24 423.3018799 0.19 427.3734131 0.79 428.3195190 0.04 429.3610229 0.10 435.4436646 1.80 438.1830444 0.11 441.4305420 0.34 445.0601196 1.05 446.0461426 0.10 447.4795532 0.07 457.1282959 0.58 460.6977539 0.16 466.1464844 0.17 467.3446045 0.07 469.0304565 0.07 469.9479980 1.31 476.3570557 3.54 476.9963379 0.37 478.7603149 0.06 480.2916260 0.39 481.8469238 0.16 483.4971313 0.14 484.5377197 0.07 487.8531494 0.24 494.2709961 0.20 494.9772949 0.30 495.9360352 0.04 498.0225830 0.22 501.4712524 0.33 504.2259521 0.39 507.4898071 0.09 508.2420044 0.46 509.9727783 0.48 511.2724609 0.39 512.3381958 0.48 514.8663940 0.52 517.1467896 0.06 518.8549194 0.21 522.5950317 0.43 524.0632935 0.67 525.2694092 0.20 526.3378296 0.87 528.4177856 0.81 529.5899048 0.20 530.3326416 0.28 531.3572998 0.12 533.0496216 3.25 534.0876465 0.15 541.4529419 0.84 543.1773682 2.91 543.9292603 0.05 545.1549683 0.35 545.8684692 0.19 548.1419067 0.05 548.9308472 0.11 553.5028076 0.74 554.4496460 0.52 555.7753296 0.51 557.4885254 0.16 561.5562134 0.06 565.9063110 0.67 568.3383179 0.28 569.4464111 0.15 570.5605469 0.44 571.3667603 0.32 575.1140137 4.28 575.9599609 0.28 576.9497070 0.04 579.3187256 0.07 581.3193970 3.33 582.5209351 4.78 583.7937622 1.97 585.4074097 0.45 586.3552246 0.34 589.3851929 0.06 590.3490601 3.33 591.1190796 0.46 592.6063843 0.30 594.1464233 0.14 595.6948853 0.53 599.2918091 0.43 599.9140015 0.07 600.9625854 0.40 602.4608765 0.20 605.2158203 0.63 606.3945923 0.19 608.6395874 2.29 609.9446411 0.22 610.8552246 0.26 611.8842163 0.69 614.3870239 6.78 615.5372925 0.60 616.6084595 0.49 618.4647217 0.16 620.3035278 0.10 620.9630737 0.05 623.0191040 0.61 625.0964966 0.77 626.3304443 1.02 627.2171021 0.20 628.9508667 1.22 629.8909912 2.31 630.6784058 0.45 632.3714600 0.83 633.4968872 1.39 634.1538086 2.87 634.8821411 0.60 638.3498535 0.54 639.2497559 0.38 640.5673218 1.27 641.4138794 0.19 642.5748901 0.32 643.3186646 0.38 644.1007080 0.12 645.4294434 0.74 651.5691528 0.71 652.5879517 1.38 653.3606567 0.96 653.9641724 0.17 655.4788208 0.86 656.4238892 8.59 657.3298950 1.84 658.6765747 0.20 659.5250854 0.05 660.4113159 5.39 661.1766968 0.61 662.3314819 6.30 663.5908813 1.79 664.6649170 1.98 665.4039917 0.93 667.4409790 0.08 669.0024414 0.07 669.7609863 0.31 674.1870117 0.15 678.5781860 0.05 683.5802612 1.66 684.3712769 0.84 692.8831177 0.22 694.3308716 0.63 695.3400269 0.16 701.1141357 0.08 706.4085083 0.27 710.8704224 0.67 718.3244019 0.25 719.9223633 5.94 720.6764526 1.75 721.4341431 0.98 723.1110840 0.20 723.9755249 0.89 727.5640259 0.45 730.5665894 0.30 731.8147583 0.81 734.9854126 0.17 736.4829712 1.86 739.5261841 2.12 740.6843872 0.07 750.5577393 0.15 754.5792847 1.19 757.3628540 0.15 760.2337036 0.55 764.4395752 0.27 765.6746216 0.22 768.4069214 0.23 771.6708374 10.19 772.7096558 0.31 773.8173218 0.09 774.5664673 0.35 775.4488525 0.19 777.7652588 0.24 782.6022949 0.03 783.2276001 0.48 784.4026489 0.36 785.0098267 0.06 786.0736694 0.20 787.1834106 1.23 790.0657349 0.17 791.9260254 2.22 793.5036011 2.71 794.1193848 1.22 798.2872925 0.72 798.9868164 0.11 799.9075317 7.29 801.0484619 0.19 803.7191772 0.14 805.2092285 0.20 807.1205444 0.31 809.6096191 0.44 810.5380859 0.09 811.3994141 0.77 812.2178955 3.38 812.9561768 0.10 815.3621216 0.06 816.3832397 4.06 817.3785400 0.62 818.7188110 0.31 819.6313477 0.97 820.2865601 0.08 821.6010742 1.56 822.3662109 0.41 823.5507202 3.67 824.7598877 0.71 826.4040527 1.69 828.0870972 0.09 829.0592651 0.22 830.6131592 0.15 831.3040161 0.08 837.0014648 0.77 838.3671265 0.48 839.8909912 0.52 841.4929810 1.13 842.8281250 0.08 844.3923950 0.97 845.3992920 0.22 847.5537109 0.08 850.3287354 0.29 854.6460571 7.18 855.4776001 1.77 858.2886353 0.26 860.1392212 0.08 862.6186523 1.08 863.5303345 1.18 864.2734375 0.35 868.1439819 0.36 870.0503540 0.12 871.6449585 37.57 872.4652710 0.51 874.5022583 0.13 875.5612183 0.10 877.6021118 0.22 878.3253784 0.25 879.3020630 0.07 879.9138794 0.14 885.6940918 0.32 887.5784302 0.41 890.6057129 0.13 897.9472656 0.38 904.0673218 0.46 907.2066040 0.39 908.7919312 0.22 909.7983398 0.64 912.1911621 3.62 914.9960327 0.09 921.1946411 100.00 922.0840454 0.09 923.1023560 0.07 923.7931519 0.38 924.4966431 0.36 927.6757202 0.13 929.4786987 0.86 930.4823608 1.49 931.5932617 0.47 934.6144409 0.09 935.3860474 0.27 938.5952759 3.57 939.6937866 0.77 941.4577026 0.40 942.8545532 0.13 947.9257202 0.24 951.5039062 0.71 952.6393433 0.40 956.6293945 0.99 957.7553101 0.05 959.4748535 0.07 961.7532349 0.82 965.6723633 0.11 966.3439941 0.39 976.0886841 0.04 976.7727661 0.20 977.7317505 0.19 988.7136230 0.65 994.5350952 0.29 998.5916138 0.10 1012.6210940 0.61 1016.6084590 0.07 1029.3057860 0.06 1030.5192870 0.37 1031.7553710 0.44 1033.8850100 0.24 1038.0490720 0.15 1046.4322510 0.08 1051.8552250 0.10 1056.5893550 0.26 1058.6933590 0.10 1061.3693850 0.20 1063.6469730 0.12 1064.4604490 0.89 1065.5007320 0.36 1069.3891600 0.19 1082.9409180 0.17 1097.8640140 0.08 1098.6469730 0.56 1099.4510500 0.20 1101.4130860 0.15 1102.7937010 0.12 1110.6611330 0.26 1114.3044430 0.29 1127.7340090 0.94 1128.8972170 0.20 1135.5255130 0.15 1148.7363280 0.50 1149.5458980 0.15 1152.9899900 0.05 1163.5620120 0.27 1170.6733400 0.16 1179.6809080 0.84 1180.8797610 0.62 1184.2133790 0.06 1190.8918460 0.15 1192.6997070 0.13 1196.3632810 0.35 1200.7366940 1.25 1201.9327390 0.17 1214.3753660 0.10 1221.3518070 0.10 1228.7407230 0.35 1264.7901610 0.11 1266.8944090 0.25 1283.9693600 0.18 1326.7860110 0.17 1333.4747310 0.14 1375.6337890 0.09 1406.8889160 0.15 1426.6885990 0.07 1488.6429440 0.07 1527.9171140 0.12 1585.8101810 0.09 1902.3399660 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 699.3797 Annotation all-trans-Heptaprenyl diphosphate Peak:m/z Relative Intensity 199.3416290 0.04 317.0109863 0.05 325.3692627 0.13 341.3287659 0.08 355.2551270 0.10 356.9559937 0.12 397.2698364 4.99 415.2654419 0.99 428.5629883 0.05 518.1528320 0.05 537.6109009 0.04 573.4128418 0.42 601.2902222 0.04 605.3754272 0.21 641.0464478 0.22 653.2455444 100.00 654.0031738 0.21 666.4090576 0.09 681.1457520 0.46 690.8411255 0.05 697.9685669 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1227.5564 Annotation Yayoisaponin A Peak:m/z Relative Intensity 350.2135315 0.02 404.2619629 0.09 408.3962402 0.15 409.3233643 0.01 426.2492065 0.65 427.2291565 0.03 436.3096008 0.03 483.5652466 0.03 498.4631653 0.02 503.5368958 0.02 520.3553467 0.06 524.2534180 0.30 525.2854614 0.14 530.5576782 0.03 532.4174805 0.02 534.9326782 0.02 542.2548218 0.41 543.5213623 0.14 545.3378906 0.01 562.6321411 0.04 599.5530396 0.06 635.4431152 0.03 646.2832642 0.02 650.6464233 0.02 652.6441650 0.03 653.8978271 0.06 655.7067261 0.05 676.2445679 0.02 698.4985962 0.58 713.5933838 0.02 725.6424561 0.02 730.3737183 0.63 731.6046753 0.18 732.6009521 0.06 733.3161621 0.25 747.5046997 0.15 748.7172852 0.15 764.2340698 0.17 765.5280762 0.31 766.6323242 0.04 781.3387451 0.07 782.3662720 0.52 783.5220947 0.26 786.3439941 0.03 799.5676880 1.30 800.5496826 0.58 801.3948364 0.01 852.8298340 0.02 867.6597900 0.03 872.4705811 0.04 893.0590820 0.04 901.0114746 0.02 903.7838135 0.02 908.6907959 0.03 910.5275879 0.64 911.7172852 0.19 912.4885254 0.02 921.6287842 0.08 931.3255615 0.03 946.6990967 0.17 955.5825195 0.07 964.5792236 0.13 965.6008301 0.06 977.3557129 0.08 981.2587891 0.62 982.2717285 0.04 984.7512207 0.01 995.7175293 0.04 996.6254883 0.14 999.5118408 1.06 1000.4615480 0.51 1001.0954590 0.02 1011.3527830 0.03 1013.7211910 0.24 1027.5607910 0.20 1029.4895020 0.10 1030.5507810 0.10 1034.3847660 0.02 1041.7686770 0.02 1043.5063480 0.14 1045.6292720 0.31 1046.6474610 0.17 1047.5491940 0.11 1048.6030270 0.03 1061.5041500 0.83 1062.5090330 0.21 1065.6812740 0.02 1066.6860350 0.03 1078.0257570 0.03 1079.3990480 1.62 1080.5314940 0.96 1088.8740230 0.05 1096.3984380 0.26 1097.5867920 0.49 1098.5581050 0.04 1112.0640870 0.03 1115.6518550 0.04 1125.5561520 0.02 1138.7988280 0.04 1144.3035890 0.04 1144.9086910 0.02 1150.3731690 0.01 1157.3511960 0.11 1158.3941650 0.08 1159.0617680 0.06 1159.6633300 0.11 1161.9024660 0.03 1162.5067140 0.04 1167.6584470 0.10 1168.6777340 0.06 1174.9340820 0.12 1175.5671390 0.68 1176.4405520 0.59 1191.4606930 6.10 1192.5129390 2.39 1193.7066650 0.28 1194.7514650 0.10 1195.7910160 0.09 1196.4118650 0.09 1205.5820310 0.19 1206.8991700 0.29 1209.5290530 100.00 1210.5959470 32.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 227.9822 Annotation Unknow Peak:m/z Relative Intensity 73.0398102 0.01 81.0878830 0.03 82.8283844 0.01 84.9023438 0.02 95.9536285 0.02 96.9866180 0.09 98.7909851 0.02 108.7669678 0.03 111.0159149 0.02 116.1860199 0.01 121.3178101 0.04 123.1472931 0.02 139.9676666 0.02 149.3467255 0.04 157.0603790 0.05 167.1681061 0.01 174.1738434 0.01 182.0800629 0.24 183.8282471 0.01 186.8548737 100.00 191.4021759 0.07 192.1775665 0.06 193.0332794 0.01 197.1233826 0.02 199.0778046 0.10 200.0675812 0.11 204.6742401 0.58 209.2582397 0.11 210.2321777 0.25 211.1184540 0.04 218.7830200 0.10 227.9637451 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 485.18 Annotation Unknow Peak:m/z Relative Intensity 142.9398651 0.59 145.0699158 2.98 146.0711975 5.94 149.0934143 0.07 158.0951080 0.10 159.0894012 1.45 160.0380859 3.61 161.1165161 35.19 171.2274475 0.11 172.9330902 13.45 175.0993652 6.55 179.1654816 1.26 184.3952942 0.09 185.2437134 1.98 187.1519318 0.53 189.0569153 64.04 201.1273499 2.43 203.1628723 37.05 204.1986694 0.54 215.0360870 2.27 217.0885162 0.41 221.0847473 11.01 229.0819092 3.09 231.1276093 1.55 233.1898804 0.25 239.1277924 0.24 241.0466003 1.21 243.2213135 0.13 245.2690277 0.84 249.2797241 0.39 251.3905029 0.14 254.1396179 0.24 256.3228149 0.17 257.1414490 0.25 259.1250610 0.82 259.8700562 0.29 261.3108215 0.12 262.8074341 0.09 269.2473755 0.77 271.2394409 0.29 272.1885376 0.40 274.8282776 0.44 277.1876221 4.68 281.1041565 0.11 287.2326965 1.81 289.4704285 0.12 295.1746216 1.45 298.0623779 0.50 305.1021729 100.00 306.1634521 2.79 307.2031250 1.91 321.3477173 1.88 322.1564941 1.01 323.2766113 23.65 334.8319702 0.17 355.3083496 0.24 365.3137817 0.52 383.4988098 0.22 395.2663879 0.08 397.7501526 0.33 413.2995300 0.19 415.3172913 0.16 417.3748169 0.12 421.6750488 0.08 423.5367737 0.21 439.1529541 1.50 440.0638733 0.22 441.2794495 0.27 444.3852234 0.20 445.2627258 0.28 448.3988342 0.08 449.2245789 0.87 454.3965149 0.30 455.2011719 0.23 457.2518921 7.23 467.2536926 23.46 470.3390808 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 637.1795 Annotation Glycobismine-D Peak:m/z Relative Intensity 198.2852631 0.16 224.8163452 0.08 249.0389099 0.07 254.2914734 0.04 267.4093018 0.16 268.3321838 0.15 272.5889282 0.29 306.3060913 0.11 307.1995850 0.31 308.1681519 0.19 313.3673706 0.63 314.0922852 0.15 322.8644409 0.22 341.2303467 38.38 343.3733521 0.08 365.3990479 0.06 374.6517944 0.19 376.4387207 0.12 383.0935669 0.57 387.1137695 0.19 389.3028564 0.04 404.6070557 0.18 407.3110962 0.12 408.5551147 0.07 411.0806885 3.53 417.1538086 0.51 429.2993774 8.40 431.4334106 0.42 436.3941040 0.08 437.5081787 0.40 439.2601929 0.23 445.0986938 100.00 445.7873535 0.60 449.2420654 0.08 456.5635376 0.65 457.3692017 0.09 462.9547119 0.33 464.5020752 0.35 469.4801636 0.14 472.4235229 0.14 474.8461304 0.97 475.4973145 0.23 485.5234985 0.05 493.2146606 0.15 507.4318237 0.52 508.5310669 0.32 513.3047485 0.06 515.2920532 0.20 516.0082397 0.34 522.4179077 1.17 533.2188110 0.11 535.2789917 0.16 539.3566895 0.09 541.4175415 0.17 547.2926636 0.88 561.0227661 0.20 565.3886108 0.08 574.3182983 0.07 575.3170166 0.10 577.6151123 0.26 578.5861206 0.24 587.1836548 0.09 589.7372437 0.17 590.5879517 0.51 591.2157593 1.01 592.3169556 0.42 593.4229126 1.03 594.9908447 0.05 598.3724365 0.34 601.5213013 0.39 605.2260742 0.14 606.5584106 0.23 613.3918457 0.18 614.7626343 0.82 617.4442139 0.06 618.5841675 1.90 619.4611206 0.85 620.3999634 0.47 627.8933716 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1411.6315 Annotation Juncin K Peak:m/z Relative Intensity 423.3383484 0.02 443.1305847 0.02 467.2775269 0.58 487.5794678 0.07 583.6742554 0.04 619.6055908 0.12 745.6298828 0.03 763.4663696 0.05 781.5435791 2.23 782.5563965 0.16 823.5573120 0.05 877.4902344 0.01 889.3726807 0.01 899.7282715 0.03 925.0368652 0.20 925.6403809 1.43 926.7363281 0.07 943.5223389 100.00 944.5375977 6.90 945.2645264 0.06 967.5922852 0.04 984.9151611 0.17 985.5284424 0.97 986.5594482 0.12 1025.7779540 0.23 1029.9653320 0.02 1087.5889890 0.09 1093.8249510 0.02 1101.9781490 0.14 1127.1584470 0.03 1149.6684570 0.01 1193.4779050 0.02 1267.3356930 0.16 1268.1781010 0.03 1268.8183590 0.03 1349.7097170 0.06 1375.6577150 0.01 1380.7387700 0.02 1393.6732180 0.07 1394.7093510 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 571.31 Annotation Unknow Peak:m/z Relative Intensity 169.0991211 0.16 170.1481018 0.03 183.0487366 2.46 187.2224579 0.12 189.2471313 0.06 197.1438904 1.78 198.0471954 0.23 200.3490143 0.04 201.1096802 0.77 203.9740143 0.10 206.9823914 0.07 209.3758545 0.18 210.9318542 1.13 211.5744781 0.41 213.2301025 0.03 218.9684753 0.84 224.8155975 0.07 228.3649902 0.16 229.3383636 0.65 230.2603455 0.12 234.1150513 0.06 235.9609985 0.14 240.0828705 0.69 241.1594849 0.10 246.7578888 0.28 255.4256134 0.23 256.0650940 0.13 259.1165161 0.92 262.7976379 0.19 265.0432129 0.12 267.1156006 0.34 270.3312988 0.37 272.0440369 0.29 276.2903442 0.05 277.0512695 0.12 282.1778564 0.34 284.2752991 0.20 291.8961182 0.10 293.2234497 0.07 294.9726562 0.09 296.3750305 0.19 298.9618530 0.05 300.2509766 6.01 301.0776978 1.05 303.3810425 0.07 305.5876465 0.23 308.5179138 0.14 310.1198730 0.29 311.3400879 0.33 312.9592285 0.42 314.3493958 0.41 321.1282349 0.09 322.7203369 0.05 325.1813354 5.68 326.4471436 0.03 327.2214966 0.14 330.2496338 0.52 332.4651489 0.16 333.2919312 0.20 334.2892456 0.20 338.3186035 0.49 340.1317139 7.44 340.8165283 0.19 342.4525146 0.15 343.4472046 0.08 345.3330078 0.05 347.1762085 0.29 348.0125122 0.06 351.0756836 0.26 352.6212158 1.63 353.2575684 13.30 355.2778931 0.19 356.0465088 0.50 366.1849365 0.82 368.1166992 0.29 369.7595215 0.18 371.2293091 2.86 372.2171021 0.78 373.3267822 0.20 374.3709106 0.17 375.0078735 0.08 380.6747437 0.06 384.9063721 0.08 386.1776123 0.26 387.0632935 0.29 389.5603027 0.12 390.9982910 0.06 391.9447021 0.33 393.2072754 1.18 395.1036987 0.83 397.1654053 0.05 399.1552734 0.36 400.3381348 0.27 405.0618896 0.07 406.3141479 0.19 408.6761475 0.34 410.1572876 0.17 411.2980347 1.63 412.4447021 0.28 413.4106445 0.05 414.5218506 0.15 415.6844482 0.24 419.1480103 0.54 422.2501221 0.05 423.3055420 0.57 424.1163940 0.11 425.2934570 0.07 429.3441162 100.00 431.2210693 0.03 436.1399536 2.12 437.1433105 0.67 438.2713623 0.11 439.6154785 0.14 440.2929688 0.48 441.0711670 0.70 441.8836060 0.51 442.9798584 0.97 443.5972290 0.03 445.0419922 0.26 446.3362427 0.20 447.9368896 0.41 450.2288208 0.06 452.1147461 0.18 453.5446777 0.24 454.2395630 0.68 454.8479614 0.02 456.2514038 0.25 456.9995728 0.34 460.6477661 0.37 462.9625244 0.14 464.3160400 5.35 465.2659302 3.82 466.1433716 0.92 467.2257690 1.75 468.2979736 1.21 471.0214233 0.08 472.1972656 0.16 474.1461182 0.03 476.0146484 0.25 476.7819214 0.51 478.8341675 0.53 479.4436646 0.04 482.3698120 86.77 484.5940552 0.09 485.5878906 0.17 487.4633179 0.53 488.2741699 0.10 490.6337280 0.31 495.2457886 0.09 497.3338013 0.44 498.1787720 0.17 500.2807617 0.16 501.2979126 0.14 502.3681030 0.65 503.1764526 0.17 505.5468750 0.23 506.3589478 0.08 507.8165894 0.13 508.9638672 0.47 509.8458862 0.13 511.0765991 0.29 511.7672729 0.50 512.9989624 0.17 516.5089722 0.91 517.3328857 0.61 518.8693848 0.59 519.6496582 0.67 521.0657349 0.79 521.9349365 0.35 524.1156616 0.16 525.1559448 0.14 525.8433838 1.52 527.4359741 0.05 529.1671753 0.05 530.4066162 0.09 531.6155396 0.12 534.8711548 0.08 537.0635376 0.11 538.0233765 0.42 538.9989624 1.98 540.1517334 1.60 541.1582642 0.21 542.2153320 1.66 543.0689087 1.78 543.9059448 0.87 544.7074585 0.09 545.6482544 0.51 546.6419067 0.10 549.3495483 0.34 550.0393677 0.35 550.7592163 0.40 552.3214722 2.95 553.2044067 2.16 554.1688232 1.75 554.9396362 0.09 556.2117310 0.81 557.5918579 0.56 558.6013184 0.81 561.6450195 2.33 562.6611938 0.93 563.6733398 0.04 564.4650269 0.47 565.1027832 0.06 576.7732544 0.56 577.5911255 0.05 578.5799561 0.10 581.7719727 0.08 582.7003174 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 556.1963 Annotation Acrimarine-N Peak:m/z Relative Intensity 160.0392456 0.16 166.2143707 0.03 167.1705017 0.05 167.9188385 0.01 169.0191193 0.01 170.6823730 0.04 171.3232117 0.06 177.0084839 0.15 179.1048889 0.91 179.9721832 0.06 182.0098572 0.01 183.3421173 0.02 185.2164917 0.05 191.9712830 0.08 197.1184082 0.05 198.2705841 0.03 210.0995178 0.65 210.8442535 0.01 213.0204010 0.03 218.0979462 0.01 228.1487885 0.04 231.1165466 0.02 233.0970459 0.01 236.0391235 0.11 237.0658722 0.01 242.3161163 0.04 243.3453064 0.01 254.1550903 3.44 255.1397552 0.26 269.2882080 0.03 272.1424866 4.33 273.1962891 0.29 288.1058350 3.14 289.1728210 0.13 306.1185303 100.00 307.2041321 3.60 309.0321045 0.01 392.9690552 0.01 406.3366699 0.02 426.7919922 0.04 454.2091064 0.12 455.4415283 0.01 464.3618774 0.02 470.3514404 0.03 510.3964233 0.04 512.4221802 0.06 519.7951660 0.01 538.0590210 0.13 539.2570190 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 290.17 Annotation Unknow Peak:m/z Relative Intensity 84.9732666 0.06 88.1724243 0.08 89.8394394 0.39 91.1178131 0.07 99.9628906 0.21 101.9031525 1.11 104.8373108 0.09 109.0443878 0.09 110.8908997 0.27 114.8435287 0.12 115.8014603 0.10 116.9424667 0.50 119.8795700 12.42 120.4853516 0.14 121.9199677 0.36 124.1068726 0.09 124.7259216 0.21 127.0342255 0.08 127.8420715 0.09 132.0119629 0.31 132.6399841 0.05 134.1023560 0.21 135.9789429 0.07 143.0409241 5.48 144.9053345 1.21 146.0506287 0.45 148.0727234 0.08 149.0553589 0.09 158.0367126 0.04 158.7949371 0.15 160.0262909 0.10 162.3112488 0.39 163.1499329 0.13 163.8639832 0.23 167.9251404 0.20 170.9390259 54.51 172.1443939 0.40 173.0567169 2.33 174.9609070 0.21 176.1696777 0.15 178.9926453 0.45 180.1782684 0.04 181.1385498 0.37 182.1365356 0.11 184.0841980 0.13 185.7447968 0.23 186.9976654 0.18 188.1468811 0.26 188.9745941 0.41 190.1356506 0.11 191.0113983 0.43 193.1808167 0.08 193.8829041 0.04 194.8803711 0.12 196.5070190 0.24 199.1668091 0.42 200.0530701 17.05 201.0062866 2.71 201.7805481 0.06 204.9832458 0.72 206.1964417 0.34 208.8652039 4.04 213.4162903 0.17 215.1487122 0.32 216.0909424 0.69 217.1269226 0.08 219.1470337 0.23 220.1903687 0.52 224.1784058 0.25 225.0929565 0.40 225.8680420 0.63 227.1595764 0.13 228.0420227 0.12 229.1299438 0.56 230.1548157 0.70 231.3250732 0.49 232.1169739 0.80 232.9198303 0.13 234.1123962 0.05 240.1497803 0.21 240.9481201 0.09 242.3917542 0.22 244.0278931 1.19 245.2031250 0.81 246.0058594 0.19 247.2616882 0.07 247.9812317 0.48 248.9734497 0.49 254.2216492 1.50 254.9498291 0.16 258.2044678 0.09 258.8806152 0.55 260.1648560 0.55 260.8984680 0.16 262.1078186 0.98 263.0940552 0.29 266.6849976 0.13 268.8076782 0.12 269.9328003 0.05 272.1510315 100.00 272.9649048 2.73 279.4152832 0.13 280.9802551 12.28 281.8495483 4.55 283.7488708 2.10 284.3712769 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 147.08 Annotation 3-Ureidoisobutyrate Peak:m/z Relative Intensity 84.0370789 0.06 100.9152069 1.89 129.9385834 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 601.1387 Annotation Unknow Peak:m/z Relative Intensity 179.0976868 0.67 198.9649353 0.09 203.2745514 0.10 220.9292145 0.44 233.2938385 0.06 240.9965363 0.13 250.6406555 0.06 259.0648193 2.98 261.0968018 0.12 281.3173218 0.16 285.2423096 0.12 293.2596436 0.07 303.3155212 0.15 305.2474365 0.26 321.4020386 0.19 323.1951294 0.44 333.3284302 0.05 341.0131836 1.86 383.3516846 5.38 403.1140747 0.41 413.5468750 0.26 421.1502075 6.46 425.0169678 0.19 428.9760742 0.12 430.1117554 0.17 431.2144775 0.51 439.0792236 4.50 443.0963745 0.25 454.6823730 0.09 465.1685791 0.12 468.1155396 0.51 469.3090210 0.08 481.4364014 0.21 485.2881470 0.13 494.4332275 0.19 496.2747803 0.17 499.0410156 0.12 503.2598267 100.00 511.2998657 0.22 513.3292236 0.16 517.2169800 0.39 525.1661987 0.04 541.2543335 0.69 555.0476685 1.12 562.9705200 0.05 565.2994995 0.35 583.1962280 17.27 583.8337402 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 690.8049 Annotation Unknow Peak:m/z Relative Intensity 201.1068878 0.84 202.1862183 0.14 203.1517334 0.07 207.0536499 0.40 208.3764648 0.33 209.2895355 0.05 212.0010681 0.09 226.4794769 0.18 230.3692322 0.07 240.4563599 0.37 243.0491791 0.23 245.8402710 0.14 246.9135132 0.04 249.1553650 0.02 254.2298584 0.03 255.4928589 0.02 259.2292175 0.17 272.2817383 0.19 272.9815979 0.13 274.0372009 0.11 280.1715088 0.07 285.0969849 0.24 289.2191772 0.03 298.2844238 0.18 301.3199463 0.31 308.9639893 0.13 310.1862183 0.07 312.1741638 0.17 314.9764404 0.07 317.5463257 0.12 323.1103516 0.03 326.2420959 0.05 328.3526611 0.08 330.2625122 0.41 332.2477722 0.08 335.4650269 0.20 337.2167358 0.07 338.3128967 0.08 342.1951294 0.13 343.3604431 0.08 347.2150574 0.05 351.6166992 0.19 354.4451904 0.40 356.2203369 0.18 357.1939087 0.04 359.0626221 0.05 362.5469360 0.03 363.2293701 0.06 365.4579468 0.07 366.8513794 0.21 373.3029175 0.03 374.3875732 0.17 377.4999390 0.10 381.4483032 0.02 383.0859375 0.44 388.0533447 0.10 389.4300537 0.03 401.3283081 0.43 403.1903076 0.26 410.3229370 0.08 414.3142700 0.05 415.3749390 0.39 416.1871338 0.07 417.3223877 0.37 418.2060547 0.10 419.1875610 0.09 427.2506714 0.24 431.2791748 0.18 436.2587280 0.08 437.2878418 0.06 440.3509521 0.04 441.5350952 0.09 444.8793335 0.06 446.2983398 0.12 447.7245483 0.30 448.4345703 0.32 449.1042480 0.10 454.9356079 0.13 459.4924927 0.07 465.5037842 0.11 466.1526489 0.07 467.9367676 0.07 469.0276489 0.59 470.8681641 0.11 471.5309448 0.05 472.8432007 0.21 474.2910767 0.09 480.9074097 0.06 482.0266724 0.08 484.1930542 0.06 485.2523804 0.27 488.4617310 0.14 493.2363281 0.09 495.4274292 0.03 496.6589966 0.19 498.4537964 0.17 499.4412231 0.03 500.1121216 0.17 501.4630737 0.06 502.3615723 0.26 507.4237061 0.35 510.3784790 0.11 512.1983032 0.51 513.2148438 0.36 514.3353882 0.38 518.0208740 0.20 520.8728027 0.09 528.1942749 0.64 529.3683472 0.20 530.3746948 1.23 531.0717773 0.27 531.9891357 0.04 533.3753662 0.24 534.2763062 0.04 536.3635864 0.32 541.3878784 0.16 543.3342896 0.13 544.2174683 0.05 545.0205078 0.04 548.0527954 0.07 549.9034424 0.04 551.8148804 0.14 553.3428345 0.13 556.9511719 0.03 560.6793823 0.18 561.7819214 0.11 566.3015747 0.97 567.2252808 0.44 569.1290894 0.07 570.3795776 0.04 572.2493286 0.33 573.2792969 0.11 574.5782471 0.09 577.7803955 0.05 580.3274536 0.04 583.4736328 2.00 584.2759399 6.35 585.2012939 1.40 586.7427368 0.22 588.3258667 0.99 589.0807495 0.27 590.1389160 0.60 591.2153320 0.12 597.5611572 1.71 598.5538940 0.14 601.3227539 7.65 602.2467651 2.10 609.0612793 0.06 610.0346069 0.11 612.8191528 0.09 617.2309570 0.78 622.2449951 0.21 624.9359741 0.03 627.7343140 1.49 628.4699097 0.38 629.5889282 0.18 630.9902954 0.51 632.2510376 1.20 632.9047241 0.53 635.4094238 0.31 636.5850220 1.06 639.5426636 1.97 640.4315796 0.23 641.1361694 4.06 642.2647705 0.30 643.5952759 0.59 645.7806396 0.73 646.3863525 0.14 648.4876099 0.06 649.6809692 0.05 654.0545044 0.66 655.2125854 2.55 655.9741821 0.23 657.6482544 0.20 658.8552856 3.72 660.0543213 0.50 661.3071899 0.12 662.0794067 0.39 662.9802856 0.67 664.0537720 0.51 665.3330688 0.41 667.4267578 0.59 668.2706909 0.41 669.3356323 0.94 670.5942993 0.23 672.3645630 6.84 673.4781494 4.45 674.5045776 0.85 675.3809204 0.65 676.4508667 1.34 677.1010132 0.04 678.4345093 1.66 679.1801147 0.98 681.3810425 1.29 682.3734741 2.52 690.6784058 0.09 698.5181885 0.34 701.8519897 0.50 709.8811646 0.85 711.5178223 0.16 717.3859253 0.29 718.8410034 0.71 719.6181030 1.01 726.5959473 0.10 730.6408081 0.08 739.2017212 0.20 744.6972046 8.15 745.4678345 0.14 752.3240356 0.62 753.1862183 1.07 754.4412842 0.30 755.2525024 0.09 757.8959351 0.06 758.6783447 0.13 760.6137085 0.31 761.2738647 0.13 762.3092651 1.15 762.9425659 0.17 765.2164917 0.05 768.5331421 0.12 770.2073364 0.33 773.7505493 0.25 775.3009644 0.13 776.1691895 0.22 777.0051270 0.99 777.7188721 0.06 778.4653931 0.04 779.6165161 0.99 780.3546753 0.07 781.8875122 3.95 782.7296753 0.39 783.3606567 0.20 784.3768921 0.08 785.7480469 3.39 786.4177856 0.97 787.7532959 18.48 788.6088257 0.07 789.8986816 0.19 790.8726196 0.52 791.6129150 0.21 793.5710449 0.09 795.5625610 0.14 796.2767944 0.13 797.4925537 0.02 798.5461426 0.09 799.8203125 0.18 804.0116577 0.27 805.7811279 1.47 806.9717407 0.10 808.5999756 0.05 811.5823364 0.23 815.2337646 0.14 816.8323975 0.13 818.8060913 0.42 822.0759277 0.14 824.6051025 1.91 825.2294312 1.50 826.7947388 0.13 829.0797729 1.16 829.7081299 2.37 830.8489380 19.17 831.8351440 0.34 832.7450562 0.13 833.4479980 0.58 834.4371948 0.86 836.6743774 0.07 837.8302002 0.41 840.2996216 0.62 840.9699097 0.16 842.4912720 1.47 843.2884521 1.60 844.2349854 0.15 845.6544189 0.41 846.5911255 0.47 847.4631348 0.08 848.7448730 0.72 852.4803467 5.83 853.7747803 0.89 854.4773560 100.00 855.4063110 2.38 856.5839233 0.72 857.5341187 1.15 860.1561279 0.43 861.5543213 0.74 863.6384888 0.03 868.2024536 0.18 871.1788940 0.16 872.2514648 0.22 876.2949829 0.24 878.8208618 0.08 880.1713867 0.16 882.1654663 0.21 884.5046997 0.32 885.4506836 0.09 891.3285522 0.83 892.7457886 0.36 894.4392700 0.06 895.1272583 0.04 897.3760376 1.18 898.7644043 0.06 901.8348999 0.08 903.1088867 0.72 904.5493164 0.54 909.5291138 0.10 913.1637573 0.27 915.6337280 0.44 917.6735229 0.04 925.0966797 0.16 925.7202148 0.22 934.5305786 0.02 936.5869141 0.30 937.2301636 0.09 940.4846802 0.05 941.7649536 0.03 948.7256470 0.33 955.5907593 0.10 956.5200806 0.09 958.6000366 0.27 959.3204956 0.04 961.6103516 0.10 962.5883789 0.22 964.4636841 0.83 965.9830933 0.17 966.6191406 0.10 973.4147339 0.15 975.6721191 0.58 976.3693848 0.04 978.3463745 0.02 980.2929077 0.12 984.5429688 0.41 987.2166138 0.19 988.0893555 0.12 1007.5996700 0.26 1008.2294920 0.03 1013.6806640 0.02 1016.8566280 0.07 1029.2705080 0.07 1037.5784910 0.39 1043.0162350 0.05 1048.3347170 0.10 1058.6535640 0.17 1059.8144530 0.03 1072.7854000 1.19 1073.6705320 0.62 1077.8763430 0.31 1078.8396000 0.13 1080.4289550 0.09 1090.8391110 0.10 1095.7072750 0.10 1097.7397460 0.25 1099.0982670 0.06 1104.1892090 0.13 1107.5351560 0.29 1108.7103270 0.36 1109.6781010 0.10 1114.1997070 0.04 1127.6539310 0.04 1128.5952150 0.21 1132.6021730 0.24 1133.5128170 0.45 1134.7856450 0.03 1137.3544920 0.06 1142.8305660 0.09 1169.1618650 0.28 1173.1362300 0.15 1173.8159180 0.48 1177.6710210 0.36 1178.5279540 0.42 1179.6945800 0.05 1181.6296390 0.33 1182.7990720 0.06 1188.7329100 0.08 1212.6657710 0.25 1215.9793700 0.06 1218.6672360 0.04 1224.0958250 0.17 1232.3999020 0.16 1235.3997800 0.03 1250.5399170 0.04 1252.3405760 0.08 1252.9489750 0.51 1253.6193850 0.45 1255.0599370 0.09 1294.4874270 0.11 1296.4504390 0.03 1318.6625980 0.05 1367.5122070 0.31 1368.7872310 0.13 1406.3736570 0.07 1423.9809570 0.05 1446.3901370 0.05 1480.0672610 0.09 1486.5473630 0.12 1528.7874760 0.16 1530.8514400 0.03 1553.8596190 0.06 1567.8929440 0.13 1580.4810790 0.12 1627.0329590 0.05 1696.5534670 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 701.193 Annotation Unknow Peak:m/z Relative Intensity 207.1485291 0.03 227.3341675 0.02 238.9386749 0.01 299.3013611 0.03 313.4546509 0.03 323.2548828 0.01 324.2567139 0.04 327.1550903 0.64 332.2170105 0.05 337.1438599 0.02 338.1555786 0.07 341.2379761 1.06 355.4346924 0.03 356.4157104 0.01 359.1386719 0.02 362.2058105 0.03 369.3176880 0.01 384.9682007 0.02 399.2120361 0.18 401.2843628 0.04 404.5316772 0.04 408.2874756 0.01 409.0084839 0.07 415.2382812 0.07 415.8602905 0.04 418.0832520 0.01 421.3923950 0.02 433.4107666 0.06 436.8897705 0.02 453.8806763 0.02 458.0081787 0.08 465.4122314 0.01 476.0136719 0.04 490.3720703 0.17 491.0714111 0.70 492.0642700 0.06 502.1006470 0.08 513.9368286 0.01 514.5426636 0.04 515.3709106 0.02 519.8883667 0.05 521.2862549 0.07 526.2246704 0.04 536.1790161 0.02 537.2354126 0.06 539.2022705 100.00 539.9508667 0.21 548.3418579 0.06 550.3161621 0.10 553.2214966 0.02 557.5172119 0.01 560.0657349 0.01 572.3346558 0.03 573.2390747 0.07 577.7048340 0.10 579.0253906 0.19 580.1409912 0.03 581.2932739 2.72 593.5805664 0.06 595.2804565 0.03 597.0249634 0.01 599.5300293 0.01 605.1896973 0.08 607.5142212 0.02 608.3846436 0.04 610.9120483 0.20 617.5015869 0.04 618.4406128 0.02 623.2908325 0.20 638.3892212 0.03 639.5651855 0.01 640.4356689 0.05 641.3105469 0.21 642.0026245 0.03 652.4205933 0.01 654.3663940 0.02 656.8878174 0.79 657.5459595 0.39 665.4609985 0.02 666.4320679 0.08 667.4794312 0.12 669.1605835 0.03 670.3412476 0.22 671.4953003 0.05 677.0320435 0.07 678.2458496 0.06 679.1653442 0.08 680.3918457 0.11 682.3300171 0.37 683.4260864 0.81 684.2716064 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 377.1067 Annotation Furaneol 4-(6-malonylglucoside) Peak:m/z Relative Intensity 108.8368530 0.63 110.9689560 0.94 119.1365356 0.11 120.0340881 0.12 126.8992310 4.18 128.9952393 100.00 129.8528137 0.18 131.1321564 0.54 132.8709717 0.45 138.2016144 0.47 139.0023499 0.10 144.0781860 0.38 144.9717560 0.40 155.0582275 0.19 157.1450806 0.80 161.2120361 0.09 162.1744843 1.54 163.1590881 0.19 170.8970337 0.09 173.0292969 0.52 175.0451965 0.27 176.0181732 0.13 180.8251038 0.50 182.3333588 0.13 184.8135529 0.09 185.9725800 0.18 187.0272522 0.23 188.0584106 0.15 189.2255859 0.40 189.9345245 0.07 192.9834290 0.48 194.7787323 0.12 199.8292084 0.26 201.1377716 2.77 203.3895416 0.14 213.0184937 9.31 215.2220764 0.43 217.3860168 0.49 222.9363098 0.18 224.7599487 0.13 226.3618469 0.55 229.6158142 0.26 230.9370117 20.11 231.7809448 0.29 234.2255859 0.11 237.1794434 0.41 239.7953796 1.70 243.1104431 0.50 243.8352966 0.11 244.9497375 0.79 248.9012756 0.94 253.9780273 0.12 256.2184753 0.09 256.9488220 0.72 258.1300354 0.09 260.6006165 0.13 263.2991638 0.44 268.9964600 0.34 270.1478882 0.24 273.3199463 0.70 286.2896118 0.17 286.9857483 0.27 288.3988953 0.10 291.2778931 0.39 292.3787842 0.13 296.1543579 1.36 297.1414185 0.25 298.2354126 0.45 302.1173096 0.71 304.0865479 0.54 305.2879333 0.22 306.4025879 0.14 310.6169128 0.54 311.9003906 1.53 312.8528137 0.76 316.0335083 0.09 319.2261658 0.36 324.8639221 0.83 325.5126343 1.01 326.6854553 0.78 330.8252258 0.07 331.7912292 0.15 336.5019226 1.01 338.6038208 0.79 341.0459900 50.74 341.8000488 1.22 345.9969177 0.25 347.3322449 0.09 349.9056091 0.33 352.0070801 1.04 353.2906189 0.20 358.3728027 5.67 359.1490173 7.56 359.8856812 0.20 361.7229309 0.34 364.1691895 0.87 365.2956543 0.15 366.2072754 0.36 367.5809631 3.95 368.2097168 0.77 368.8848572 0.08 370.4532776 1.82 372.1274719 0.17 386.4464417 0.09 389.3003845 1.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 764.2511 Annotation Unknow Peak:m/z Relative Intensity 230.8140259 0.20 243.3881989 0.18 259.0391541 0.17 269.7398071 0.08 270.9430542 0.28 275.2199097 0.10 276.5511475 0.15 287.0790100 0.56 289.9808044 0.04 295.0978394 0.08 305.0430908 0.43 308.2923889 0.18 311.3525391 0.21 312.2244873 0.14 313.1231995 0.24 314.0401611 0.23 315.1878662 0.17 323.0551758 1.25 325.3494568 0.13 328.1004639 0.07 329.1523438 0.06 329.9630127 0.91 337.2421875 0.16 341.1705933 0.68 342.3385010 0.17 345.3311768 0.10 347.0382690 0.21 353.2765503 0.05 355.1589355 0.23 357.9906616 0.18 365.3425903 0.31 371.4570923 0.08 375.1820068 0.13 377.1734619 0.22 382.5396729 0.12 383.2280884 0.16 384.1959839 0.09 398.3913574 0.34 404.9462891 0.33 406.1000977 0.09 414.0681152 0.18 416.2473755 1.82 422.1546631 0.29 427.3994141 0.17 431.3163452 0.11 434.2230225 1.14 435.1043701 0.83 436.3560791 0.05 437.0223389 0.21 440.0258789 0.55 441.5391235 0.06 452.1083374 4.17 454.8648682 0.47 455.4812012 0.78 459.3704834 0.17 462.4344482 0.06 468.1879272 0.08 470.2057495 3.14 473.0691528 0.98 475.3925171 0.67 476.7546387 0.12 477.4235840 0.15 478.1487427 0.10 482.1556396 0.25 485.2766113 0.32 486.2291870 0.31 487.9251709 0.14 491.5153809 0.04 494.2418823 0.17 497.4273682 0.09 499.4858398 0.11 503.3713379 0.73 504.4347534 0.09 506.2058105 0.58 508.4282837 0.39 510.2354736 0.12 512.0833130 0.17 513.4066772 0.57 514.1829224 0.53 522.1964722 0.12 529.5780640 0.25 530.3820801 0.46 531.3215942 0.30 533.4094849 0.73 534.5726929 0.08 539.9118652 0.13 543.2303467 0.20 548.0863647 3.48 548.7001953 0.25 555.5018921 0.25 558.5473633 0.11 559.6668701 0.25 560.5343628 0.14 561.4059448 0.16 566.1406860 3.90 568.5510254 0.07 569.6126099 0.34 570.8952637 0.06 571.9327393 0.14 578.2353516 0.44 581.7276611 0.04 582.9848022 0.13 584.2744751 18.62 585.2898560 0.13 586.7202759 0.09 588.3295288 0.11 589.5787964 0.33 590.3777466 0.45 593.1618042 0.63 594.3135376 0.49 598.0072632 0.17 602.2118530 100.00 603.1066284 0.03 604.1184082 0.14 607.4626465 0.41 608.4726562 0.22 610.3787842 0.25 612.9181519 0.26 614.3132935 1.00 615.8745728 0.27 617.5331421 0.17 623.7766724 0.05 626.6754761 0.31 627.4216919 0.16 628.2603149 0.12 629.6021118 0.55 632.1432495 1.94 632.8331299 0.55 633.8143921 0.26 635.1019287 0.20 636.7459106 0.13 644.1915894 0.69 645.3244019 0.04 656.4838867 0.11 657.2893677 0.21 658.1039429 0.07 661.4408569 0.86 663.9046631 0.12 664.8159180 0.15 666.9751587 0.28 669.2483521 0.23 670.4702759 0.20 671.7006226 0.16 674.2655640 0.41 675.5508423 0.47 678.0177612 0.39 680.0239868 0.32 682.0996094 0.13 685.4827881 0.29 689.6310425 0.13 690.3248901 0.22 691.2897339 0.05 693.0213013 0.11 694.7833252 0.66 695.5072632 0.17 696.5900269 0.26 699.6955566 0.27 701.1524658 0.49 702.0307007 0.45 704.2598267 0.88 706.7929077 0.30 709.9229126 0.83 710.6785278 0.30 711.8143921 0.33 714.6387329 0.26 717.3362427 0.11 717.9458008 0.29 719.5089722 0.46 720.2683716 0.38 723.1666870 0.21 728.2383423 1.73 731.3949585 0.43 732.0095825 0.11 733.4811401 0.04 735.1252441 0.84 737.0759888 0.48 738.5659790 0.34 739.8703003 0.74 740.9182129 0.47 742.2354736 0.78 745.1833496 0.62 746.2778931 7.82 747.2792358 0.05 747.9670410 0.21 749.2955322 0.17 752.2954102 0.51 753.8504028 0.06 754.7851562 1.00 759.3328247 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 593.1714 Annotation Unknow Peak:m/z Relative Intensity 188.9891663 0.07 189.9843292 0.42 191.1203156 0.06 204.9777222 1.20 205.9285126 0.30 207.0216675 0.30 208.1289368 0.23 221.1399841 0.29 221.9913788 0.20 223.0816345 14.14 247.1183624 2.46 251.1405182 0.54 265.1345520 7.53 277.1388550 0.22 279.0794678 0.05 289.2537231 0.04 291.7657471 0.09 293.2984009 0.19 295.1260986 3.63 306.2980957 0.05 307.2197266 0.42 308.3028564 0.08 322.2290649 0.17 325.2360229 7.49 331.2475586 0.06 337.3935547 0.05 340.1480103 0.05 349.2534790 0.08 355.0450439 0.43 359.1251831 0.22 366.2078857 0.10 367.0822754 0.33 385.1234131 100.00 397.4518433 0.25 398.9594116 0.38 403.3196411 0.07 408.3399658 0.35 413.1969604 0.28 426.0382080 1.18 427.0562134 4.73 430.8627319 1.25 431.5348511 0.11 439.3369751 0.12 450.1177368 0.14 456.7061157 1.27 457.3203735 0.64 471.0424805 0.12 472.4910889 0.11 473.1970825 0.18 474.6322632 0.78 477.3853149 0.58 481.5634155 0.08 485.1415405 0.15 486.4420776 3.01 487.2666626 0.54 497.1721802 0.24 499.2219849 0.18 503.5993042 0.33 512.2507935 0.13 513.2023315 0.40 515.1686401 0.13 517.5248413 0.07 524.9316406 0.35 527.8156128 0.12 528.8713379 0.28 529.7274780 0.05 533.1265869 0.54 534.1976318 0.05 538.6366577 0.26 542.6986084 0.41 543.5819702 0.13 546.9148560 50.03 549.2915649 0.62 554.4593506 0.50 557.4787598 0.57 558.1412354 0.07 561.3262329 0.42 562.4014282 0.06 563.4859009 0.38 574.0421143 0.41 575.2479248 1.45 578.2807007 0.30 584.4551392 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 523.7788 Annotation Dehydrocommersonine Peak:m/z Relative Intensity 163.0158386 2.66 181.0237122 0.22 199.1648102 0.43 211.3076019 0.11 213.1486816 0.24 214.1510010 0.22 221.3742676 0.11 230.9316101 0.14 255.0007935 0.24 263.4030151 0.25 273.1892090 1.59 274.2062378 0.71 279.2349243 0.40 280.3312988 0.42 281.1948242 0.69 291.0827026 1.12 297.9754028 1.55 314.3075562 0.53 327.3637695 0.16 331.3682251 0.18 339.5391846 0.49 362.3045654 0.34 379.5288086 0.12 383.1903076 0.29 384.3767700 0.40 386.2434082 0.42 388.9418945 0.35 404.3994141 0.73 411.4917603 0.40 417.3121948 1.49 419.0972290 0.39 420.0427856 0.12 420.8302612 0.13 423.2484741 0.81 440.0768433 0.30 442.7545166 2.21 445.2937622 13.78 456.8591309 0.43 458.3475952 0.88 462.8837280 0.32 477.3623657 1.64 486.3068237 15.24 487.1001587 0.46 490.2888794 0.20 497.2996826 0.53 499.0758667 0.09 500.4249878 0.16 501.9661865 0.34 505.4461670 1.62 506.2648315 7.10 514.8890991 100.00 516.0507202 1.56 542.4455566 0.54 548.6592407 0.29 555.2159424 0.43 562.9365845 0.78 567.2551880 0.16 584.3467407 2.62 585.4223022 0.28 588.3621826 0.52 602.4568481 20.46 640.0988159 0.11 641.4487915 0.59 643.4495239 0.93 653.1635132 0.83 653.8308716 0.10 664.5112305 0.18 668.4282837 0.23 690.5288696 0.28 693.5529175 0.34 697.8972778 0.15 698.6571045 0.24 727.0827026 1.12 731.2721558 0.64 732.2139282 0.71 735.1230469 0.50 738.6290894 0.64 749.5147095 4.32 756.5369263 6.34 806.8394165 0.15 825.0407104 0.89 840.6108398 0.45 866.2893066 0.13 869.3732300 0.50 884.4777222 21.59 885.1273804 0.28 1001.8075560 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 470.1581 Annotation Unknow Peak:m/z Relative Intensity 136.0032196 0.04 143.2217102 0.04 144.0374756 0.03 158.2133026 0.02 160.0517883 0.06 162.0017242 0.39 162.9650574 0.83 169.0755310 0.05 173.0680237 0.05 176.0253448 0.03 177.0888214 0.03 179.0753784 2.64 185.1934814 0.03 186.9745178 0.01 188.0284119 0.02 193.1873779 0.26 201.2210236 0.07 202.9648438 0.03 205.0688782 0.02 207.2173462 0.02 207.8352203 0.02 211.1217346 0.10 212.9120636 0.07 215.2340088 0.08 216.2719269 0.08 222.2608643 0.04 226.4321289 0.04 228.1520081 0.06 232.9622192 0.28 244.0683899 0.04 245.0339661 0.03 246.2387085 0.05 247.2316284 0.05 255.3519287 0.05 259.8892822 0.02 261.0768433 0.02 267.4514465 0.01 271.9775696 0.07 273.0371094 0.04 273.9982605 0.04 275.1179199 0.01 276.0221558 0.04 281.9653931 0.06 284.1505432 0.02 286.3723145 0.05 290.0203857 0.18 291.2810669 0.12 292.4124451 0.04 297.1463623 0.02 300.2170410 0.44 301.0421753 0.04 306.4272156 0.06 308.0762939 100.00 309.2265625 0.18 310.4011841 0.03 319.9863892 0.06 322.0568848 0.50 323.0851746 0.02 323.8682861 0.02 325.5977783 0.09 327.2069702 0.06 328.5273438 0.09 330.7720032 0.14 336.9604492 0.03 340.6835632 0.34 341.4440918 0.04 346.2122192 0.08 350.3958130 0.01 351.1212158 0.06 353.0917969 0.04 354.4384766 0.23 355.2810059 0.10 356.1675110 0.03 357.3010864 0.05 358.2625427 0.04 362.1741943 0.04 365.1956482 0.01 366.7964783 0.10 367.4557495 0.03 368.5452881 0.04 369.5342712 0.15 379.3297119 0.02 381.3802185 0.31 385.8342285 0.18 387.6010437 0.01 395.3340759 0.05 396.3062134 0.03 397.5456848 0.03 398.4098511 0.03 405.8223877 0.32 412.3658142 0.02 415.5066833 0.13 416.1501465 0.02 417.9961548 0.17 424.7891846 0.05 426.3105774 0.04 426.9982605 0.03 428.1793518 0.01 429.1656189 0.15 430.4007568 0.17 432.7664185 0.13 434.2314758 0.01 436.0287170 0.34 438.4496155 0.04 439.7009888 0.10 441.4760132 0.05 442.6278992 0.11 445.8995056 0.12 446.8952332 0.09 449.1902161 0.20 451.2877808 0.13 453.3314209 0.04 457.9568787 0.17 460.5030212 1.09 461.3937073 0.18 462.1513367 0.02 463.1964417 0.08 470.2853088 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 946.283 Annotation Unknow Peak:m/z Relative Intensity 682.3099976 1.08 686.3882446 0.49 734.3561401 0.60 744.4468994 0.69 754.6344604 0.19 763.1431885 0.17 771.9940796 0.75 778.2526245 0.89 794.0379028 0.25 800.4389648 0.37 808.4387817 0.58 825.0167847 0.17 825.7117310 0.18 836.3131104 100.00 838.1947632 0.56 839.2769775 0.64 840.1898193 0.48 841.1918945 0.48 842.3901367 0.09 845.0433960 0.20 848.2817993 0.09 861.9161987 2.26 864.2608032 5.08 864.9697876 2.86 873.4143677 2.11 880.8786011 0.49 899.8896484 0.95 924.5147705 0.13 1123.0922850 0.21 1125.2758790 0.07 1266.4411620 0.70 1268.4515380 0.36 1284.4407960 0.17 1325.6788330 0.52 1326.3604740 0.13 1430.6323240 0.82 1469.4492190 1.29 1470.8841550 0.47 1487.4083250 2.16 1615.7325440 0.13 1633.5676270 37.92 1634.6761470 1.14 1688.4312740 0.29 1689.6634520 0.43 1691.0450440 0.33 1852.6029050 0.67 1854.1922610 2.15 1855.1566160 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1291.5964 Annotation Unknow Peak:m/z Relative Intensity 399.5075073 0.01 407.0067444 0.12 415.8547974 0.01 425.6558533 0.04 443.5919800 0.04 453.7039185 0.03 467.1554565 0.54 468.1520386 0.01 485.3923950 0.17 487.4552002 0.20 488.4895630 0.06 502.3614197 0.03 527.2789917 0.01 557.6549072 0.01 575.5560303 0.03 576.3582153 0.02 583.6752319 0.04 586.8426514 0.01 601.5283203 0.62 609.8831787 0.02 615.4848633 0.10 617.6710205 0.04 619.5075684 2.91 620.5986938 0.21 625.6378174 0.02 629.2107544 0.31 633.5524902 0.13 641.2255859 0.03 643.5823975 0.10 644.5214844 0.06 647.2486572 0.05 657.5921631 0.09 661.4295654 6.46 662.4670410 0.50 671.5279541 0.01 673.5676270 0.07 675.3736572 0.08 676.5341187 0.03 683.6281738 0.02 685.5086670 0.05 689.4232178 0.02 699.5406494 0.01 703.4100952 1.03 704.2382812 0.09 715.4417114 0.12 716.8105469 0.04 719.2806396 0.01 727.4478760 0.11 729.6574707 0.03 734.7118530 0.01 743.3296509 0.01 745.5180664 0.21 761.6559448 0.03 763.4919434 2.66 764.5216064 0.24 781.5502930 14.45 782.5653076 0.98 804.7804565 0.03 805.4040527 0.49 806.7449951 0.02 821.8608398 0.09 823.4658203 100.00 824.4517822 5.43 825.1718750 0.01 845.6950684 0.02 847.4802246 0.01 863.5928955 0.09 865.4686279 2.52 866.6606445 0.06 877.5269775 0.03 905.5816650 0.25 906.5416260 0.01 907.4873047 0.10 908.6915283 0.01 925.6590576 0.02 933.5375977 0.04 949.8559570 0.05 959.9864502 0.01 967.8063965 0.01 1006.1146240 0.01 1024.6484380 0.02 1026.9265140 0.01 1086.9584960 0.02 1105.5095210 0.01 1111.0825200 0.03 1129.5667720 0.03 1147.1594240 0.29 1147.9476320 0.03 1148.6589360 0.01 1161.1453860 0.07 1187.7792970 0.03 1189.3771970 0.07 1222.4425050 0.01 1229.0291750 0.07 1230.1701660 0.03 1231.5219730 0.10 1242.9997560 0.03 1247.8596190 0.02 1259.5172120 0.03 1261.0251460 0.03 1261.7037350 0.06 1266.3990480 0.04 1270.3879390 0.05 1273.0666500 0.04 1273.7348630 0.05 1274.3735350 0.02 1275.1741940 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 532.8747 Annotation Unknow Peak:m/z Relative Intensity 158.8232574 0.11 174.9602661 1.11 198.8502045 0.08 216.8719025 0.05 229.0883179 0.04 245.0280914 0.55 261.0258179 0.09 273.0423584 1.50 273.9609375 0.32 289.0768738 12.53 303.6577759 0.11 304.9964600 3.88 386.9843750 1.34 388.1495972 1.70 402.9439087 6.44 418.8904419 100.00 419.5007935 0.20 459.0558472 0.39 460.0131836 0.03 461.0678101 0.03 485.8309937 0.05 486.6627808 0.16 487.2844849 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 846.4197 Annotation Unknow Peak:m/z Relative Intensity 245.0700378 0.08 251.1301270 0.04 254.0010681 0.03 261.0513000 0.03 264.2714233 0.01 277.2732239 0.04 292.3475342 0.04 299.2060852 0.05 304.1799316 0.03 306.5135498 0.01 308.2519226 0.02 311.3210754 0.11 313.3172607 0.14 329.0599670 0.05 330.3964233 0.13 341.1654968 0.04 343.3208618 0.49 344.1192627 0.07 361.1619263 0.50 363.2312012 0.14 364.1990356 0.05 371.4203491 0.02 380.2053223 0.06 384.0307617 0.05 391.4113770 0.17 392.3128662 0.04 396.4118652 0.18 397.4857178 0.05 398.4501953 0.04 399.4142456 0.07 402.4302979 0.04 407.1633911 0.04 408.0072632 0.43 409.4480591 0.24 418.9799805 0.02 426.3970947 0.24 433.3942261 0.02 436.3637085 0.06 444.1705933 0.13 451.2425537 0.19 452.1593628 0.03 458.4359741 0.03 460.1738281 0.05 461.0979004 0.04 462.3130493 0.04 466.2427979 0.10 470.3885498 0.18 479.2221069 0.03 481.5048828 0.03 483.3985596 0.15 495.6194458 0.05 497.2697144 0.03 506.2192383 0.44 507.3750610 0.17 520.2968750 0.04 524.4279785 0.31 525.2676392 0.01 530.4210205 0.03 538.2596436 0.07 539.4450684 0.03 541.2791138 1.07 542.4824219 0.16 556.7537842 0.07 560.5604858 0.02 561.3848877 0.07 571.7055664 0.02 578.2882690 1.03 579.6906738 0.19 580.3900757 0.26 581.4167480 0.05 590.5166626 0.04 596.3822632 0.84 597.4460449 0.36 601.4301758 0.04 607.6323853 0.09 608.9340210 0.09 610.3912354 0.05 614.5567017 0.03 618.9067993 0.07 621.8927612 0.18 624.5145264 0.02 626.2635498 0.03 627.4048462 0.29 629.4317017 0.02 630.0704346 0.02 631.9671021 0.06 632.7720337 0.03 636.7337646 0.10 637.5053711 0.16 639.2557983 0.39 640.3002319 0.06 641.7272339 0.02 642.9793091 0.11 645.5421143 0.74 646.6076050 0.17 648.3878174 0.03 649.0848999 0.02 653.7789917 0.53 654.4524536 0.32 655.1909790 0.04 657.4357300 0.05 659.2051392 0.09 659.9185181 0.04 663.2862549 0.04 664.4544678 0.02 665.5145874 0.15 666.6372070 0.68 667.7216187 0.21 671.9201660 0.02 672.5272827 0.24 673.3393555 0.08 675.0767822 0.24 676.4645386 0.29 679.8540649 0.12 681.3338623 0.89 686.1138916 0.89 686.9230347 0.07 688.5682983 0.05 692.4116821 0.02 693.8597412 0.21 695.1964722 5.69 696.3021851 0.19 697.8716431 0.06 699.6203003 0.07 700.5490723 0.09 702.5691528 0.08 704.9183960 0.08 707.6550903 0.02 711.3407593 0.64 712.5773926 0.25 713.2390137 0.14 714.3893433 0.02 715.0789185 0.04 716.4714355 0.32 717.2160034 0.82 721.4043579 1.96 722.0115356 0.90 722.7512817 0.17 727.1714478 0.31 728.5901489 0.11 730.6640015 29.01 731.5033569 2.99 732.3727417 0.44 733.7239380 0.21 734.8182983 0.10 736.6236572 0.22 737.7955322 0.03 740.0966797 0.10 742.6372681 0.07 744.4782104 0.49 745.2568359 0.78 749.4829712 0.03 751.4124146 0.30 752.7463989 3.48 753.5026245 1.48 754.1225586 0.14 755.4137573 0.14 757.4843140 0.27 758.5161743 0.18 759.6845093 0.12 761.6901855 45.18 762.5369263 5.02 763.4465942 0.79 764.6377563 0.43 765.9876099 3.73 766.6665649 3.23 767.9868164 0.20 769.1365356 0.52 769.9120483 0.26 771.1732788 9.60 772.1931763 0.91 773.2772827 0.14 774.8615112 0.05 777.5418091 0.10 778.7989502 0.02 780.1516724 100.00 781.0859985 9.72 782.2888794 0.83 783.5796509 0.45 784.5662231 0.05 786.0637817 0.29 786.8361206 0.15 787.9620361 0.08 792.0678711 0.11 793.9235229 0.50 795.4925537 1.22 796.4675293 0.54 797.5209351 0.05 800.1658325 0.14 802.8534546 0.10 806.2843628 0.11 807.6405640 0.47 808.3361206 0.10 809.0548096 0.06 810.0638428 0.05 813.0312500 0.13 814.4585571 0.30 815.7005615 0.02 821.7398071 0.29 822.5394897 0.14 825.8648682 0.11 828.8485718 0.68 829.5816040 0.20 830.6451416 1.90 832.1160889 0.06 832.7745972 0.13 837.6779175 9.13 838.6638794 0.66 839.4342651 0.02 844.6192017 0.08 849.8442993 0.01 854.6990967 0.15 860.8609619 0.05 866.3008423 0.02 873.5506592 0.04 877.8493042 0.42 879.0802002 0.27 880.4747925 0.04 883.6089478 0.37 884.5518188 0.06 885.7546997 0.06 891.7578125 0.07 892.5822144 0.03 893.5626221 0.04 895.9668579 0.03 897.4722290 1.05 898.4352417 0.19 901.3023071 0.01 904.5020142 0.14 906.9975586 0.09 908.8200073 0.47 911.5187378 0.02 914.4524536 0.14 919.7475586 0.11 920.5801392 0.10 935.5523071 0.18 937.4951782 0.22 938.3505859 0.41 951.0668945 0.08 952.3278198 0.06 954.9887085 0.06 955.9965210 0.10 962.5842896 0.06 963.5668945 0.35 964.4443970 0.05 965.6228638 0.11 971.4697266 0.08 973.8234863 0.06 974.4703979 0.01 979.3073730 0.25 980.3854370 0.07 981.5627441 1.06 982.6074219 1.01 983.5343628 0.19 986.7467651 0.03 987.6936035 0.03 990.3897095 0.27 992.6555176 0.07 994.8644409 0.06 998.5847168 0.26 999.7175903 0.29 1000.5234990 0.04 1004.7711790 0.08 1007.6720580 0.11 1010.6011350 0.02 1014.7565920 0.31 1015.4880980 0.04 1016.6594240 0.01 1018.0798950 0.22 1018.9407350 0.29 1019.7129520 0.32 1022.6854860 0.13 1027.7312010 0.14 1034.5941160 0.04 1037.3569340 0.06 1039.5137940 0.05 1042.3677980 0.24 1043.6713870 0.08 1044.8020020 0.01 1046.6149900 0.12 1047.4782710 0.06 1049.3908690 0.02 1053.6386720 0.89 1054.5340580 0.69 1055.6242680 0.09 1060.9453120 0.28 1062.2036130 0.08 1065.8813480 0.08 1067.2556150 0.07 1070.6164550 0.12 1073.0360110 0.20 1076.4716800 0.03 1078.4567870 0.17 1079.7871090 0.04 1080.6682130 0.02 1083.4339600 0.04 1094.8295900 0.03 1096.6342770 2.28 1097.7800290 1.11 1098.7764890 0.12 1103.7824710 0.05 1107.4775390 0.14 1108.8098140 0.03 1110.0891110 0.07 1111.0725100 0.06 1115.8811040 0.02 1117.7651370 0.04 1119.0844730 0.15 1120.6828610 0.06 1126.5112300 0.06 1132.2781980 0.13 1133.5198970 0.22 1134.7553710 0.28 1135.5676270 0.14 1136.6109620 0.03 1145.7795410 0.12 1146.5588380 0.10 1148.4113770 0.11 1150.0407710 0.06 1150.6569820 0.05 1152.8879390 0.04 1158.8393550 0.05 1161.6330570 0.31 1162.3958740 0.02 1163.8316650 0.18 1164.7355960 0.22 1168.7532960 0.96 1169.7440190 0.65 1170.7987060 0.12 1176.6123050 0.13 1185.4929200 0.09 1187.0727540 0.26 1187.9267580 0.04 1201.9515380 0.02 1204.1641850 0.04 1207.5767820 0.02 1209.5622560 0.25 1210.8281250 0.34 1211.6068120 0.20 1212.5175780 0.07 1216.6625980 0.09 1218.1298830 0.14 1218.8890380 0.08 1219.6861570 0.09 1229.6035160 0.01 1230.7164310 0.01 1232.5831300 0.04 1233.6271970 0.02 1234.2282710 0.05 1235.4788820 0.02 1242.6564940 0.01 1243.4865720 0.06 1246.6768800 0.11 1257.7269290 0.08 1271.5931400 0.09 1272.8232420 0.11 1278.6162110 0.17 1286.7252200 0.12 1287.4351810 0.06 1289.6993410 0.45 1296.7215580 0.57 1297.7323000 0.32 1298.7097170 0.04 1300.4722900 0.03 1304.6420900 0.06 1306.5944820 0.02 1313.6513670 0.08 1316.0911870 0.09 1316.7719730 0.20 1318.0885010 0.03 1329.8870850 0.06 1331.0653080 0.17 1331.6699220 3.16 1332.7022710 2.05 1333.6578370 0.69 1335.2718510 0.38 1343.5994870 0.06 1345.2286380 0.02 1345.8861080 0.02 1346.9976810 0.02 1353.9544680 0.04 1360.7464600 0.03 1361.4866940 0.05 1362.2276610 0.13 1371.7575680 0.04 1372.5526120 0.16 1377.5207520 0.07 1388.6378170 0.66 1389.9083250 0.85 1390.8520510 0.24 1392.0773930 0.02 1407.9266360 0.05 1409.0510250 0.17 1416.0438230 0.03 1424.7027590 0.15 1425.9340820 0.02 1431.6807860 0.04 1441.4858400 0.21 1443.0897220 0.14 1443.8583980 0.02 1444.6676030 0.04 1447.9093020 0.08 1453.0523680 0.04 1459.7286380 4.96 1460.7944340 3.99 1461.7819820 0.96 1462.3958740 0.07 1482.7260740 0.02 1489.0018310 0.02 1489.8616940 0.02 1503.7132570 0.01 1521.6756590 0.54 1522.9851070 0.19 1541.5107420 0.07 1551.4884030 0.08 1558.7266850 0.65 1559.7254640 0.30 1560.5457760 0.09 1561.1480710 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 428.25 Annotation Lasiocarpine N-oxide Peak:m/z Relative Intensity 127.0995636 0.15 129.0743561 0.37 134.9005432 0.06 135.9518433 0.51 141.0788727 0.35 143.0160065 0.53 144.0000763 3.87 149.1974945 0.10 152.0201263 1.54 160.9611816 5.85 162.1103821 0.51 163.0187073 0.13 163.9508820 0.16 168.7609558 1.61 171.0884705 0.31 172.0713196 0.17 178.9874878 1.49 180.0312805 0.10 180.9425964 0.63 183.0595398 0.10 184.9590302 0.60 186.0665894 0.28 186.8544006 0.34 188.3977966 0.06 189.0859985 2.44 190.1998596 0.07 191.0584106 0.13 192.6745758 0.24 193.6473389 0.17 197.1717224 0.18 198.0394135 0.19 201.0699158 1.64 203.0993958 3.88 205.1780396 0.06 206.9826965 0.05 209.0796661 0.40 211.2287903 0.53 217.2355652 0.42 218.0095673 0.26 219.1656342 0.31 220.7862091 0.04 225.6067200 0.52 226.2529907 0.60 228.1189117 0.30 229.3050842 0.45 229.9757233 0.21 232.6334839 0.38 234.2547302 0.73 235.3455811 0.66 237.3136597 0.57 238.2438660 0.09 238.9579773 0.22 239.7677612 0.19 241.0914917 1.37 242.5992432 3.11 243.3414612 2.08 244.2290955 1.13 245.1161194 0.16 247.7562256 1.18 248.9537354 1.63 250.9179077 1.20 251.7764893 19.70 253.2216187 0.20 254.3714294 0.07 256.7259521 2.16 258.1466980 100.00 259.1821899 3.12 260.2623291 6.08 261.5565491 0.39 263.1929626 0.29 265.0013733 0.79 265.6940613 4.03 266.7924194 0.58 268.3082886 1.25 269.2169495 0.29 269.9545898 0.29 270.5619507 0.23 274.3342590 0.05 274.9695435 0.07 280.2307739 0.26 285.9854736 0.21 288.1476746 0.06 292.2492065 0.53 293.2442627 0.22 294.1271973 0.12 296.3544312 0.15 297.1645813 1.39 298.9538269 6.20 300.7489319 0.32 302.0867004 0.71 303.4181519 0.11 305.2128296 0.82 306.9741821 0.32 308.0629883 0.92 309.3042603 0.44 310.2079773 0.90 311.2238464 0.19 313.0523682 0.29 314.1595154 1.40 316.3093262 0.07 318.9865112 0.17 320.0278931 0.08 322.0178223 0.13 322.6327515 0.18 324.1391296 0.16 331.5118408 0.37 332.9722290 0.18 334.5593872 0.04 336.9772644 0.60 338.2326050 0.24 339.4530945 0.72 340.3015747 0.30 343.8673706 0.19 348.3402100 0.58 353.1346436 1.17 353.9164429 0.57 356.2676697 1.29 357.3203430 2.34 359.1824036 0.28 360.1572876 0.99 361.0207825 0.14 361.8360596 0.24 365.4403992 0.62 368.5971985 1.13 369.4870300 0.18 376.0348206 0.85 378.4054565 0.21 379.0289307 0.35 380.0086060 0.76 381.1936646 0.11 382.0670776 0.13 383.4056091 0.10 385.1716614 0.93 386.9699097 0.12 388.2752991 0.95 389.9417419 1.21 390.9884949 1.14 391.8809509 1.25 393.2695618 0.62 394.3650818 17.75 395.0953369 0.02 396.0188904 0.41 396.7384033 0.37 397.6436157 1.18 399.4013367 0.13 403.4226685 0.23 404.5541382 0.17 405.4900208 0.19 407.2698975 0.07 408.4633484 2.66 409.1941833 1.85 410.3830261 18.48 411.3471985 4.73 412.5121155 0.64 413.3498230 1.18 414.1504211 0.10 415.1962280 2.69 416.4637451 2.12 417.2206116 0.30 418.5728455 3.47 419.4391785 75.58 420.4926453 0.65 421.3221130 0.59 421.9226990 1.50 422.5230103 0.13 423.6380920 0.76 424.6930847 0.18 427.9967957 0.12 433.6724548 0.69 435.7627258 0.62 437.6473389 0.41 438.7912292 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 614.3514 Annotation Unknow Peak:m/z Relative Intensity 185.2369080 0.26 207.0756531 0.59 216.3154907 0.12 227.7378693 0.12 231.0437622 0.06 235.0200500 0.91 240.0969238 0.17 258.3249512 0.27 280.4858398 0.12 300.0798950 0.11 302.4543457 0.03 303.1552734 0.08 310.1715698 0.04 314.4840698 0.07 318.1683350 0.74 329.3455811 0.10 330.2555542 0.88 331.0837402 0.10 355.6481934 0.04 361.4774780 0.31 363.7867432 0.23 365.5026855 0.04 369.4078369 0.21 386.1183472 0.05 387.4732056 0.10 392.1973877 0.37 394.3454590 0.03 405.2382202 1.20 406.1204834 0.29 409.3200684 0.16 412.5012207 0.14 427.3787231 4.86 428.2598877 0.76 431.2027588 0.24 432.2032471 0.04 433.2587280 0.07 440.2952881 0.03 444.8492432 0.20 447.3654785 0.23 448.1900635 0.13 449.6411743 0.48 453.0747681 0.16 456.0737915 0.05 458.4068604 0.10 461.0690918 0.07 462.5018311 0.09 468.3151245 0.10 470.3793945 3.18 471.5531006 0.22 472.4151611 0.19 476.3384399 0.04 478.6219482 0.19 482.4534912 0.16 484.1696777 0.29 485.0675049 0.13 488.2326660 0.62 489.3930054 0.19 490.5214233 0.06 492.5466309 0.27 494.9757080 0.31 496.3027344 0.21 498.2800903 1.02 499.1118774 0.09 504.3418579 0.05 505.2529297 0.27 506.3114624 1.85 507.4609985 0.28 508.6032104 0.04 511.4509888 0.14 517.1217041 0.10 518.2755737 0.07 519.4727783 0.31 524.3612671 97.32 525.4497681 21.25 526.4972534 0.68 530.3480835 0.29 531.3700562 0.03 538.9652100 0.06 539.5775146 0.38 541.0480347 2.04 541.8771362 0.15 542.8630371 0.32 544.0037231 0.59 545.2221069 0.08 546.3138428 0.08 548.4967651 0.12 551.0747681 0.52 555.0432129 24.92 556.1046753 0.34 557.3386841 0.04 558.8698120 0.32 559.5718994 0.42 562.9335327 0.20 567.1817017 0.13 568.4121094 0.98 569.6005249 0.19 570.9913940 0.27 573.4730835 0.17 574.5602417 0.29 576.9822998 0.23 579.6223755 0.21 581.2547607 0.20 583.8463745 0.33 584.9545288 0.32 585.9046631 0.11 586.5762329 0.47 587.6015015 0.06 589.1431274 0.32 591.3686523 4.62 592.5399170 1.66 593.6402588 1.16 594.6700439 0.17 596.2777710 1.10 597.0591431 1.27 598.8551636 0.06 602.4658813 0.31 605.3756104 5.19 605.9906616 1.79 606.6123047 0.23 626.6245728 0.42 633.6918945 0.04 637.4302368 5.57 638.6010132 1.69 639.3547974 1.83 640.6588745 0.62 646.4202881 0.15 648.1989136 0.20 652.5523071 0.23 655.1660156 0.06 657.5227661 0.12 659.5617065 0.03 670.3966064 0.19 672.3222656 0.31 676.2399292 0.18 678.1484375 0.04 684.3742065 0.17 686.5453491 1.02 687.4708862 0.30 688.2472534 0.22 702.1379395 0.18 704.4262085 100.00 705.4306030 30.36 706.3764038 0.69 717.3192139 1.46 720.2868042 0.33 730.5067749 0.04 734.2897339 0.22 736.6397705 0.19 737.3519287 0.08 740.6967163 0.16 741.7493286 0.91 742.4070435 0.07 746.6034546 0.15 753.4938354 0.17 755.5905151 0.08 756.3144531 0.41 761.9830322 0.27 763.9198608 0.41 765.0560303 0.34 765.7139282 0.23 766.4511108 0.17 767.8320923 0.24 770.8685913 0.34 777.2971802 0.11 778.5261841 0.21 779.1486816 0.99 780.4082642 0.33 781.4072266 0.33 789.0197144 0.10 790.5822144 0.19 797.6213989 0.25 798.4547729 0.50 799.5462036 0.30 801.5272827 5.70 802.4454956 1.44 805.4093628 0.35 806.7131958 0.22 808.5265503 0.03 815.6809692 0.37 819.2223511 0.04 820.5667725 0.30 829.5263672 0.23 837.3567505 0.13 838.5560913 0.19 840.0331421 0.25 848.0490112 0.54 853.6084595 0.11 855.2898560 0.22 861.9089966 0.08 865.4141235 1.01 866.4286499 0.26 868.8573608 0.16 874.6013184 0.04 876.2785645 0.21 893.6543579 0.58 894.6680298 0.17 898.5266724 1.15 899.9491577 0.11 911.5485229 0.54 918.0361938 0.38 927.3567505 0.14 945.6801758 0.13 962.6845703 0.08 964.6449585 0.23 970.8685913 0.06 971.6366577 0.19 975.5574341 0.17 993.6452637 4.83 994.6237793 0.84 996.0603638 0.17 996.6814575 0.09 998.1431274 0.15 1007.8113400 0.07 1062.5217290 0.05 1077.8522950 0.07 1081.6735840 0.06 1108.9243160 0.14 1109.7999270 0.19 1123.6618650 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 337.0756 Annotation Unknow Peak:m/z Relative Intensity 96.8627319 3.49 98.9293518 0.61 108.8896027 0.71 109.9210587 0.19 110.9573975 0.04 115.0762558 0.20 116.1172256 0.12 116.7786255 0.06 119.8812714 0.13 122.1394043 0.09 122.8194122 0.07 126.9624481 16.89 127.9105835 0.20 128.9062958 3.18 129.8538208 0.24 130.9856567 0.19 134.0711517 0.06 138.9178467 0.31 144.4412842 0.64 145.0472717 7.98 146.9459839 6.78 147.9249420 0.07 156.8775330 2.34 161.1411743 0.11 162.8377380 1.07 164.2798462 0.19 170.1970215 0.08 172.9192352 0.24 174.3549957 1.58 174.9564209 17.02 192.8817139 25.73 195.0307770 0.08 201.0800629 0.10 202.2380981 0.13 204.0444336 0.18 205.3673096 0.18 217.2299805 0.82 218.0991821 0.52 223.2903748 0.08 231.2372742 0.08 237.0755920 0.52 242.4802551 0.09 245.1486206 0.10 246.6315002 0.32 248.9854736 0.04 253.1489868 0.32 254.9581299 5.39 256.1926880 0.06 259.0535278 0.22 263.1417236 0.13 270.2141418 1.34 271.0644531 0.17 272.3995056 1.30 273.0071106 11.96 273.7413330 0.18 274.7509766 0.21 276.8496094 0.27 282.8973694 5.59 289.0918274 1.03 290.9153442 13.55 291.5848389 0.03 293.4269409 0.19 300.4080200 3.72 301.0612183 31.42 308.7464600 0.07 319.0219421 100.00 320.1880188 0.44 327.7922974 1.05 328.5860291 0.33 336.6145325 0.07 337.5666199 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 967.42 Annotation Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg Peak:m/z Relative Intensity 884.5682983 18.66 949.2443848 76.36 967.4363403 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 440.1017 Annotation Unknow Peak:m/z Relative Intensity 124.1371231 0.05 125.1260757 0.05 127.3310623 0.03 152.0335999 2.09 168.0539551 2.84 169.9474487 0.21 186.0827637 0.05 195.9695435 46.99 202.0833130 3.51 214.0449219 1.50 225.1292877 0.04 229.9824219 2.80 248.1196289 2.41 277.1776123 0.03 300.1973267 0.39 316.5939331 0.04 330.3502197 0.08 334.2879028 0.83 347.4401855 0.19 352.4010315 0.10 378.1822205 3.46 392.8861389 0.03 393.9917908 0.79 402.4167480 0.07 422.0933838 100.00 422.7557678 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 544.5131 Annotation Unknow Peak:m/z Relative Intensity 155.0407104 1.34 155.8559875 0.10 162.2770996 0.25 167.9969177 0.07 171.1640930 0.12 173.2217102 0.48 196.9838715 1.59 199.0162354 0.10 210.7930603 0.09 212.3776550 0.10 214.0144653 0.32 215.0733337 1.81 216.2380371 0.12 217.5760956 0.31 223.2121277 0.25 225.1282501 0.76 227.2247925 1.28 228.3636169 0.43 237.1335144 0.56 243.1732483 1.64 244.2279968 0.22 244.9899902 1.17 246.2713623 0.21 254.0149689 0.11 255.2282257 0.92 255.9478302 0.59 257.0588074 0.18 262.4289551 0.13 266.2924194 1.15 273.2258911 2.49 274.2719727 0.11 275.3377380 0.25 283.1617432 0.29 284.1558228 6.55 285.1336670 0.86 286.2722778 0.56 291.0929260 1.04 294.0269470 0.98 299.2073364 0.18 300.2379150 0.32 301.0704956 0.53 305.3204346 0.08 306.0357666 0.08 310.7629395 0.29 313.3125000 0.07 321.2882690 0.07 324.6328735 0.27 328.0977783 0.48 344.4608154 0.07 351.3630371 0.83 352.5130615 0.77 353.3477173 0.49 354.3869019 0.11 358.0098877 0.39 361.7257080 0.44 365.5372925 0.56 366.6356201 0.41 367.4088135 0.64 369.2238159 5.77 370.1618042 0.15 375.0324097 0.13 375.9519043 3.38 376.9854736 0.20 378.9351807 0.16 380.0177612 1.04 380.6520386 1.97 381.2720337 1.35 382.1521606 1.15 383.5555420 0.27 384.4921265 0.66 388.1317139 0.16 390.0488281 4.91 390.6909180 0.31 391.9866333 0.30 397.0610962 3.66 398.2474365 0.63 407.0584717 0.16 411.3991699 0.14 412.8427124 1.00 414.7326050 0.15 415.3557739 0.24 417.1066284 0.52 420.0847168 1.77 425.3342285 0.25 430.1425781 0.39 431.4462280 0.13 435.4450684 0.53 436.9385376 0.36 439.1193237 0.88 439.8717041 0.93 440.8802490 0.27 441.5463257 1.48 442.3637085 0.19 444.0697632 0.17 445.4046021 4.10 448.1781616 1.42 452.5371094 0.31 453.6076660 0.11 455.9505005 0.12 457.8439941 0.19 460.1426392 3.08 467.0380249 3.07 469.0852661 0.58 470.0502930 0.15 471.9547119 2.12 478.1359863 0.36 479.1036987 0.21 482.5321045 0.14 484.1753540 0.66 485.3467407 10.95 486.5590210 0.48 489.3559570 0.57 490.5035400 1.68 492.4408569 0.43 495.2333374 0.40 496.5063477 0.50 497.4993896 1.69 498.5132446 1.15 500.0508423 4.70 502.0899658 0.90 503.0415649 1.49 504.7228394 9.44 506.9476929 1.78 508.2525024 0.78 509.1324463 0.32 510.3270874 0.77 511.9570923 1.37 512.7518921 3.26 515.8610840 0.76 521.5803223 1.16 526.1494751 3.70 527.5189819 1.71 528.4743042 0.39 530.5350952 28.59 532.2385864 2.52 533.2496948 1.02 533.9579468 0.19 535.1751099 4.72 536.0822144 6.67 536.9130249 5.05 537.9066162 0.71 545.3694458 0.49 553.1253052 0.43 555.9094849 0.35 558.5170288 1.42 561.4185181 2.40 563.7073975 0.14 564.9674072 4.36 568.9680786 0.30 569.8836670 0.21 570.4902344 0.30 572.3026123 0.27 573.4783325 0.06 577.9552612 1.05 578.6833496 0.97 581.5807495 0.66 583.3609009 2.82 584.8596802 0.34 587.8502808 10.54 588.4717407 1.49 589.9553833 0.48 591.0422363 0.70 592.9070435 0.62 593.9982300 100.00 595.3092651 1.28 596.1081543 0.90 597.6738892 0.27 598.4743042 0.95 601.1973267 1.16 604.6980591 1.21 606.0504150 1.12 606.7723999 0.13 609.9259644 2.11 611.4089966 0.96 614.9055786 2.88 619.2468872 3.96 620.3881226 1.46 621.3403320 1.30 622.8947144 1.00 623.7763062 0.92 624.5646973 2.29 625.4550171 3.01 626.1094360 0.99 628.8512573 2.68 629.6013184 2.25 631.6470947 58.05 632.6859741 0.86 633.8071899 1.23 635.7634888 0.71 637.9669800 2.23 639.0812378 0.31 641.2150879 0.19 642.2098999 0.39 644.4523926 0.35 647.8760376 3.39 648.5702515 3.92 651.2048340 0.29 652.4430542 0.10 653.0651245 0.12 653.7987061 2.95 655.7992554 0.21 656.7444458 0.82 657.8280640 2.83 658.5792847 0.18 659.2998657 0.45 660.5823364 5.87 662.5978394 8.91 663.2268066 2.39 664.1920776 0.43 665.3107300 1.23 666.2563477 5.52 667.1098022 0.39 668.7263794 81.96 669.5763550 1.16 670.3807983 0.77 671.6408691 1.83 672.4067383 45.72 673.2022095 1.10 674.6382446 60.13 676.0889282 1.36 676.9774780 1.13 678.2907104 0.74 680.0122681 1.16 680.6652222 0.32 682.9367065 1.34 684.1011353 0.59 687.4198608 0.47 688.3104858 0.53 690.5616455 3.14 691.5545654 0.49 696.2042847 2.57 696.8099976 0.81 699.6815186 36.08 700.7977905 1.18 701.6390991 1.41 703.1430054 0.52 704.5505981 4.57 705.3812866 0.91 707.1118774 1.30 715.4440918 0.64 724.5418701 0.20 725.3923340 0.10 734.6647339 0.17 736.5244751 0.30 738.1622925 0.46 738.8322144 0.32 741.6631470 0.47 742.6162720 1.13 744.8910522 1.97 745.5963135 1.48 746.4495850 0.10 748.9476318 0.40 751.9705200 1.90 752.6970825 0.19 753.4707642 0.20 756.3699951 0.27 759.4257202 0.11 760.3802490 0.58 761.0604858 0.26 768.1631470 1.96 769.1793823 2.97 769.8991699 2.56 770.7772217 0.40 773.7822876 0.51 778.5507812 2.21 779.3035278 0.26 780.8341675 0.09 795.6636353 0.44 800.4818726 0.27 801.6445312 1.58 809.5497437 15.20 810.2196655 13.07 811.1238403 0.70 814.5361328 0.16 815.8995361 0.72 816.9419556 0.16 822.0780640 0.37 823.7144165 0.12 826.7736206 0.28 828.8661499 0.17 834.4469604 0.23 836.9978638 1.07 841.0001831 0.61 842.0822144 1.34 843.4717407 1.50 844.0946655 0.06 846.5310059 1.18 851.7653198 0.07 853.4972534 0.09 857.4706421 0.19 858.1584473 0.48 866.0891113 4.07 866.7048950 2.57 867.3081055 0.73 871.2429199 0.20 872.8030396 0.49 879.3377075 0.32 881.5590820 3.42 882.2631226 0.19 885.9157104 0.33 888.1115723 0.53 890.2522583 23.53 891.2167358 0.97 891.8671265 0.11 894.3700562 0.31 895.3357544 0.38 897.7949829 0.36 900.0923462 0.35 901.7357788 0.71 902.7241821 0.18 913.5626831 1.41 914.6195679 0.31 916.5199585 0.88 919.9849243 0.57 921.9754028 5.38 923.7395630 0.15 927.6676636 0.51 930.3125610 0.79 931.0661621 3.74 935.7443848 0.78 942.7066040 0.33 950.1931152 0.11 951.4293823 0.22 959.3547363 0.49 960.7822876 0.44 979.1502075 0.13 982.5664062 0.51 984.6433105 0.26 990.5835571 0.29 992.5248413 0.13 1010.7227170 0.12 1050.7326660 0.49 1062.1691890 0.14 1103.9775390 0.11 1121.8669430 0.67 1124.4354250 0.21 1137.3540040 0.17 1148.7419430 1.07 1236.8442380 0.24 1237.6046140 0.99 1238.6614990 0.11 1266.6457520 0.25 1294.8333740 0.54 1380.2896730 0.14 1398.8559570 0.16 1497.9451900 0.18 1603.9525150 0.65 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 957.5045 Annotation Hoduloside I Peak:m/z Relative Intensity 305.2160339 0.18 363.7061768 0.10 407.4238892 0.10 427.5634155 0.14 471.5054932 3.06 472.4410400 0.12 499.3914185 0.33 512.8117676 0.20 567.4255981 0.85 579.3617554 0.13 589.1784058 0.26 597.4685669 0.12 599.4753418 0.08 615.5186768 1.75 633.4321899 9.21 675.5842896 0.29 741.6139526 0.04 751.4933472 0.07 759.7084351 0.05 777.5592651 26.16 778.4154663 0.10 779.6787720 0.22 782.9221802 0.04 793.0909424 0.15 795.5629272 100.00 796.4292603 0.32 837.5891724 0.84 872.3760986 0.23 907.8280640 0.13 921.0733032 0.19 938.8795776 0.14 939.6098022 1.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 819.233 Annotation U 77802 Peak:m/z Relative Intensity 234.9779663 0.15 241.9905396 0.05 245.1127014 0.22 247.1250458 0.04 256.9278564 0.21 265.2240295 0.57 277.4253845 0.11 285.0662842 0.17 289.1770935 0.25 301.2797241 0.11 305.1866455 0.05 306.2348633 0.07 307.2656860 0.11 319.0161743 0.39 320.1636963 0.69 324.2544250 0.07 337.2495728 0.40 341.2205505 0.10 343.0313110 0.16 347.3906860 0.40 361.2084351 1.28 362.2391357 0.14 365.5074463 0.49 369.2597656 0.35 373.3829956 0.06 379.0740967 0.36 421.3438110 0.42 433.4699707 0.27 482.5703735 0.24 495.1420288 0.08 499.1488647 0.40 500.1942139 0.22 513.2974854 0.79 514.2638550 0.30 523.3568115 1.35 524.2221680 0.22 527.3115234 0.29 541.2518921 2.54 542.3323975 1.55 545.1030273 0.19 550.9367065 0.31 554.9764404 1.29 555.6382446 1.08 556.4143066 0.46 559.1831665 2.84 560.3117065 0.63 565.2498779 2.12 567.4826050 0.06 569.5775757 0.42 570.3511353 0.23 573.1111450 0.57 574.2339478 0.27 583.2312012 14.26 584.2006836 4.59 588.0758057 0.07 597.1575317 0.06 601.2235718 30.54 602.2838135 13.80 611.4605713 1.00 616.1611938 0.66 625.2203979 17.60 626.2059937 4.38 643.1701050 100.00 644.1932983 30.55 658.4996948 0.46 670.3579712 0.60 673.4793091 0.08 687.1941528 0.38 688.4013062 0.28 699.2474365 0.68 700.1013184 0.21 717.3500366 3.09 718.2853394 1.10 724.3154907 0.13 735.1509399 3.07 736.3316650 2.35 759.2517700 62.20 760.3147583 21.28 775.6110840 0.60 777.2346802 74.81 778.2926636 29.80 789.2929688 0.19 795.2121582 0.13 801.4292603 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 761.882 Annotation Unknow Peak:m/z Relative Intensity 226.1039581 0.24 227.2948303 0.06 234.1743622 0.10 235.0249939 0.03 240.2915802 0.07 241.0756073 0.07 241.9609833 0.10 247.0718689 0.23 254.9852905 0.34 259.2717896 0.26 271.6323547 0.49 272.4340210 0.19 277.1920471 0.17 278.3143005 0.25 281.9242249 0.14 296.1514893 0.30 300.0653076 4.38 301.0908508 0.53 308.9865723 0.04 312.3697510 0.06 313.2872314 0.33 314.1658325 0.09 323.1015625 0.43 325.9195557 0.05 331.6007690 0.09 333.4299316 0.13 335.2967529 0.05 337.1406250 0.17 338.0319824 0.04 351.2470703 0.11 352.1413269 0.06 354.1527405 0.48 355.1125488 0.19 355.9510498 0.37 356.6014404 0.08 357.5620728 0.15 365.2120972 0.25 367.3529663 0.11 369.1598511 0.71 370.2748413 0.10 379.0718384 0.15 379.7039795 0.13 389.8893433 0.05 391.2512817 0.05 397.2345581 0.92 405.3203735 0.82 406.3292847 0.22 416.2298584 0.33 427.0879517 0.37 436.3587646 0.19 441.3468628 0.07 442.0706787 0.38 446.5263672 0.11 449.5712891 0.09 450.5398560 0.67 455.1801147 0.05 456.2341309 0.14 460.1822510 0.23 462.4843750 0.07 464.2646484 0.32 468.3204956 4.08 469.4216309 1.02 471.2531128 0.05 473.1458740 0.16 474.2205811 0.07 478.1113892 0.08 481.3827515 0.19 484.0442505 0.09 496.4338379 0.43 497.8256226 0.26 499.4337769 0.06 502.3320312 14.69 503.3547974 1.77 504.3455200 0.13 508.0153809 0.38 514.6763306 0.18 515.5259399 0.70 519.3941650 0.07 523.3344727 0.11 528.3410034 2.26 529.0690918 1.05 530.0084839 0.21 531.0135498 0.17 532.3083496 0.13 535.5808105 0.18 538.7561035 1.41 539.6062622 0.37 540.9344482 0.39 544.3648682 0.06 545.6118774 0.07 548.1112671 0.81 549.1049194 1.14 554.5534668 0.12 557.6046753 0.04 563.4194946 0.17 564.4254761 0.19 565.6657104 0.28 566.3044434 0.13 567.8822632 0.22 571.0751343 0.37 573.0640259 0.21 575.2123413 0.41 576.3564453 0.13 577.5445557 0.40 578.4472046 0.05 579.5613403 0.21 580.8560181 0.11 588.3956299 0.98 589.0142212 0.21 593.4437866 0.60 595.5092163 1.39 596.4984741 0.38 597.9621582 0.06 600.3189087 0.23 601.1245728 0.13 602.6981812 0.10 603.8411865 0.83 606.5250854 0.34 611.0569458 0.20 612.5834961 100.00 613.6021118 5.43 614.7954102 3.52 615.6211548 0.35 616.2927856 0.08 618.3602905 0.28 619.0004272 0.43 619.6364746 0.08 622.6268921 0.11 624.3516235 0.52 629.5100098 0.47 630.3128052 0.07 631.3672485 7.00 632.3878174 1.32 633.3203735 0.17 634.3952026 0.11 636.0245972 0.34 637.8707886 0.06 640.3132935 0.60 642.0054932 0.30 643.5678101 0.36 644.8981323 0.44 646.6530151 0.06 648.2593994 0.20 649.1463013 0.38 653.4011841 0.22 654.3897095 0.26 655.0759888 0.05 657.4212646 0.26 658.4488525 0.74 659.5605469 0.13 662.1564941 40.91 663.0126343 2.20 664.4312134 5.70 665.4522095 1.67 669.2058716 0.09 672.5935669 0.07 673.7624512 0.18 674.4248657 0.05 679.7891235 0.47 680.7922363 0.98 681.7844849 0.12 685.0642090 0.06 686.1386108 0.06 688.4333496 3.17 689.0697632 1.51 692.6344604 0.07 693.8270264 0.27 695.0485229 1.32 696.1323242 0.38 697.3410645 0.33 700.5350952 0.25 703.3130493 0.06 705.6010742 0.13 706.3196411 0.08 709.3639526 0.54 710.7294312 0.44 716.7321777 0.85 719.3536987 0.07 722.4441528 1.35 723.4720459 0.24 724.1590576 0.08 726.4697876 0.52 728.6954346 0.60 729.5818481 0.15 730.8279419 0.13 731.9813232 0.49 733.3183594 0.28 735.4447632 0.71 739.5497437 0.41 742.4353638 3.85 743.5286865 2.83 744.4437866 2.30 745.4550171 0.67 746.6287231 0.09 747.5426636 0.23 750.0866089 0.14 750.7423096 0.13 752.6981812 3.61 753.5715942 0.70 760.1909180 0.14 783.4601440 0.55 784.2918701 0.13 793.4526978 0.33 794.4765015 0.23 795.5053711 0.06 798.5654297 0.09 800.8823853 0.05 802.8035889 0.38 803.6438599 0.17 809.0772095 0.10 818.5537109 0.30 819.6534424 0.21 821.4098511 0.13 822.4274902 0.14 823.6180420 0.10 828.6315918 0.08 830.1954346 0.17 834.4633179 0.16 838.6660767 0.08 841.5221558 0.04 853.4985962 0.75 854.1057739 0.06 854.7206421 0.06 855.5421143 0.10 859.3708496 4.61 860.2583008 2.02 861.7974243 0.24 864.5929565 0.10 865.5625610 0.09 874.5900879 0.48 881.7265015 0.10 891.2697754 0.31 892.5603027 7.20 893.6332397 1.69 894.6057739 0.62 898.8428345 0.35 899.8442993 0.03 904.9155273 0.17 909.3527832 0.10 912.6586304 0.09 913.6716919 0.12 922.4697266 0.36 923.3383179 0.38 925.7006226 0.18 926.9411621 0.07 928.3488770 0.06 931.4042358 0.27 932.6472168 0.54 941.9147339 0.73 942.5372925 0.09 946.5354614 0.12 947.6770020 0.44 948.3356323 0.03 958.5785522 0.23 962.2130737 0.36 963.1753540 0.15 966.7424927 0.24 968.8053589 0.06 971.3162231 0.16 980.0490112 0.24 981.7800903 0.09 993.6683960 0.36 994.7487793 0.18 996.4219360 0.06 997.5930786 0.15 1000.4577640 0.20 1001.3237920 0.16 1004.5140990 0.03 1010.2306520 0.23 1021.5014650 13.74 1022.4804080 3.92 1023.6231080 0.46 1037.5600590 0.10 1038.7600100 0.13 1042.8864750 0.04 1046.9296880 0.04 1051.5251460 0.26 1052.1970210 0.61 1055.6804200 10.68 1056.7561040 3.47 1057.7492680 0.21 1060.5563960 0.04 1061.3654790 0.39 1062.4744870 0.16 1063.1485600 0.03 1067.2021480 0.07 1068.3615720 0.16 1076.6693120 0.19 1077.8244630 0.76 1090.7395020 0.17 1093.7639160 0.11 1094.6248780 0.28 1095.3767090 0.12 1096.6574710 0.88 1098.8081050 0.08 1118.7484130 0.96 1119.6108400 0.38 1126.5709230 2.37 1127.7844240 0.75 1128.7862550 0.11 1141.4896240 0.14 1149.7283940 0.27 1174.2036130 0.04 1176.9255370 0.14 1189.6794430 0.16 1191.0563960 0.48 1192.1933590 0.88 1192.8779300 0.59 1193.8913570 0.07 1194.7899170 0.40 1205.7626950 0.59 1210.8415530 0.26 1223.6627200 34.00 1224.6536870 18.47 1225.5919190 0.75 1229.5834960 0.06 1246.7645260 1.56 1247.5500490 0.89 1271.5980220 0.16 1284.5723880 0.21 1306.9464110 0.07 1322.8243410 2.48 1323.6597900 0.60 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 386.9393 Annotation Unknow Peak:m/z Relative Intensity 115.0414200 0.05 158.8656311 0.77 160.9474182 0.05 229.1003418 0.06 245.2013855 0.02 246.9686890 0.04 256.8961792 0.05 272.9573669 100.00 310.8774109 0.05 341.2592773 1.54 342.8104858 0.01 358.9363708 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 496.2433 Annotation Spirotryprostatin C Peak:m/z Relative Intensity 175.2144470 0.01 184.9872742 0.01 200.9428406 0.14 214.1662292 0.01 214.9749603 0.02 256.2586060 0.07 262.3204651 0.02 274.0935974 0.02 277.3325195 0.01 282.4346619 0.02 283.2402039 0.04 284.1578369 0.15 291.2627258 0.02 298.0383911 0.13 302.1225586 0.01 321.1372986 0.03 323.2447205 0.29 326.5030518 0.03 335.4666748 0.02 336.4069214 0.08 352.3090210 0.01 355.2821655 0.05 365.8799438 0.01 367.1411133 0.03 372.2782898 0.08 376.1305542 0.01 379.5115356 0.02 381.2073669 0.11 384.7934265 0.09 388.4093323 0.05 390.5077515 0.04 392.4709167 0.01 393.4916687 0.04 394.3856506 0.11 395.5802307 0.03 397.2637329 0.02 404.5997620 0.03 407.3197632 1.08 408.3623352 2.69 409.3605957 0.18 410.4042053 0.05 412.2916565 0.03 419.7255554 0.02 421.3210144 0.71 422.3364563 1.08 423.5737610 0.55 425.2715149 100.00 426.2895203 3.53 427.2960815 0.02 434.6868896 0.15 436.4166565 0.04 438.0982666 0.09 439.2489319 1.47 440.3473206 0.20 443.1332397 0.08 446.4385681 0.01 447.2554016 0.02 448.2208252 0.01 449.4275208 0.06 451.1098633 0.13 453.7449951 0.08 461.0386658 0.02 461.7560425 0.02 467.2229919 0.11 468.0881042 0.01 470.0745239 0.04 472.9847107 0.14 477.2909546 0.05 478.6980591 2.53 479.3294373 12.69 480.4588928 0.78 481.2380676 0.07 486.9257507 0.10 490.4129333 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 359.0981 Annotation Prodiamine Peak:m/z Relative Intensity 105.7663879 0.07 112.9860992 1.44 118.8870773 0.08 120.9610291 0.96 122.8935623 0.11 124.9343719 0.09 137.0616150 0.11 138.0094299 1.00 138.9960785 0.18 143.1849976 0.27 151.8750610 0.10 152.9798584 4.22 153.7676086 0.04 158.3693237 0.08 161.1915588 0.22 163.1513824 0.05 164.7967529 0.05 166.1729279 0.15 167.0142517 0.20 167.9165955 0.03 178.4271545 0.28 179.4416046 0.25 180.1579895 0.47 181.1097870 0.20 182.0451508 1.49 193.4109497 0.03 194.1279297 0.13 194.9948730 0.68 196.9604492 89.83 207.0823059 0.05 211.1264343 16.01 219.1349792 0.19 223.3660889 0.55 224.2189941 0.96 225.3764343 0.04 239.1327209 100.00 244.3685608 0.04 249.0450745 0.36 250.9967957 0.72 253.0685425 0.10 255.8769531 0.03 263.2246094 0.07 265.0444336 0.41 269.1310425 10.73 280.9617920 0.17 284.1258545 0.10 293.1147156 0.85 295.0807495 0.04 299.1891174 28.00 315.1751404 0.19 341.0410461 0.37 344.0378723 2.72 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 519.21 Annotation Gossypol Peak:m/z Relative Intensity 171.3343201 26.38 248.2528381 8.98 276.1506958 14.93 326.5467529 16.26 327.3476562 7.69 331.0924072 15.29 355.6656494 11.11 375.4794312 19.84 384.9855347 40.93 386.4960938 6.79 387.2675781 5.73 426.2442627 8.42 428.8903809 8.85 435.508667 32.54 440.2615356 23.36 447.6957397 6.80 458.2022705 6.26 461.1437378 8.51 476.1389771 15.95 477.2479248 13.30 483.5817261 10.59 487.5644531 10.46 492.475647 8.46 501.1837769 100.00 502.2396851 10.10 509.755188 19.30 518.6710815 4.10 520.7301636 30.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 967.41 Annotation Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg Peak:m/z Relative Intensity 924.463562 30.13 945.8232422 56.06 951.9592896 72.19 967.4509888 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 296.88 Annotation Unknow Peak:m/z Relative Intensity 128.9480438 100.00 212.7683411 46.36 221.8851318 0.06 233.2280884 0.15 251.1674500 0.04 253.1304321 0.02 254.1506348 0.06 260.8504639 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 931.9882 Annotation Unknow Peak:m/z Relative Intensity 266.1575928 0.07 269.2074585 0.06 271.5688782 0.16 281.9984741 0.09 288.0246887 0.06 296.4828796 0.13 297.1647339 0.14 300.0301208 0.71 309.0541687 0.15 323.2213440 0.23 324.1329956 0.09 325.4331055 0.20 326.2581787 0.13 326.9189453 0.15 329.2306824 0.31 337.4624023 0.09 340.4251709 0.10 341.4062195 0.10 343.3342896 0.39 351.1885071 0.46 353.1180420 0.04 354.2245178 0.06 355.6635742 0.23 356.2945557 0.08 357.3363647 0.25 359.2240295 0.39 360.8151245 0.52 365.1806335 2.10 366.3229370 0.85 368.3652039 0.17 369.2028809 0.61 371.2940674 0.59 379.3822632 0.19 385.0358582 0.20 386.3106079 0.19 395.4854126 0.20 397.2896729 0.92 398.4190369 0.55 403.4688110 0.16 407.4479370 0.43 408.6033020 0.17 420.1409302 0.19 422.4909668 0.19 425.4580688 0.47 429.2465820 0.09 436.3098755 0.60 439.2343140 0.16 440.1943970 0.52 442.3537598 0.19 448.3123779 0.30 450.3906250 1.36 454.3082275 0.14 455.0899658 0.45 456.1269531 0.46 464.4203491 2.61 465.4199219 0.70 466.9821167 0.09 468.3593140 3.55 469.4285889 0.39 476.1184692 0.51 477.6051025 0.10 478.2930298 0.22 484.3099976 0.91 485.7905884 0.10 494.0667725 0.15 496.3796997 0.73 506.4660034 0.20 507.9122925 0.14 509.3099365 0.08 510.2238770 0.08 511.5154419 0.06 513.2965698 0.17 514.4345093 0.09 521.4021606 0.14 522.4859009 0.47 523.4021606 0.11 526.3152466 0.11 532.5897827 0.10 535.0882568 0.29 535.7214966 0.08 539.3194580 0.48 547.4573364 0.40 549.3012085 0.12 554.3221436 0.66 555.3574219 1.03 556.3214111 0.50 558.9431152 0.21 563.5966187 0.17 564.7637329 0.36 565.4708252 1.89 566.2752686 0.23 567.5520630 0.44 570.5405273 0.36 571.4503174 0.20 572.4323730 0.17 575.7445679 0.51 576.4065552 0.07 577.3415527 0.10 578.1168213 0.16 583.7044067 0.14 589.0164185 0.20 593.4236450 6.64 594.4419556 2.15 595.4942017 0.36 597.3142090 0.72 600.5128784 0.17 601.4560547 0.04 603.4924316 0.78 606.3571167 0.89 608.2385864 0.11 610.6901245 0.17 611.3456421 0.51 613.0404663 0.76 618.5807495 0.34 619.5436401 0.07 620.1821899 0.20 622.4470825 0.08 625.2390137 0.23 626.5744019 0.50 629.8784790 0.51 633.5925903 0.15 636.6014404 0.77 639.4801636 0.41 641.0919800 0.09 642.6674194 0.17 643.7252808 0.18 646.3787231 0.71 647.4985962 1.22 648.9849243 0.43 650.6022339 0.42 651.4628296 0.39 653.4098511 0.05 654.1801758 0.10 656.1358643 0.35 657.3457642 0.17 664.3442993 5.62 665.2580566 0.76 666.6649780 0.70 667.2782593 0.11 668.3928223 6.34 669.6640015 0.68 674.5890503 0.25 680.2155151 0.28 681.3945923 0.40 682.2501831 0.18 683.3883667 0.53 684.3324585 0.39 685.5860596 0.85 687.0621948 0.07 688.9895020 0.07 692.4661865 2.03 693.1586304 0.53 695.3905029 3.17 696.0403442 0.99 697.2094727 0.14 698.6881714 4.89 704.6266479 0.43 705.4867554 0.33 706.4437866 0.04 708.3869629 0.35 710.5101929 0.07 711.5198975 0.42 717.1166382 1.95 718.2740479 0.41 722.3921509 15.34 723.4332886 3.75 724.5090942 0.54 725.6567383 0.15 727.9389038 0.22 730.9808960 10.92 731.6161499 6.58 734.4909058 0.05 736.2160034 1.22 737.3892212 0.44 739.2901611 3.97 740.4293823 1.39 742.2687378 0.25 743.8539429 1.57 744.7084351 0.94 745.4202271 1.20 746.3934937 0.06 747.0160522 2.38 747.6351929 0.66 749.2752075 0.08 751.6820679 0.68 752.4345093 0.12 754.3695679 0.25 755.5119019 0.52 761.4199829 0.78 763.4508667 7.22 764.3668823 1.54 765.2531128 0.22 766.4906616 4.12 767.2789917 0.24 768.1841431 0.31 769.7829590 0.06 772.1915894 0.86 773.5027466 1.15 774.2677612 0.93 777.5844116 0.35 779.6232300 2.17 780.6122437 3.15 782.6421509 70.05 783.8665161 1.50 784.4971313 0.72 785.2085571 0.36 786.3894653 0.35 787.2594604 0.72 788.4265747 1.66 789.2938843 0.08 792.3821411 0.39 793.4436646 0.53 794.4328003 0.66 795.6364136 8.80 796.7954102 4.64 797.5294800 2.27 798.3281250 0.39 800.1890869 0.50 801.5583496 0.56 802.1763306 0.44 805.1091919 0.15 808.5668945 0.24 809.6126099 1.49 810.4887085 1.02 811.7359619 0.41 813.6596069 0.71 814.6599731 0.10 816.1792603 1.27 817.3767090 0.52 818.3130493 0.47 819.4524536 0.33 821.3618774 2.59 822.4448242 1.45 824.1408081 1.90 825.2244873 0.48 831.0733032 21.08 832.0875244 21.28 832.9231567 0.08 834.4896240 0.67 835.9783325 4.64 836.6632690 0.57 837.8952026 0.59 839.9799805 0.11 842.5440063 4.19 843.7540894 0.38 845.2133789 40.84 846.3091431 1.26 847.9494629 0.45 850.5396118 0.44 851.6261597 0.28 852.2273560 0.07 853.9154663 0.60 854.8237915 0.58 857.7388306 1.05 858.5158081 0.97 862.5650024 0.07 864.2442017 0.13 866.7316895 7.56 867.5130005 0.13 868.6193848 4.34 869.6548462 0.52 871.7892456 9.66 873.1235962 0.35 874.4830933 0.61 875.6362305 0.38 876.4597778 0.07 877.4745483 0.23 880.7055664 100.00 881.7554321 1.96 883.0446167 0.54 884.1925049 0.67 885.7189331 0.06 888.4308472 0.51 889.7974243 0.09 892.4102173 7.82 893.3801270 1.87 894.5944214 0.04 895.6428833 0.05 900.5202026 0.51 902.1063232 0.59 903.6200562 0.17 904.4328003 0.30 906.6688843 0.34 907.6030273 1.00 908.4047241 1.71 909.3822632 0.33 912.5907593 0.19 914.2542114 1.17 916.1519775 5.94 916.9341431 0.20 917.7400513 0.05 924.3778687 0.28 939.6850586 1.61 940.3848267 0.09 941.3661499 0.62 942.7774048 0.37 943.5042114 0.05 947.6373901 0.40 950.2511597 0.54 951.2554321 0.38 953.7435913 0.32 963.8392944 0.07 964.8334961 0.56 965.6155396 0.10 967.5499878 2.10 968.6702271 0.82 969.8915405 0.06 970.8567505 0.73 971.5101929 5.04 972.5972290 1.38 979.5680542 0.59 980.6669312 0.39 984.4431763 0.23 993.4628296 0.51 995.0319824 0.11 997.6040039 3.47 998.5136719 1.25 1003.3314820 0.27 1005.9751590 0.30 1007.4796750 0.66 1008.1022950 0.07 1010.5319820 0.35 1013.1833500 0.10 1019.5473020 0.14 1021.4044800 3.55 1022.3703000 2.13 1023.2834470 0.11 1025.6514890 2.94 1026.6276860 0.91 1037.5914310 0.82 1038.5809330 4.55 1039.6672360 1.68 1045.7854000 0.58 1058.7364500 0.30 1068.5344240 1.44 1069.3021240 0.23 1069.9212650 0.20 1075.1560060 0.18 1077.2641600 0.58 1078.0805660 0.14 1078.9848630 0.69 1082.6812740 0.16 1083.4154050 0.48 1086.4106450 0.87 1092.4019780 0.32 1095.3029790 0.21 1096.5534670 3.99 1097.7729490 1.42 1100.5158690 7.06 1101.5594480 2.32 1108.5532230 0.25 1109.8742680 0.19 1114.9147950 0.12 1117.8529050 0.17 1120.3112790 0.09 1124.4040530 0.19 1126.7445070 0.14 1127.7219240 0.07 1131.5731200 0.10 1135.1231690 0.84 1136.6385500 0.17 1139.6306150 0.42 1143.5251460 0.13 1149.1447750 0.43 1150.6240230 0.14 1151.6191410 0.19 1154.5573730 0.04 1167.7158200 2.92 1168.7241210 0.57 1175.7033690 0.55 1190.1578370 0.15 1195.6093750 0.17 1197.1514890 1.65 1197.8509520 0.90 1199.6237790 8.19 1200.7237550 1.88 1203.9492190 0.15 1204.7016600 0.28 1205.7624510 1.94 1206.7021480 0.80 1207.8901370 0.32 1208.9685060 0.34 1221.8520510 4.07 1222.6945800 1.09 1224.1888430 0.07 1225.8769530 0.05 1226.8028560 0.33 1246.9495850 0.18 1248.1140140 0.25 1261.7918700 0.16 1268.7369380 0.06 1269.5281980 0.19 1276.8208010 0.99 1277.6898190 0.99 1278.5898440 0.64 1279.5307620 0.14 1292.7650150 3.68 1293.8759770 2.44 1296.6783450 1.28 1297.6280520 0.08 1298.6109620 0.54 1305.1262210 0.49 1309.5338130 0.09 1318.4525150 0.24 1322.5271000 0.08 1324.7604980 1.30 1325.8499760 0.15 1334.3652340 0.27 1350.7091060 0.25 1363.7198490 1.09 1367.5731200 0.20 1371.4959720 0.20 1374.1063230 0.24 1375.8612060 0.74 1377.7819820 0.96 1388.7796630 0.26 1389.7864990 3.13 1390.7735600 1.52 1395.6765140 16.11 1396.7222900 5.34 1397.4282230 0.09 1402.7698970 0.22 1416.6519780 0.21 1429.8968510 0.29 1431.9550780 0.17 1442.7640380 0.29 1445.3604740 0.16 1452.1467290 0.11 1460.7774660 1.53 1461.6629640 0.29 1464.0255130 0.53 1465.5179440 0.06 1466.6800540 0.81 1467.7055660 0.47 1474.9685060 0.21 1489.1333010 0.07 1492.7629390 0.55 1504.6634520 1.03 1506.1180420 0.89 1508.6671140 0.44 1520.9608150 0.14 1535.7462160 0.16 1543.5885010 0.19 1545.5211180 0.09 1563.7518310 4.06 1564.7623290 2.39 1565.9282230 0.20 1575.7033690 2.68 1576.8103030 1.58 1607.9412840 0.18 1663.3039550 0.06 1688.9748540 1.36 1689.8441160 0.49 1749.9488530 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 375.0928 Annotation Phaseoloidin Peak:m/z Relative Intensity 129.1406403 0.19 147.6629181 0.29 152.0540314 0.20 153.0631409 0.10 166.7475891 0.05 168.3111725 0.07 169.0785217 0.15 195.0619507 0.57 211.9986267 0.03 213.0998535 0.15 227.0480347 0.03 233.0704651 0.07 243.1489563 0.03 244.8495483 0.04 267.3268433 0.08 278.2745972 0.13 282.9829102 0.20 289.0509033 0.03 303.2512817 0.07 309.3782959 0.06 312.3948975 0.12 329.1789551 100.00 330.4598389 0.11 331.3184509 0.22 338.8682861 0.48 339.6020203 0.04 341.4672546 0.14 342.3205566 0.20 343.1918945 0.49 347.2245483 0.18 348.2303162 0.06 356.1311035 1.66 357.1840515 0.53 358.3240967 0.07 360.4270325 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 987.4807 Annotation Ageratoside B1 Peak:m/z Relative Intensity 395.4310913 0.05 437.5848999 0.14 439.3940125 11.96 440.0185547 0.13 453.6378784 0.03 455.4460449 0.06 483.4724731 0.15 497.4669800 0.08 500.4167480 0.24 501.5632935 4.04 509.4797363 0.18 510.1823120 0.34 511.4309998 0.17 515.7858276 0.14 527.2663574 0.02 529.5019531 0.04 543.6520996 0.21 546.3896484 0.23 645.4282227 4.49 663.4129639 100.00 664.0938721 0.19 677.6301270 1.82 687.2141724 0.11 704.8269043 0.25 705.4970703 5.03 771.3000488 0.06 781.2733154 0.14 825.6787109 0.04 833.5700684 0.06 848.4802246 0.07 866.6777344 0.21 925.4891357 0.09 942.7182617 0.60 943.6262207 0.08 964.9924316 0.05 966.9107666 0.07 969.0104980 0.61 969.6373291 0.05 977.5756836 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 603.186 Annotation Unknow Peak:m/z Relative Intensity 169.9935455 0.07 171.1097412 0.05 179.1009216 9.29 188.9956970 0.16 197.0934753 18.79 199.1595154 0.04 211.2435303 0.03 213.1540985 0.89 215.0808411 9.24 223.4194031 0.08 228.9972534 0.17 231.1545715 9.62 238.9878235 0.28 241.1611481 0.08 243.2604370 0.46 249.0815582 63.86 254.2429504 0.15 257.2305298 1.99 275.1781311 0.03 278.3177185 0.02 284.3234863 0.02 287.1370850 1.13 291.0285034 0.75 303.1893921 0.04 308.5357056 0.04 309.1648560 0.04 311.9227600 1.06 317.2495117 1.58 320.1231689 0.10 321.0259705 0.76 327.3042603 0.05 341.0823975 0.05 345.1930542 0.17 349.2876587 0.03 351.1906738 4.41 354.2640991 0.18 356.2212524 0.05 359.1856689 0.10 361.4151611 0.08 366.2864380 0.04 367.8673096 0.06 374.8030396 0.05 377.2603760 33.42 379.0975952 0.05 380.1766357 0.03 386.9957886 0.05 393.2715454 0.20 394.1927490 0.23 395.5100708 0.09 398.5544434 0.17 405.3648682 2.41 409.8350220 0.05 411.1511230 39.57 411.7645874 0.13 423.1681519 3.77 429.3087158 0.04 439.3807983 0.09 441.1952515 100.00 442.1428223 0.09 446.9287109 0.04 453.5192261 0.05 456.3267822 0.09 457.5981445 0.27 468.3480225 0.05 473.8942871 0.03 477.0598755 0.27 483.1679688 1.21 487.4667969 0.80 488.4906006 0.28 492.3879395 0.14 494.6317749 0.07 499.1691284 0.02 507.1891479 0.08 508.9708862 0.15 511.2962036 1.10 513.0523071 2.63 514.1475220 0.04 523.2361450 0.03 527.0768433 0.18 536.4613647 0.07 539.4628296 0.06 541.3291626 7.11 542.0167847 0.04 543.1975708 18.53 552.5248413 0.11 553.4055786 0.23 555.0319214 0.06 557.1565552 0.35 558.6844482 0.41 559.4928589 0.42 564.3042603 0.20 565.2838135 0.04 566.3679199 0.05 567.2917480 0.42 568.0686646 0.24 571.3668823 0.12 572.6169434 0.05 573.3856812 0.15 575.0916138 0.12 584.5933228 2.57 585.3705444 4.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1375.6136 Annotation Unknow Peak:m/z Relative Intensity 405.2522888 0.02 407.5888672 0.05 425.6528015 0.06 443.6387634 0.03 467.1873169 0.60 485.4328613 0.14 487.4880676 0.14 488.6419678 0.06 511.3834839 0.01 529.3482666 0.06 565.2786255 0.06 577.6718750 0.12 601.6245728 0.41 617.3577881 0.07 619.5062866 0.41 637.7427979 0.03 643.4523926 0.10 661.7518311 0.13 677.3856201 0.02 683.4397583 0.07 691.4097900 0.02 699.6074219 0.22 709.5655518 0.09 719.4716797 0.12 725.2236328 0.03 727.4896240 1.80 728.4845581 0.09 745.5465698 0.98 763.5612793 3.25 764.6795044 0.12 769.4636841 0.19 781.5354004 1.12 787.5385742 0.82 805.4626465 10.02 806.4429321 0.18 823.4735718 11.35 824.5572510 0.41 847.4559326 8.54 848.2001953 0.06 865.4416504 45.77 866.5180054 1.38 907.3890381 100.00 908.4449463 2.56 947.3106689 0.02 949.7259521 0.25 969.3303223 0.03 989.2310791 0.05 991.2493896 0.04 1070.6201170 0.03 1081.4058840 0.08 1111.0585940 0.07 1189.0816650 0.09 1230.9798580 0.46 1231.6402590 0.07 1253.4326170 0.02 1331.7501220 0.02 1332.9328610 0.03 1346.1011960 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 476.2776 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 140.0487518 0.04 152.9795837 0.08 171.0671539 0.04 196.0635071 2.15 197.0907440 0.12 214.1318054 1.52 215.1893463 0.19 218.3571320 0.21 261.2909241 0.04 262.2641602 0.03 279.2880859 100.00 280.2953491 33.85 291.1391296 0.19 294.8524780 0.04 297.5042114 0.05 299.4246826 0.05 308.2503052 0.07 329.6405334 0.06 361.3796082 0.06 362.5402832 0.04 401.7356262 0.05 405.3985901 0.03 415.2594910 0.44 416.3695679 0.33 417.7516174 0.04 420.0987854 0.01 421.0350342 0.11 431.4141541 0.04 434.3652649 0.03 439.2449341 0.04 441.0995178 0.09 442.4497070 0.04 449.2719421 0.10 458.9123840 0.16 459.5170593 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5841 Annotation Scillanoside L2 Peak:m/z Relative Intensity 364.6038818 0.30 376.0433655 0.04 391.5502625 0.11 397.2418518 0.08 405.1547241 0.13 407.5005188 1.06 409.5932007 0.23 423.1546021 0.35 425.5250244 0.54 426.4715271 0.33 427.6011047 0.52 428.5604858 0.07 467.2647095 5.01 468.5515137 0.28 471.4699402 38.09 472.6487427 1.61 485.5087280 0.36 493.6672974 0.09 499.3403625 0.05 500.0933533 0.16 513.4188232 0.48 527.8131104 0.11 529.5393677 34.44 530.5086670 2.13 555.6484375 0.14 583.4338379 2.44 584.4964600 0.15 633.1097412 0.08 647.4340210 0.07 723.3659668 0.09 731.0851440 0.08 733.6103516 0.07 763.4412842 0.30 779.6005249 0.10 781.4119873 100.00 782.5272217 7.32 795.3379517 8.30 796.4297485 0.82 823.3915405 0.53 824.5396729 0.29 837.3828125 1.82 838.4046631 0.08 853.3171387 0.70 877.2934570 0.49 879.4881592 0.06 895.4321289 0.07 921.7506104 0.15 925.5898438 0.25 926.2030029 0.08 939.3939209 6.57 940.0043945 0.03 940.6152344 0.37 997.5560303 0.59 1051.4383540 0.65 1052.3491210 0.19 1069.8267820 0.14 1101.7860110 0.04 1105.5407710 0.10 1132.7117920 0.80 1205.4226070 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1009.2825 Annotation Unknow Peak:m/z Relative Intensity 323.3423462 0.13 465.4159241 0.18 499.0388184 0.31 586.9465332 0.21 601.4022827 0.48 629.2370605 0.72 665.9678345 0.60 671.2751465 0.38 685.2650757 0.36 763.2318115 1.86 787.3911133 0.20 805.3797607 24.46 816.3012695 0.07 817.5529785 0.25 828.3723145 0.24 833.0428467 0.14 847.2564697 100.00 847.9228516 0.27 889.2561035 0.65 891.5426025 0.22 907.4294434 0.73 925.2193604 0.22 949.2045898 6.79 961.7182617 0.36 964.3803711 0.06 965.7416992 0.15 967.2661133 3.27 973.4331055 0.04 981.4812012 0.10 991.7419434 0.13 992.6347656 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 191.0196 Annotation Diketogulonic acid Peak:m/z Relative Intensity 66.9709625 0.06 84.9338226 0.28 86.9380341 0.60 100.9958191 0.23 110.9030914 100.00 129.0229950 1.14 130.8537445 0.99 147.0266113 0.04 154.8064728 0.17 172.9536438 24.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 647.291 Annotation Unknow Peak:m/z Relative Intensity 219.2875366 0.04 220.5315552 0.01 237.2110596 0.05 312.1513672 0.06 313.3946228 0.05 323.3387146 0.11 337.4792480 0.06 341.2211304 0.11 347.3821411 0.02 348.4111938 0.03 355.4015503 0.02 395.2114868 0.33 407.1838989 0.11 411.3353882 0.04 423.4854736 0.07 425.2459106 0.37 431.1572876 0.06 437.2952881 0.06 439.1602783 1.25 440.2326660 0.06 449.5063477 0.31 467.2826538 13.29 468.2736816 0.15 469.4654541 0.02 473.2050171 0.05 474.7208252 0.02 485.3475952 0.22 488.3563843 0.02 489.6008911 0.03 503.2549438 0.03 511.1506958 0.03 513.1060181 0.14 529.5375977 0.08 545.3842773 0.03 553.4650269 0.05 564.5409546 0.10 573.2328491 0.02 579.5811157 0.02 585.3330078 0.07 594.3276978 0.09 600.2610474 0.24 601.0484009 3.77 601.7025757 0.28 603.4653931 0.10 611.5372925 0.06 612.4418335 0.10 614.4729614 0.07 615.3610229 0.05 617.4470215 0.07 619.5628052 0.22 624.4298706 100.00 625.8577271 1.43 626.7536011 0.93 627.5446777 0.50 629.3544312 0.48 630.9801636 0.17 632.0773315 0.11 633.4792480 0.04 635.5834351 0.03 637.2474365 0.04 638.0942993 0.02 640.1832275 0.04 719.6718140 0.07 763.5771484 1.29 764.5975342 0.13 781.5361938 35.55 782.4884644 2.08 807.1596680 0.08 823.2970581 0.18 823.9055176 0.11 824.8605347 0.02 1087.4814450 0.15 1088.6148680 0.04 1249.4805910 20.05 1250.4658200 2.04 1251.1278080 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1333.6 Annotation Unknow Peak:m/z Relative Intensity 407.3020325 0.01 426.4406128 0.02 467.2601318 0.66 468.1385193 0.30 485.1318970 0.10 486.4925842 0.04 487.3491821 0.23 488.5125427 0.35 515.8477783 0.01 583.6019287 0.04 601.4918823 0.17 602.6223145 0.09 604.3364258 0.02 617.6241455 0.03 619.2715454 0.27 620.4582520 0.48 642.2852783 0.02 644.7318115 0.02 645.5683594 0.02 646.2089233 0.03 652.9688721 0.01 656.6010742 0.02 662.1120605 0.08 662.7927246 0.11 663.6241455 0.02 672.7615356 0.06 682.6630859 0.02 684.8267822 0.02 699.8228760 0.03 700.6783447 0.06 701.4603271 0.03 716.5546875 0.08 719.2462158 0.07 720.4253540 0.14 727.2020874 0.19 728.5637817 0.54 745.5634766 0.70 746.5231934 1.25 747.5462646 0.04 763.5466919 3.54 764.4732666 6.77 765.5858154 0.12 770.3533936 0.04 781.4771729 1.45 782.5629883 2.60 788.7731934 0.02 805.4681396 5.81 806.4629517 11.27 807.1301270 0.16 807.7877808 0.26 823.5061035 16.47 824.4622803 32.96 825.5455322 0.57 847.4736328 0.13 848.4686279 0.15 865.4599609 42.75 866.4346924 100.00 867.4102783 1.73 871.3935547 0.02 905.5800781 0.02 906.3045654 0.02 907.5024414 0.28 908.5771484 0.20 948.2796631 0.12 1069.4422610 0.02 1070.4444580 0.01 1172.6447750 0.01 1189.2305910 0.08 1190.1440430 0.30 1232.9855960 0.01 1292.1951900 0.08 1316.8583980 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 457.12 Annotation 12-chloroisoplagiochin D Peak:m/z Relative Intensity 142.8528137 0.06 149.2794800 0.02 161.0721741 0.06 178.9611969 1.74 233.1583710 0.10 259.3982849 0.06 263.3560486 0.04 277.1676025 0.17 281.2899475 0.04 295.1130676 0.70 341.2482300 100.00 415.1251831 0.02 439.2107239 4.57 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 120.9542847 0.22 128.977478 0.12 130.9282837 0.47 140.729126 0.33 157.1521606 0.63 158.9415283 0.43 161.2557983 0.47 169.4291077 0.30 171.1338501 1.33 173.1473389 0.62 175.1785126 0.24 178.1695709 0.32 180.1282196 0.29 185.1184998 3.50 187.1130066 3.29 199.1178131 0.75 200.9349213 1.29 203.0569153 0.89 203.8656616 0.15 213.2035828 0.38 215.1835632 0.36 217.3171997 1.46 225.2563171 0.17 227.2670288 0.77 229.0601501 2.45 231.1335144 0.32 241.2416687 2.82 243.0637512 2.45 245.368866 0.27 255.1072388 2.02 257.1338196 2.44 259.3480835 0.84 262.7454834 0.17 263.3623657 0.89 269.3659973 1.41 271.2732544 4.89 273.2842102 1.37 281.5367737 0.33 283.2909851 0.94 285.2062683 5.46 287.435791 0.87 293.7908325 0.38 295.2973022 1.47 297.2919617 2.70 299.2444458 3.39 301.5603943 0.22 309.1345825 0.44 311.2990417 3.90 313.3380127 4.18 314.8621826 1.61 315.4996338 1.25 321.4578247 2.77 323.3601685 9.89 325.4356079 0.75 329.1784668 0.28 329.9700928 0.52 335.5491028 0.17 339.2526245 100.00 339.9952393 0.93 341.3617249 21.70 342.4395142 0.30 347.8913269 1.99 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 217.03 Annotation Unknow Peak:m/z Relative Intensity 88.8561325 4.03 101.1047211 0.61 107.0471954 0.39 113.3207855 0.72 114.0452881 2.57 118.9948425 6.92 142.9845123 3.65 150.9505920 0.75 160.8154449 6.24 178.9119415 100.00 179.5273590 0.97 180.4573364 3.98 181.1481781 4.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 631.88 Annotation Unknow Peak:m/z Relative Intensity 215.0986481 0.03 216.1349182 0.05 273.0125122 2.67 274.0215149 0.97 288.9653320 4.77 290.0659790 0.96 305.2035217 0.08 311.2864990 0.03 387.1072388 1.67 388.0316772 2.08 402.9177856 22.24 404.0009766 10.47 484.4401245 0.12 487.1110229 0.10 495.0731812 0.27 500.8720703 0.54 501.8323975 0.53 516.8524780 100.00 517.9168091 80.92 541.7739868 0.09 556.9838867 0.10 558.8664551 0.04 575.2571411 0.05 584.8165283 0.20 585.8324585 0.08 586.7991943 0.03 588.1685181 0.08 603.7570801 0.12 608.4908447 0.16 614.2605591 0.11 622.2014160 0.03 631.9627075 0.04 859.0755005 0.04 989.8510742 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1012.48 Annotation Unknow Peak:m/z Relative Intensity 288.3078308 0.07 298.9925842 0.08 329.2411499 0.13 330.1897888 0.05 362.4311523 0.11 366.4417725 0.09 378.9967346 0.22 380.9823914 0.11 385.3096619 0.17 387.0041199 0.06 409.4908752 0.13 419.3179016 0.19 425.0978699 0.28 425.9938354 0.16 444.3401489 0.11 455.4847717 0.06 456.1153259 0.08 461.4804688 0.08 476.2370911 0.06 478.4519043 0.18 479.4833984 0.34 486.4230957 0.19 498.1305542 0.17 503.6723938 0.53 505.1281128 0.46 511.3984375 0.10 516.6446533 0.04 531.4233398 0.24 537.1596069 0.15 538.4069214 0.07 539.1519775 0.76 541.0734253 0.09 542.5273438 0.20 543.7185059 0.06 546.3255615 0.23 551.2043457 0.10 554.5456543 0.33 557.7177734 0.36 562.1826172 0.06 563.4977417 0.08 570.2921143 0.09 572.3413086 0.42 575.1828613 0.23 577.5986328 0.50 578.4147949 0.28 596.2182617 0.18 600.3756104 0.09 602.4864502 0.06 612.7921753 0.10 613.6776123 0.04 616.7215576 0.32 627.5404053 0.06 635.4207764 0.08 636.6522217 0.19 638.3742676 0.30 641.5031128 0.11 650.5822144 0.30 654.4259033 0.07 658.3488159 0.35 663.5213623 0.22 669.4814453 0.15 673.6380005 0.06 687.2261353 0.22 690.4497070 0.57 692.4887695 0.78 695.2300415 0.43 704.0019531 0.54 713.4493408 0.62 718.5024414 0.04 721.2319336 0.12 730.5736084 0.19 734.4777832 0.11 735.9130249 0.43 743.2922363 0.15 754.6162109 0.18 755.6455688 0.26 756.2869263 0.24 759.5330200 0.43 779.1728516 0.29 788.0820312 0.18 789.5169678 0.13 790.7229004 0.06 802.6010742 0.10 807.3045654 0.21 809.3936768 0.08 818.3817139 0.05 819.4577637 0.45 827.6845703 0.46 844.6042480 0.24 845.6859131 0.09 848.5988770 0.32 849.7731934 0.05 852.3758545 0.25 853.1542969 0.22 854.7053223 0.35 855.6483154 0.08 859.8452148 0.13 865.5848389 0.14 875.7713623 0.03 887.3739014 0.49 910.2949219 0.22 918.4393311 0.11 920.8256836 0.28 923.4859619 0.07 929.7253418 0.22 932.3988037 0.49 944.5546875 0.06 948.0244141 0.17 949.7685547 0.04 951.9978027 0.65 953.4764404 0.25 964.6634521 0.40 966.7603760 0.25 972.8869629 1.24 975.5410156 0.33 977.2161865 2.47 978.5802002 0.25 979.8825684 0.80 982.0869141 1.30 984.6192627 0.04 985.5729980 0.37 988.4238281 1.76 991.1450195 0.64 992.1484375 0.34 993.5950928 3.50 994.3671875 0.46 995.6022949 2.84 996.5554199 1.10 997.5456543 4.05 998.7388916 1.61 999.7025146 2.48 1000.3798830 0.15 1002.2169190 0.89 1004.5130620 0.12 1025.3842770 0.15 1030.1391600 0.38 1032.5456540 0.59 1034.2871090 0.50 1035.8574220 1.56 1044.5657960 2.84 1045.1887210 0.99 1050.7360840 0.06 1052.3666990 0.84 1058.2856450 0.20 1059.2215580 0.54 1062.0279540 0.10 1066.2094730 0.27 1073.4238280 0.06 1075.3315430 2.11 1076.9010010 0.75 1077.6750490 0.81 1078.6657710 0.22 1081.9899900 0.74 1084.6680910 0.32 1085.2856450 0.32 1086.1434330 0.75 1087.2730710 4.15 1087.9158940 0.42 1089.8177490 0.04 1091.8698730 1.02 1093.1611330 1.34 1095.2686770 0.65 1096.9543460 0.09 1098.2197270 0.68 1098.8359380 0.19 1099.8896480 0.98 1100.7255860 0.04 1103.9782710 0.12 1105.2709960 1.00 1105.9038090 1.93 1106.6643070 1.11 1108.3864750 1.85 1111.5872800 0.37 1112.4356690 1.98 1113.2427980 0.15 1115.1734620 2.70 1116.1416020 3.95 1118.6990970 2.53 1119.9565430 1.87 1120.8052980 1.95 1121.5573730 0.50 1122.5356450 0.18 1123.6313480 1.16 1124.7430420 1.67 1125.7602540 1.80 1127.0122070 0.16 1128.4947510 0.70 1129.5992430 0.15 1131.2141110 0.66 1131.8890380 1.25 1133.0588380 4.36 1134.3085940 3.13 1135.5709230 2.03 1137.5161130 6.72 1138.2492680 4.54 1139.1157230 1.29 1140.3088380 21.52 1141.1441650 3.70 1142.6101070 5.78 1143.3081050 100.00 1144.6257320 3.96 1145.7829590 2.22 1146.8493650 1.46 1147.5859380 2.66 1148.4205320 0.98 1149.4218750 2.21 1150.2948000 2.25 1152.0618900 0.93 1153.0775150 0.84 1154.5938720 3.91 1156.3549800 5.45 1157.2214360 1.69 1159.3280030 40.76 1160.0415040 4.59 1160.8184810 2.53 1161.7182620 5.67 1162.5407710 1.54 1163.9257810 0.63 1164.6007080 5.44 1165.5505370 2.62 1166.3182370 0.48 1166.9798580 1.62 1167.9217530 0.33 1169.1671140 5.66 1170.0989990 0.66 1171.0385740 0.51 1172.6328120 0.36 1174.0312500 0.13 1176.5474850 0.20 1177.1999510 0.10 1181.3381350 0.21 1184.9509280 1.52 1186.0559080 0.31 1191.4193120 0.27 1192.1267090 0.05 1197.9486080 2.57 1199.3886720 1.49 1201.5989990 4.82 1204.7761230 0.35 1206.1921390 0.14 1207.8405760 0.62 1208.5847170 0.23 1210.0388180 0.18 1211.2991940 0.08 1213.5786130 0.07 1214.2028810 0.14 1217.1992190 0.73 1217.9934080 0.47 1218.9077150 0.20 1219.9643550 0.41 1220.5877690 0.66 1222.5505370 0.94 1223.8564450 0.63 1231.9934080 1.24 1236.5538330 1.33 1239.3315430 0.21 1243.5361330 1.11 1244.1547850 0.77 1246.5983890 0.35 1247.8441160 1.73 1248.5046390 0.05 1249.5432130 2.65 1250.9458010 0.44 1252.7381590 3.78 1253.4019780 2.78 1254.8135990 0.27 1255.9422610 0.84 1257.5576170 1.16 1259.5622560 1.77 1260.2680660 0.22 1261.4919430 0.28 1262.3710940 0.29 1263.4676510 0.87 1264.8422850 1.12 1266.4626460 0.57 1267.4470210 2.35 1268.7420650 0.13 1269.7355960 0.96 1270.6503910 0.39 1271.9010010 0.67 1273.3541260 0.80 1275.6069340 1.52 1276.8491210 2.61 1277.5185550 0.12 1278.8240970 0.69 1281.8908690 0.17 1282.8479000 0.63 1286.7236330 2.32 1287.7244870 0.90 1288.5845950 0.85 1290.3170170 0.99 1291.0729980 1.34 1292.1416020 0.20 1293.0041500 0.33 1298.0570070 2.59 1299.3802490 0.04 1300.2998050 0.54 1301.2110600 0.27 1302.2253420 1.16 1306.2728270 2.29 1307.6401370 0.98 1308.8360600 1.68 1309.7423100 2.47 1311.3649900 0.39 1312.4707030 0.64 1313.2806400 0.47 1314.1307370 0.75 1315.7880860 1.39 1316.7818600 2.48 1317.9005130 0.41 1318.9996340 1.09 1320.8634030 3.28 1322.3045650 0.62 1323.3911130 3.13 1324.9975590 0.72 1326.2911380 4.40 1327.1070560 5.38 1328.2535400 1.69 1329.1738280 0.17 1330.0277100 2.45 1331.0563960 0.72 1332.0220950 0.58 1333.7102050 0.41 1334.7303470 0.35 1335.6530760 0.73 1336.3411870 0.48 1336.9937740 0.49 1338.0599370 3.67 1338.7701420 0.69 1341.1525880 0.52 1342.3316650 0.87 1343.3889160 1.35 1344.5374760 0.46 1345.9804690 4.50 1346.8378910 2.21 1347.7315670 0.67 1348.9538570 2.68 1349.8905030 1.11 1350.9885250 1.65 1351.8861080 2.81 1352.6496580 1.33 1353.7562260 1.70 1357.4688720 2.73 1358.3953860 0.10 1359.5963130 0.43 1361.4337160 1.56 1362.2108150 1.43 1363.1370850 1.22 1364.1791990 0.66 1365.1425780 0.13 1365.7475590 1.13 1369.0589600 1.37 1369.9366460 1.47 1371.4731450 1.03 1373.0611570 1.40 1374.1517330 0.62 1376.5614010 4.53 1377.3929440 1.51 1378.6232910 0.33 1380.0870360 0.16 1384.0010990 0.67 1384.8433840 0.85 1386.4086910 0.47 1393.5225830 0.35 1396.0887450 0.54 1398.7652590 0.84 1400.8208010 1.44 1401.4989010 0.14 1402.1097410 0.09 1404.4576420 0.35 1405.0701900 0.21 1405.9223630 0.56 1407.1656490 0.50 1409.0421140 0.54 1412.7254640 0.63 1415.6384280 0.83 1416.5474850 0.26 1417.4254150 0.35 1418.2159420 0.07 1422.6141360 0.13 1423.5794680 0.34 1427.4753420 0.17 1429.0214840 1.32 1432.2998050 3.20 1435.7341310 0.11 1436.7921140 0.34 1438.5910640 0.27 1440.3887940 0.79 1441.2042240 0.24 1442.6461180 1.58 1444.0201420 0.59 1445.0494380 0.38 1447.0059810 0.46 1448.1510010 0.06 1449.4854740 0.67 1452.0612790 0.39 1454.2020260 0.41 1455.7703860 1.08 1457.3928220 0.32 1458.7097170 0.82 1460.6678470 0.10 1461.8087160 0.08 1463.8848880 0.64 1464.8577880 0.12 1467.8648680 0.06 1468.7484130 0.41 1470.1588130 0.15 1477.4136960 0.33 1479.5014650 0.16 1482.6434330 1.16 1483.7680660 0.49 1485.6827390 0.85 1487.5010990 0.21 1488.7691650 0.16 1492.5142820 0.24 1493.3272710 1.12 1494.8773190 0.14 1498.8907470 0.13 1501.4349370 0.33 1502.4071040 0.69 1503.1097410 0.44 1505.3468020 0.40 1509.3902590 0.91 1510.1273190 0.76 1511.6507570 0.12 1512.8507080 0.04 1518.5235600 0.86 1522.1242680 0.22 1524.4615480 0.66 1527.1401370 0.35 1530.6015620 0.32 1541.8123780 0.68 1547.6383060 0.48 1554.0950930 0.52 1554.7341310 0.29 1556.6146240 0.10 1557.8105470 0.19 1558.5679930 0.47 1559.2203370 0.65 1562.9587400 0.13 1566.2113040 1.41 1576.9722900 0.14 1580.1518550 0.05 1588.0552980 0.27 1589.1541750 0.66 1592.2230220 0.59 1594.8637700 0.71 1595.9019780 0.35 1597.3619380 0.40 1598.6091310 0.37 1602.0216060 0.57 1603.9245610 0.37 1607.9934080 0.45 1613.6124270 0.06 1615.1582030 0.26 1616.5557860 0.52 1621.2928470 0.36 1622.3568120 0.14 1624.5233150 0.28 1628.3253170 0.05 1633.5163570 0.41 1639.8669430 0.06 1644.1864010 0.03 1647.5313720 0.77 1658.2347410 0.30 1664.1849370 0.22 1665.2022710 0.37 1669.3614500 0.09 1671.4436040 0.37 1673.1002200 0.73 1673.8477780 0.71 1684.3658450 0.14 1686.4000240 1.07 1692.2727050 0.78 1693.8072510 0.23 1706.6663820 0.14 1708.7340090 0.39 1722.5515140 0.58 1726.2834470 0.18 1742.6463620 0.93 1749.4060060 0.57 1751.2955320 0.09 1760.7833250 0.29 1772.2288820 0.23 1807.8253170 0.66 1810.4937740 0.15 1815.0930180 0.31 1816.7957760 0.46 1823.6158450 0.72 1854.5762940 0.34 1873.7546390 0.36 1874.5350340 0.37 1895.8204350 0.32 1898.7203370 0.30 1908.8697510 0.25 1936.3140870 0.10 1949.1073000 0.49 1961.5648190 0.84 1963.3748780 0.15 1990.8651120 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1012.2 Annotation Unknow Peak:m/z Relative Intensity 311.1804199 0.16 316.4646912 0.12 323.1568909 0.22 327.9148560 0.04 337.4522705 0.05 347.1457520 0.06 358.4274902 0.05 359.0492554 0.06 373.3926392 0.15 378.6963806 0.13 393.3843079 0.15 396.2435913 0.22 409.4747925 0.21 411.0043640 0.30 413.0036011 0.06 415.3418884 0.40 419.2799072 0.19 425.0593567 0.09 445.1546021 0.20 447.2176514 0.09 459.9754333 0.04 461.1514893 0.20 465.4622803 0.22 467.5939331 0.06 473.3768616 0.49 475.4964600 0.27 477.5959473 0.10 482.3880920 0.17 488.2645264 0.03 495.3018799 0.16 500.1161499 0.26 507.5989380 0.07 517.4725342 0.19 518.3929443 0.26 521.9350586 0.37 525.1429443 0.34 530.9999390 0.10 533.9838867 0.08 538.8901367 0.45 539.7106323 0.98 542.9682007 0.03 562.1862793 0.60 563.6224365 0.14 564.4090576 0.19 570.5339355 0.14 571.3472290 0.05 578.2059326 0.20 579.6298828 0.15 581.3993530 0.47 587.3635254 0.27 588.4373779 0.16 592.3143311 0.26 601.0031738 0.15 623.4161987 0.13 636.2171631 0.30 641.0964966 0.14 655.8391724 0.17 663.2791748 0.04 668.6494141 0.06 674.6176758 0.12 677.6588135 0.15 681.4572754 0.08 682.4681396 0.07 683.3645020 0.04 686.4969482 0.59 690.2881470 0.44 691.6134033 0.21 695.3445435 0.47 698.5357666 0.08 700.4777832 0.28 712.5665283 0.20 728.7534180 0.10 730.6938477 0.78 734.8340454 0.12 735.5383911 0.16 745.2767334 0.34 766.5704346 0.05 767.6302490 0.12 790.8316650 0.09 795.9957275 0.07 800.6325684 0.03 805.8498535 0.19 810.6672363 0.11 811.7016602 0.07 818.1413574 0.14 818.8481445 0.32 834.6185303 0.19 849.7058105 0.06 851.5350342 0.12 852.6343994 0.16 860.3430176 0.10 875.3857422 0.14 877.0244141 0.07 890.5101318 0.19 893.5031738 0.12 900.8304443 0.14 912.4829102 0.28 930.9321289 0.15 936.3975830 0.53 943.7440186 0.07 958.3122559 0.31 963.8526611 0.18 965.7031250 0.28 975.8937988 2.08 977.8515625 3.44 979.6547852 0.70 986.3452148 0.54 989.3303223 1.68 990.0336914 1.12 991.7314453 1.68 992.3574219 4.68 993.4194336 2.28 994.7196045 0.98 995.9738770 5.80 998.1845703 4.47 999.0585938 0.38 999.8116455 0.14 1000.7957760 1.12 1003.3144530 0.24 1012.0645750 0.14 1022.7385250 0.20 1027.1726070 0.83 1033.9611820 0.48 1038.8692630 0.44 1041.3464360 0.09 1042.5781250 0.17 1044.0886230 0.89 1044.8066410 2.36 1046.1690670 0.15 1046.8969730 0.23 1049.8862300 0.34 1050.5535890 0.06 1052.4228520 0.11 1054.3714600 0.52 1056.9121090 0.19 1059.9271240 0.21 1061.4523930 0.57 1063.5417480 0.53 1064.8513180 0.45 1066.3757320 1.15 1067.4376220 0.46 1070.3393550 2.37 1071.7927250 0.30 1074.2745360 0.20 1075.3781740 0.17 1076.7325440 1.18 1078.0659180 0.05 1078.8073730 0.66 1085.0678710 1.29 1087.4238280 2.76 1091.7102050 1.46 1092.7114260 1.49 1097.0441890 2.46 1098.4809570 0.42 1099.8825680 0.51 1101.1149900 0.60 1102.5769040 1.13 1103.8315430 0.11 1104.7910160 0.59 1106.0654300 0.16 1107.0507810 1.18 1108.3221440 1.36 1109.2822270 0.13 1111.6279300 0.26 1118.8745120 2.78 1119.6772460 0.10 1121.2811280 2.15 1122.2369380 1.11 1123.9145510 2.76 1124.8317870 1.95 1126.4328610 0.75 1128.3173830 2.17 1129.2908940 1.22 1130.6535640 1.29 1131.7827150 0.08 1132.9941410 1.52 1134.4322510 3.39 1135.2741700 0.56 1136.0344240 0.68 1137.0675050 3.63 1138.0559080 5.21 1138.6611330 2.79 1140.1488040 19.21 1140.9514160 2.23 1143.2296140 100.00 1144.5096440 5.62 1145.5400390 2.93 1146.3411870 0.25 1146.9682620 2.82 1147.6621090 4.32 1148.5283200 1.05 1149.2250980 1.38 1150.1923830 0.05 1151.6948240 3.61 1152.9967040 2.12 1153.7847900 0.74 1154.9089360 2.35 1156.1936040 5.88 1156.9851070 1.11 1159.3792720 27.63 1160.5593260 1.42 1161.4792480 2.20 1162.5852050 1.41 1164.3901370 8.90 1165.3687740 0.54 1166.1037600 3.54 1166.8883060 0.35 1167.8903810 0.13 1168.9918210 5.92 1169.7469480 1.36 1171.6933590 0.31 1174.1884770 0.06 1176.5256350 0.20 1185.8687740 0.23 1191.9520260 0.74 1194.3337400 0.35 1198.2687990 2.20 1200.1517330 0.06 1201.8088380 1.45 1202.4145510 0.11 1203.1152340 0.06 1203.9266360 0.20 1207.2381590 0.26 1208.1909180 2.06 1211.6158450 0.16 1213.9444580 0.07 1214.5894780 0.24 1219.6115720 0.08 1220.6894530 0.94 1224.1577150 0.33 1224.8264160 1.08 1225.8957520 0.05 1226.7155760 0.20 1230.3249510 0.82 1233.5791020 3.01 1234.9758300 0.93 1236.4265140 1.45 1237.3320310 0.47 1238.8786620 1.45 1239.7591550 0.56 1241.1755370 1.25 1241.8851320 0.53 1243.1354980 1.33 1244.2126460 0.80 1244.9980470 0.08 1247.1097410 1.44 1248.0485840 0.04 1249.6179200 1.18 1253.3359380 1.69 1255.7219240 1.06 1258.2833250 0.78 1259.0854490 3.74 1259.9074710 0.55 1262.6743160 0.06 1264.0954590 0.68 1265.2312010 0.11 1266.0080570 0.63 1268.1942140 0.31 1269.2729490 1.32 1270.0737300 0.48 1270.7747800 0.24 1275.2941890 0.12 1276.3237300 0.96 1280.3432620 0.67 1282.2050780 0.06 1283.0727540 0.15 1284.2659910 1.42 1285.4606930 0.82 1286.5323490 1.07 1288.5427250 0.31 1290.0767820 1.65 1290.7620850 0.70 1291.3701170 0.15 1292.5867920 0.15 1293.5804440 0.59 1295.2587890 1.37 1295.8879390 1.28 1299.0523680 2.03 1299.9681400 1.05 1300.6983640 0.10 1301.4244380 0.66 1302.0988770 1.72 1302.9606930 0.95 1303.7585450 1.32 1305.1295170 1.55 1306.3470460 0.14 1307.2679440 0.91 1308.1918950 1.46 1309.8646240 2.89 1311.1583250 1.41 1312.1772460 1.70 1312.9481200 0.42 1314.8868410 0.42 1316.0915530 3.32 1318.1444090 0.27 1318.9815670 1.15 1320.0473630 2.56 1320.8771970 2.45 1321.9320070 1.49 1322.5635990 1.28 1323.6683350 0.85 1325.3817140 1.91 1326.5428470 9.74 1327.8162840 1.79 1328.7893070 2.03 1329.8924560 1.52 1330.9938960 0.85 1334.1865230 1.34 1335.4134520 0.11 1337.0786130 2.27 1338.2183840 1.76 1339.0659180 1.05 1340.2606200 1.46 1342.5295410 0.23 1345.0301510 1.75 1346.0028080 5.92 1346.6478270 2.40 1347.7747800 0.51 1348.6452640 2.63 1349.6131590 0.44 1350.3726810 0.36 1351.5545650 0.99 1352.3658450 2.07 1353.7303470 1.32 1354.4046630 0.50 1355.3931880 0.16 1357.1834720 1.22 1358.5135500 1.71 1359.7493900 0.15 1360.8348390 0.15 1362.1544190 0.28 1362.9807130 0.55 1364.6656490 0.34 1365.5620120 0.40 1367.8287350 2.06 1370.4454350 0.58 1371.8170170 1.08 1373.3734130 3.02 1374.2742920 0.32 1376.6075440 2.77 1377.2513430 1.23 1378.3402100 0.64 1380.8719480 0.17 1383.5286870 0.50 1384.2197270 0.42 1388.5344240 0.58 1391.8170170 0.62 1393.7038570 0.35 1396.1590580 0.39 1399.8538820 0.70 1400.7691650 0.25 1406.2093510 0.99 1409.5030520 0.38 1411.6363530 0.48 1413.0455320 1.92 1415.1176760 0.75 1416.5147710 0.19 1421.1467290 0.47 1423.7493900 0.19 1424.5093990 1.27 1427.0643310 0.43 1431.3641360 0.59 1432.7076420 0.74 1435.9202880 0.16 1437.8820800 0.62 1439.0538330 0.12 1439.9112550 0.07 1440.9416500 1.93 1445.2596440 2.69 1446.3527830 0.92 1448.6114500 0.96 1451.0350340 0.16 1453.5783690 1.43 1457.1868900 0.49 1458.6811520 1.46 1459.7962650 0.32 1464.1715090 0.68 1469.7357180 1.45 1473.3610840 0.91 1474.6175540 0.12 1475.9945070 0.06 1477.2386470 0.71 1479.6250000 0.41 1481.0034180 0.97 1482.9193120 0.20 1486.6934810 0.08 1496.9678960 0.38 1502.5810550 2.45 1503.9724120 0.33 1509.7329100 1.82 1510.5241700 0.05 1511.9968260 0.53 1513.0075680 0.26 1517.2454830 1.25 1519.1936040 0.42 1520.2652590 0.22 1523.6136470 0.59 1525.0216060 0.70 1527.0195310 0.39 1530.9111330 0.73 1531.7902830 0.13 1542.8513180 0.78 1550.4569090 0.95 1553.9099120 0.62 1559.3155520 0.16 1562.9385990 0.96 1564.4058840 0.13 1566.3758540 0.86 1569.6064450 0.76 1571.4329830 0.74 1576.4823000 0.21 1577.9322510 0.17 1586.7541500 0.35 1587.9178470 0.33 1590.8767090 0.15 1593.8471680 0.28 1597.4123540 0.11 1600.1585690 0.10 1605.3342290 0.61 1609.1444090 0.52 1619.8050540 0.16 1621.5274660 0.27 1624.4342040 0.29 1633.4796140 0.30 1640.8155520 0.30 1645.2723390 0.53 1655.0919190 0.38 1668.3385010 0.05 1673.6403810 0.11 1675.0197750 0.21 1682.6794430 0.16 1686.2474370 0.36 1689.6361080 0.04 1690.2945560 0.65 1697.3018800 0.09 1700.6760250 0.66 1707.0672610 0.44 1716.1984860 0.14 1716.8795170 0.32 1724.7371830 0.72 1728.9772950 0.64 1730.5216060 0.31 1745.0948490 0.11 1753.8470460 0.23 1757.3843990 0.39 1760.9270020 0.16 1763.7238770 0.29 1770.6877440 0.29 1771.6531980 0.51 1777.6190190 0.15 1784.9710690 0.17 1792.4539790 0.33 1810.2530520 0.56 1813.3255620 0.37 1825.3067630 0.37 1830.8815920 0.07 1835.1037600 0.05 1846.0645750 0.28 1856.4527590 0.36 1859.4603270 0.21 1868.8311770 0.08 1871.6574710 0.05 1875.9434810 0.31 1876.9918210 0.67 1881.6097410 0.61 1886.4947510 0.37 1887.1502690 0.09 1888.2054440 0.07 1917.5352780 0.29 1919.2354740 0.44 1926.4305420 0.23 1929.7961430 0.13 1932.9675290 0.06 1944.5906980 0.07 1952.8767090 0.09 1957.7810060 0.19 1972.8233640 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1411.6335 Annotation Juncin K Peak:m/z Relative Intensity 395.2075195 0.90 396.0129089 0.07 407.0696106 0.22 421.4044800 0.09 423.5006104 0.06 453.3161011 0.19 456.7869873 0.05 467.1961365 2.08 468.1549683 0.30 471.3217773 8.12 472.6353760 0.17 483.6322021 0.07 485.0372925 0.15 513.3023682 0.11 514.0391846 0.15 525.5178833 0.23 529.4184570 2.75 583.5877075 0.09 628.9818115 0.10 633.3491211 0.09 727.3851929 0.08 745.5356445 1.17 775.4063721 0.17 781.9441528 0.06 795.1781006 0.23 920.9968262 0.19 925.3946533 0.49 939.4295654 1.31 940.4948730 0.27 943.4781494 100.00 944.5451660 15.67 985.4566650 2.51 986.5321045 0.68 1001.2561040 0.15 1025.0881350 0.19 1025.8638920 0.20 1026.4776610 0.18 1043.8104250 0.09 1087.5020750 0.21 1114.4589840 0.27 1139.4143070 0.16 1249.0732420 0.54 1267.1217040 0.34 1268.1093750 0.17 1366.8100590 0.22 1367.4863280 0.12 1373.2613530 0.17 1394.0368650 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 852.9177 Annotation Unknow Peak:m/z Relative Intensity 246.1407776 0.81 247.3463440 0.10 292.0997620 0.03 295.3083496 0.11 296.1213684 0.13 299.1592407 0.14 304.9555664 0.16 312.4170227 0.06 313.4504395 0.03 318.2083740 0.09 323.2996826 0.05 325.1511841 0.07 330.3391418 0.06 332.3453369 0.04 341.9558716 0.05 353.2405396 0.14 356.4414062 0.09 364.3864746 0.05 372.3746948 0.08 374.2783813 1.11 375.5958862 0.12 378.6829224 0.04 380.3097534 0.02 391.2520142 0.08 392.1026001 0.36 396.3812866 0.41 400.4772949 0.12 408.2292480 0.10 409.5866699 0.14 412.3054810 0.09 426.4265137 0.48 427.3720703 0.04 431.3944092 0.08 435.5418701 0.05 441.3230591 0.13 442.3286133 0.56 458.3592529 0.33 465.5903931 0.18 470.4189453 0.03 471.2885132 0.08 479.5960083 0.03 483.3572998 0.44 484.0759888 0.04 488.0219727 0.13 506.2063599 0.18 507.4002075 0.04 508.9525146 0.12 523.2672119 0.12 524.6004028 0.06 537.2223511 1.29 541.3640747 1.53 542.5137329 0.34 550.4455566 0.17 555.5535889 0.05 558.5598755 0.03 561.4257202 0.13 562.3795776 0.13 566.5046997 0.09 568.3895874 0.04 569.5762939 0.05 570.8594360 0.21 578.3978882 1.35 579.2241821 0.46 580.4495239 0.18 585.2098999 0.30 594.4338989 0.14 595.7627563 0.39 596.4490356 2.55 597.4338379 0.25 598.6769409 0.05 608.9581299 0.03 609.9789429 0.13 618.1900024 0.36 620.4046021 0.08 627.7883301 0.07 629.3537598 0.12 630.5532227 0.18 636.3571167 0.20 643.4686890 0.07 645.8175049 0.76 646.7390747 0.27 652.2523193 0.76 653.5615845 0.32 655.0083618 0.37 657.2420654 0.08 658.4954224 0.04 662.6674194 0.13 664.1819458 0.40 665.3886108 0.03 666.6019897 0.34 669.5280762 0.12 671.9380493 0.15 673.1033325 0.16 675.8047485 0.40 676.4121094 0.15 677.5685425 0.07 680.7551880 1.10 681.8433838 0.76 686.2096558 1.00 690.7326050 0.06 693.3512573 0.12 694.9226685 3.43 695.5436401 3.68 696.2614136 0.04 699.7267456 0.26 702.1477661 0.10 706.0031128 0.15 706.6411743 0.15 707.3769531 0.10 711.2940674 1.41 712.4591675 0.31 714.3599243 0.56 715.1201782 0.06 716.8626099 1.06 718.4660034 0.39 720.2108765 0.26 721.3500366 2.18 721.9981079 2.73 723.0657349 0.47 728.0758667 0.25 730.6813354 28.17 731.5818481 4.56 732.5290527 0.20 734.2255249 0.34 735.4969482 0.35 736.1986694 0.19 737.6106567 0.14 738.7551880 0.03 739.7828369 0.22 741.0200806 0.03 742.1460571 0.19 744.2632446 0.68 745.0571289 0.32 749.6419067 0.13 751.7887573 0.31 753.0883179 0.19 755.6283569 0.08 757.4381714 0.89 758.8444214 1.01 759.6533813 2.79 760.6911621 0.13 761.5841675 0.11 762.9149170 0.25 766.1329956 7.00 768.1685791 100.00 769.0341797 16.42 769.9633179 0.74 770.8947144 4.77 771.5061646 4.71 772.1109009 1.61 772.9637451 0.46 775.1594849 0.16 776.0873413 0.18 778.8757935 0.11 780.1713257 92.95 781.0007935 13.93 781.9540405 1.33 783.0435181 0.29 785.0186157 0.14 786.1096802 0.20 787.5316772 0.14 791.8337402 0.09 792.7808228 0.54 793.6144409 0.16 795.6987305 0.04 804.2053223 0.10 808.5243530 2.69 809.4365234 0.42 810.6376953 0.05 811.5804443 0.03 812.5942383 0.03 814.7543945 0.06 817.4133301 0.18 818.5718994 0.24 821.7024536 0.26 823.0669556 0.39 824.6756592 0.04 826.5272827 0.49 828.1407471 0.04 829.1901855 1.45 830.9843750 0.14 831.6187744 0.22 832.6561890 0.16 833.3526001 0.18 835.1976929 0.78 836.3793335 1.11 837.0628052 2.23 837.9616089 0.25 839.5062866 0.10 840.3958740 0.14 844.0967407 1.57 844.9906006 0.53 856.1733398 0.05 865.6249390 0.07 870.4572754 0.05 876.3671265 0.08 879.7035522 0.15 881.7289429 0.12 882.4694824 0.11 883.6295776 0.18 884.7150879 0.17 885.5028687 0.07 886.7123413 0.51 892.4465942 0.06 897.4318237 1.21 898.4489136 0.75 899.7598267 0.09 905.1802368 0.05 910.8838501 0.09 917.2208862 0.04 919.6317749 0.04 920.6299438 0.05 925.5834351 0.12 938.8024902 0.08 949.0809937 0.19 956.4209595 0.12 961.6029663 0.04 963.5642700 0.09 964.6074219 0.22 970.7229004 0.03 973.4316406 0.05 974.8938599 0.03 977.9199829 0.23 978.5233765 0.09 981.1911621 0.09 983.6580200 0.14 985.5046997 0.24 988.7089844 0.03 989.7330933 0.10 993.9647827 0.53 994.6957397 3.89 995.6237183 1.67 996.7175293 0.64 998.5339966 1.00 999.6567993 0.19 1000.5514530 0.21 1001.5422360 0.05 1002.2327270 0.25 1006.8408200 0.04 1013.9155880 0.03 1015.3776250 0.23 1018.6144410 0.41 1019.9199220 0.40 1029.7917480 0.24 1034.9100340 0.04 1037.5544430 0.03 1043.7226560 0.08 1046.5122070 0.19 1049.5043950 0.09 1053.4902340 1.26 1054.5364990 0.62 1055.6851810 0.09 1078.1284180 0.06 1092.6033940 0.04 1102.7618410 0.06 1109.5515140 7.21 1110.7202150 1.71 1111.5831300 0.23 1117.5788570 0.05 1121.6999510 0.04 1132.3891600 0.03 1133.3649900 0.23 1134.2360840 0.16 1134.8686520 0.07 1143.9636230 0.18 1145.3483890 0.12 1147.9660640 0.22 1148.7714840 0.03 1152.8640140 0.05 1161.6013180 0.37 1162.8109130 0.21 1163.6745610 0.09 1164.5112300 0.09 1168.5494380 2.02 1169.5129390 1.06 1170.1999510 0.05 1170.8997800 0.25 1175.6455080 0.03 1180.1245120 0.06 1190.7993160 0.11 1203.9367680 0.09 1216.3387450 0.12 1217.7392580 0.36 1218.6328120 0.15 1219.9431150 0.38 1220.7838130 0.03 1222.7651370 0.61 1223.8259280 0.67 1234.9985350 0.12 1241.9035640 0.17 1244.7923580 0.16 1247.0026860 0.10 1258.1772460 0.08 1261.9246830 0.09 1262.7187500 0.19 1264.2910160 0.12 1272.3594970 0.10 1278.5203860 0.14 1279.7569580 0.08 1290.0010990 0.68 1291.4737550 0.28 1294.8768310 0.06 1297.8126220 0.17 1302.6474610 0.09 1306.1431880 0.25 1306.8514400 0.26 1307.4515380 0.06 1309.7722170 1.55 1310.8927000 0.78 1311.7762450 0.12 1313.7252200 0.17 1315.8824460 0.18 1327.4669190 0.08 1331.7149660 7.39 1332.7244870 4.67 1333.7900390 1.27 1334.7618410 0.07 1349.4239500 0.07 1352.7005620 0.04 1358.7454830 0.04 1360.4239500 0.04 1364.8721920 0.11 1370.3326420 0.08 1371.4431150 0.15 1372.8056640 0.12 1377.7220460 0.05 1388.6745610 2.18 1389.7440190 1.49 1390.6640620 0.10 1391.3743900 0.11 1407.7479250 0.08 1432.6268310 0.05 1437.6672360 0.10 1438.7091060 0.03 1442.0211180 0.48 1442.7984620 0.23 1443.4890140 0.08 1444.6066890 0.24 1459.7009280 9.54 1460.8541260 6.52 1461.9000240 1.89 1469.3409420 0.03 1494.2935790 0.05 1512.3094480 0.11 1532.3444820 0.03 1534.8839110 0.74 1535.8167720 0.71 1536.9989010 0.10 1541.5345460 0.43 1542.1873780 0.07 1558.0992430 0.32 1558.8477780 5.38 1559.8284910 3.26 1560.8365480 1.52 1561.5361330 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 967.41 Annotation REBAUDIOSIDE A Peak:m/z Relative Intensity 967.4586792 100.00 976.9649048 35.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1205.5577 Annotation Lancemaside G Peak:m/z Relative Intensity 374.9245911 0.01 525.4993896 0.02 617.5224609 0.01 619.6208496 0.01 620.6671143 0.04 638.3775635 0.01 675.7490234 0.02 736.6626587 0.02 742.5589600 0.01 780.9134521 0.05 791.5636597 0.01 795.5580444 0.41 796.5232544 0.02 809.4692383 0.10 819.5521240 0.54 820.1894531 0.03 828.7341919 0.01 837.5028076 100.00 838.6097412 0.03 863.3017578 0.06 879.7110596 0.03 881.4353027 0.42 883.4666748 0.01 903.5474854 0.03 905.8775635 0.02 933.1649170 0.03 945.4880371 0.01 966.1683350 0.03 1013.4459230 0.01 1026.0842290 0.01 1081.6940920 0.02 1089.9168700 0.02 1091.0473630 0.05 1100.3906250 0.02 1107.6309810 0.01 1157.3601070 0.04 1161.1564940 1.43 1169.7169190 0.01 1185.9239500 0.03 1187.2687990 0.10 1188.0142820 0.18 1188.9572750 0.08 1191.7075200 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 385.11 Annotation 3'-O-beta-Glucopyranosyl plumbagic acid Peak:m/z Relative Intensity 112.9345093 0.26 134.8172913 0.02 149.0616150 0.01 153.2517395 0.02 157.1730652 0.02 174.8688354 0.31 203.1565857 0.03 205.0792084 0.16 206.9026337 0.02 208.9538422 0.05 217.0605316 0.04 223.0930786 0.45 230.9996948 0.18 235.7088623 0.04 247.1954346 0.43 249.0947266 8.61 265.4937134 0.02 267.0886230 100.00 269.0104980 0.03 275.2937927 0.01 294.1611938 0.08 295.0654297 0.10 298.1729126 0.02 312.0180664 0.05 323.4947205 0.02 324.1152039 0.02 325.1878662 0.03 338.3544922 0.03 339.2998657 0.16 341.1025696 0.05 365.1046448 0.08 367.1631775 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 457.1198 Annotation 12-chloroisoplagiochin D Peak:m/z Relative Intensity 133.1442108 0.06 160.9800720 0.20 179.0006714 0.91 234.9371948 0.06 259.0973511 0.05 277.2088928 0.11 295.1243896 0.16 341.1478271 100.00 341.7606506 0.19 377.1969299 0.08 383.2791443 0.02 427.3520508 0.02 439.1534119 2.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 771.3496 Annotation Pluramycin A Peak:m/z Relative Intensity 328.4005432 0.08 424.3265991 0.12 428.7957153 0.17 441.2740479 0.08 477.4784546 0.14 527.1582031 0.06 559.4935913 0.04 564.9850464 0.07 610.6152954 0.10 625.2332153 0.09 638.4908447 12.32 639.3761597 0.23 656.4751587 1.75 657.4155884 0.18 684.0442505 0.09 692.1292114 0.53 709.4512329 0.52 717.1136475 0.07 718.3856812 3.60 726.6043701 0.12 727.5515747 0.07 735.2479858 3.57 736.3234863 22.51 739.3687134 0.27 740.6418457 0.15 753.3695679 100.00 754.2970581 1.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 720.2626 Annotation Unknow Peak:m/z Relative Intensity 201.9953308 0.07 203.1469421 0.06 205.2951660 0.01 206.9179993 0.03 215.2016449 0.08 217.0405579 0.03 219.3439026 0.02 225.3037415 0.01 226.8942261 0.03 233.1111755 0.17 234.3894653 0.06 235.1768494 0.09 238.1539307 0.06 239.2481995 0.03 243.0328064 0.11 245.2453613 0.13 247.1056976 0.12 249.1849976 0.02 250.9568176 2.24 252.0088043 0.44 255.9574280 0.04 256.9906006 0.05 260.3081055 0.02 261.1903687 0.15 262.9146729 0.05 269.2145996 0.31 271.1423035 0.08 272.1517334 0.15 274.0767517 0.20 286.4430542 0.03 287.3087769 0.11 289.0984497 0.36 290.2117615 0.16 291.2659607 0.18 295.3853149 0.01 302.3084106 0.12 305.1626587 0.32 306.0967407 0.09 308.0908813 10.59 309.1148376 3.55 310.1059570 0.19 311.2115173 0.01 313.7040405 0.05 316.1100464 0.07 317.7576294 0.07 320.2262268 0.04 323.2411499 0.55 324.2380676 0.07 325.9500732 0.41 329.9873657 0.02 332.2467651 0.36 333.9817810 0.06 339.3228149 0.08 341.1196289 1.09 341.9452515 0.09 343.1685791 0.02 344.2587891 0.02 345.4393311 0.03 350.1056519 0.12 353.7494507 0.03 358.5512085 0.06 363.1313477 0.40 364.3258667 0.16 369.3480835 0.01 372.3641968 0.05 373.7394409 0.03 377.4426880 0.02 382.0586548 0.02 383.1976318 0.06 386.1849365 0.16 387.6076660 0.02 388.4417725 0.08 392.0676880 0.06 395.3533936 0.04 396.0379639 0.04 397.4081421 0.05 398.2693481 0.16 399.0133667 0.01 400.3208008 0.06 402.3217163 0.03 411.1010742 3.49 412.0919800 0.61 413.1796265 0.16 416.2959595 0.43 417.2677002 0.03 419.5362549 0.05 420.6276245 0.08 426.4118652 0.09 429.0982056 16.91 430.1140137 2.62 434.1643066 0.47 435.0715942 0.30 438.1633301 1.39 439.2843628 0.14 440.3586426 0.04 441.1237793 0.01 442.9707642 0.10 447.2796021 0.06 452.2258301 1.39 453.2623901 0.55 454.1130371 0.02 456.2849731 0.06 458.4603271 0.03 461.3999634 2.07 462.3036499 0.16 463.3878174 0.14 465.2340088 0.12 466.2136230 0.07 468.3461914 0.04 470.1788940 6.53 471.1303101 0.98 477.2324219 0.02 478.3911743 0.06 481.2808228 0.05 483.2287598 1.44 484.2677612 0.18 485.0327148 0.08 488.9442139 0.19 490.4458008 0.27 493.3587646 0.02 494.2887573 0.02 496.3427124 0.07 505.5744629 0.02 508.3573608 0.07 514.2565308 0.06 516.0167236 0.15 518.1747437 0.08 519.7583008 0.02 521.1004028 0.04 522.0615845 0.02 526.5878296 0.05 528.1832886 0.06 529.4025269 0.03 533.3494263 0.03 534.4713745 0.01 537.1422119 0.07 540.1098633 5.26 541.2376099 0.71 544.3612061 0.08 549.9911499 0.22 551.2987671 0.02 555.1934204 0.53 556.2509155 0.09 558.1478271 100.00 559.2520142 16.09 560.6257935 0.11 561.4075317 0.04 563.3616333 0.05 564.2294312 0.03 568.8806152 0.06 571.8129272 0.04 573.1788940 1.33 574.2223511 0.16 582.2052612 0.19 583.3688354 0.06 585.3378906 0.05 587.6480103 0.01 588.6384888 0.06 591.1185913 1.81 592.1716919 0.22 593.3815308 0.04 595.2693481 0.05 597.3674927 0.05 598.4210815 0.06 599.5349121 0.24 600.2174072 0.27 600.8608398 0.09 601.4680786 0.21 604.1550903 0.02 605.0711060 0.09 607.6806641 0.04 609.2174683 0.02 613.0393677 0.01 615.3970337 0.09 616.8225708 0.08 617.5485840 0.06 618.2241821 0.09 620.3203735 0.01 624.1376953 0.05 626.1037598 0.08 628.6904907 0.08 630.2334595 0.10 631.3630981 0.07 632.1201782 0.17 634.6242065 0.37 636.2802124 0.25 638.1529541 0.11 640.9668579 0.03 644.4424438 0.02 645.6493530 0.28 646.2647705 0.02 649.3663940 0.37 650.4526978 0.16 654.7230225 0.23 656.5190430 0.16 663.3629761 0.09 665.7114258 0.43 666.3811035 0.33 667.1519775 0.47 667.8552856 0.20 669.1691284 0.16 671.2738647 0.24 672.1680908 0.15 672.8565063 0.18 673.5782471 0.08 674.6499634 0.02 676.0770264 0.36 677.4633179 0.07 678.8554688 0.10 680.1893921 0.14 681.0491943 0.32 683.0314331 0.09 684.1385498 1.68 685.3056641 0.68 686.1090698 0.03 687.4093018 0.01 688.2329712 0.05 689.4423218 0.37 690.1705933 0.02 691.6394653 0.46 698.8323364 0.05 700.6815796 0.05 702.2028198 7.00 703.2306519 2.28 708.9910889 0.11 710.2451782 0.20 711.4998779 0.08 712.3954468 0.06 713.2129517 0.05 728.0950928 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 721.3633 Annotation Denin Peak:m/z Relative Intensity 227.0581665 0.14 235.1053619 0.14 277.3056641 0.14 305.1635742 0.09 314.1564026 0.05 343.0463867 0.06 370.6754150 0.10 397.2360840 10.69 415.3104858 1.88 426.0941162 0.07 455.9794312 0.07 482.7954102 0.46 560.1267090 0.18 576.5513306 0.08 625.4627075 0.17 649.5372925 0.24 675.2705078 100.00 685.7112427 0.06 694.6301270 0.08 702.0227051 0.16 703.6770630 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 416.1361 Annotation Xylostosidine Peak:m/z Relative Intensity 133.0203247 100.00 135.6889648 0.09 157.7232361 0.17 161.0691681 0.16 167.2743683 0.27 169.0685425 0.40 170.0689087 0.30 171.2140198 0.15 177.1122437 0.63 178.0091858 0.08 185.1690216 0.08 187.0743561 0.22 189.2231140 0.20 195.1607361 0.69 196.1305237 0.06 197.0644836 0.92 198.2142334 0.45 200.1499634 0.25 201.0276489 0.63 202.2495575 0.27 203.0942383 0.53 204.0740662 0.24 205.0202026 0.06 208.3257446 0.29 211.2023010 0.16 213.2996674 0.11 214.1491547 0.33 219.2465820 0.39 220.2490997 0.28 221.1206970 0.47 230.1961060 0.35 231.1608276 0.23 232.0453796 0.95 235.1868286 0.12 236.0635071 0.20 239.0929260 0.04 242.1259766 0.28 247.8222656 0.08 254.0315552 18.57 258.1811523 0.09 260.2531128 0.25 264.9818420 0.27 266.1301575 0.09 268.3409729 0.10 272.4050293 0.31 273.3196411 0.14 274.3787231 0.08 275.1100464 0.07 280.8671265 0.24 282.1657715 0.06 284.1524658 2.92 286.3370972 0.23 287.4102783 0.25 290.1534729 0.23 292.3783569 0.22 293.9995728 4.52 294.7322693 7.05 295.4304199 0.08 296.2232056 0.79 297.3704529 0.05 298.2078247 0.46 300.3006897 0.32 301.2597351 0.18 304.3640442 0.79 308.8221436 0.48 310.0297241 0.33 312.1051331 0.05 314.0482788 0.30 314.8320312 0.39 316.0685120 3.10 317.0241089 0.25 322.8862305 0.30 326.1067200 1.52 327.2065125 0.32 328.3452759 0.85 332.1944580 2.34 335.9785767 0.27 337.5866394 0.19 341.0290527 0.07 343.2053223 0.41 347.3375244 0.36 354.6058960 1.82 355.3768616 0.13 356.0370178 0.19 358.6229858 0.12 361.3531189 0.61 362.1058655 0.16 364.3954773 0.62 365.3967590 0.27 368.3439636 0.29 371.2479248 0.59 372.3495789 0.43 373.4803162 0.10 376.0705261 0.26 377.7092590 0.34 379.2976379 0.07 380.0032959 0.49 382.2357483 0.14 384.9462891 0.25 386.5031738 0.40 397.4176941 2.79 398.2615051 7.46 399.2837219 1.20 401.2566223 0.28 404.7125549 1.40 406.7321167 3.38 407.3815308 12.36 408.5492554 0.09 412.1658936 0.08 421.3821106 0.09 425.1425171 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 276.15 Annotation Epsilon-(gamma-Glutamyl)-lysine Peak:m/z Relative Intensity 83.8435593 0.11 86.9524841 0.13 101.9062042 2.07 105.8839417 0.15 112.0238495 0.12 114.0772171 0.32 119.9516296 28.41 126.0742188 0.16 129.0599060 2.65 132.1322937 0.46 135.9920654 0.11 140.1862793 0.22 146.8958740 0.08 148.1353760 0.11 150.0081177 0.43 151.1902924 0.24 153.8544769 0.27 155.0791016 0.26 156.9152679 13.82 159.0329895 1.05 161.8403931 0.12 168.0308228 0.53 171.0788116 0.33 173.0404663 0.47 173.8099213 0.35 175.8125305 0.74 177.1726379 0.50 180.2065277 0.07 185.0391235 0.41 186.4586029 4.14 187.0910492 30.40 187.9375153 0.18 189.7786560 0.20 191.0774536 0.15 197.9965515 0.30 200.3753052 0.54 201.2168579 0.38 202.1194458 0.34 203.0870361 0.42 211.0379333 0.16 212.0362854 1.31 213.0016174 0.20 214.4378662 0.44 216.0856018 0.89 217.0443420 0.93 218.1173401 0.20 221.1363525 0.18 221.9949341 0.17 226.6104126 0.08 228.0330505 1.04 230.1224670 2.44 230.7938538 0.15 231.5140076 0.61 232.2775574 0.16 234.0873718 0.79 234.9805908 0.98 239.2115173 0.12 240.2363281 0.42 241.0602112 0.42 244.1648254 0.52 246.3407288 0.46 247.2647705 0.13 248.2182617 2.85 249.1089478 0.05 258.0989380 100.00 259.2743530 1.00 265.3359985 0.06 267.3293762 2.59 269.7609558 1.11 276.1017456 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 341.0874 Annotation Prodiamine Peak:m/z Relative Intensity 96.9993057 0.03 112.9023056 0.61 119.0071640 0.53 125.1086884 0.06 131.0084686 0.32 132.1470795 0.12 132.9528351 0.49 135.1205444 5.82 142.9848022 0.86 148.5932922 0.07 149.2309723 0.15 155.0303345 0.04 160.9974060 28.90 162.0814819 0.05 163.3332672 0.04 170.2331696 0.03 177.1121216 0.57 179.0116272 100.00 189.0719757 0.12 196.9294739 0.04 202.9875183 6.33 207.2546234 0.03 208.0609283 0.05 213.9163208 0.09 221.0614929 1.12 226.2932434 0.15 233.1309204 1.24 243.0863037 0.09 245.1351624 0.16 251.0623169 2.74 258.2600098 0.04 265.2377930 0.14 267.4380493 0.05 268.6901550 0.11 281.1242676 4.47 285.0631714 0.07 293.2850342 0.16 294.3286133 0.17 295.1753540 0.55 297.2070312 0.58 299.3438110 0.10 305.1165161 0.30 312.9671326 0.07 323.0495605 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 981.2865 Annotation Unknow Peak:m/z Relative Intensity 389.9956055 0.19 485.1910400 0.03 555.6113281 0.19 560.2315674 0.06 565.0189209 0.07 569.3201904 0.04 573.2752686 0.12 583.2905273 0.34 602.2136230 0.27 625.4027710 0.73 643.2371826 1.93 644.2573242 0.63 663.1437378 0.25 691.6312256 0.08 717.2086182 0.04 736.0115356 0.15 749.6341553 0.14 759.4904785 1.77 760.2729492 0.10 764.4282227 0.12 776.6203613 0.43 777.3493652 3.04 778.4514160 0.65 801.4067383 0.33 805.2808838 0.17 806.4645996 0.53 819.2421875 100.00 820.2628174 33.10 837.2949219 0.13 853.2521973 0.11 861.1708984 1.55 862.1204834 0.63 862.7701416 0.40 891.6259766 0.14 892.2926025 0.28 921.2431641 0.19 939.3891602 1.15 940.3347168 0.26 941.9822998 0.26 960.4323730 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 345.1808 Annotation Unknow Peak:m/z Relative Intensity 101.8145218 0.10 104.9677429 0.01 109.9644318 0.02 120.0221405 0.96 120.8744125 0.02 129.0661469 0.07 131.8868561 0.05 134.1541748 0.04 136.0564575 0.01 143.0357971 0.05 147.3117981 0.01 157.1668091 0.02 158.9026337 0.03 160.5756836 0.01 161.1833649 0.19 162.0243835 0.11 167.0333099 0.03 171.1011353 0.02 175.1869507 0.06 177.1082306 0.07 179.0323792 0.02 180.9684296 0.01 183.0912170 0.08 185.0599365 0.27 187.2635498 0.03 189.0878906 0.03 190.9808044 0.02 199.1263885 0.09 201.1623535 0.03 207.0345459 0.04 207.9141541 0.01 213.0993958 0.32 214.1406860 0.16 215.0706482 0.07 220.8330688 0.04 222.1759644 0.01 224.2751160 0.03 225.9201050 0.04 227.1685486 0.07 229.4180298 0.04 231.2374573 0.01 232.1889343 0.07 235.3205261 0.14 237.0509644 0.03 239.3125305 0.01 241.1644592 0.03 241.9320679 0.04 243.1520996 0.04 244.0044861 0.01 251.0820618 0.24 252.1796265 0.06 254.9660034 0.24 256.1930847 0.06 260.1351929 0.01 260.9086914 0.04 266.7810059 0.07 269.4099121 0.01 271.2863770 0.06 271.8966675 0.08 272.6292419 0.04 274.2190552 0.06 278.8829956 0.04 281.1551514 0.06 282.0131836 0.08 284.9554749 0.14 288.4114685 0.01 289.1566772 0.04 290.2466125 0.04 291.2822266 0.03 292.3631592 0.02 294.1335449 0.03 295.2646484 0.03 296.5856934 0.16 299.2372742 0.06 300.0661316 0.08 301.2067261 0.07 302.1470337 0.08 303.2020264 0.06 308.5902710 0.04 309.3279114 0.08 310.2081604 0.01 311.1026001 0.02 312.2117004 0.10 313.3040771 0.03 314.1704102 0.10 315.1402283 0.04 315.9181519 0.05 317.9304810 0.25 319.4687500 0.06 322.3034668 0.30 324.0626831 13.29 325.2637939 0.08 325.8796387 0.09 327.3613892 1.11 328.2090149 0.18 328.9111023 0.04 330.8893433 0.01 333.3126221 100.00 334.0008850 1.35 334.6119690 0.39 335.7653198 0.82 336.5154419 0.56 337.6876526 0.23 339.1710205 1.75 346.3730164 0.04 352.8546448 0.76 358.5937195 0.07 359.2801819 0.04 361.3678284 0.13 364.3549194 0.13 365.3823547 0.06 367.0012817 0.03 369.0895691 0.06 370.1101379 0.03 372.5877380 0.10 373.2922974 0.05 374.1602783 0.02 375.4477234 0.05 377.1105652 0.07 378.0269165 0.06 381.2841187 0.09 381.9595032 0.04 383.4477234 0.05 391.3808289 0.11 395.7975769 0.10 397.4319763 0.14 401.3282776 0.05 402.2422791 0.09 404.3603210 0.09 407.0264893 0.10 409.3551025 0.52 410.3146667 0.13 411.3589783 0.10 413.2598877 0.01 417.0245972 0.01 418.2060852 0.19 420.2341919 0.08 421.3503113 0.13 423.6242981 0.21 424.3576355 0.07 429.7096252 0.24 430.4823914 0.05 432.0904236 0.05 435.0049744 0.95 436.0402527 0.04 437.6992493 0.24 438.4977112 0.04 439.8757935 0.03 443.5950623 0.06 445.1050110 0.09 446.3398743 0.13 448.9209290 10.62 450.2571411 0.15 451.7881470 0.05 452.7157288 0.08 453.4983826 0.02 455.5382996 0.06 457.8133850 2.03 458.5294800 0.81 460.2020874 0.04 461.2553406 0.08 462.4782410 0.01 464.3373413 0.07 466.3926392 0.03 467.1838074 0.03 467.9996643 0.03 472.4671326 0.07 474.5184631 0.02 475.4224548 0.06 476.4497986 0.67 477.4924622 0.09 478.2501831 0.07 486.5523987 0.04 488.1978149 0.06 501.9081116 0.03 504.4906311 0.05 505.4215393 0.02 506.3211365 0.02 510.5524597 0.02 514.9567261 0.02 515.5764771 0.07 516.2356567 0.05 520.5276489 0.13 521.5317993 0.03 522.5391846 0.08 525.6693726 0.02 526.8823242 0.04 527.5118408 0.05 528.3428345 0.04 543.3651733 0.08 548.4586792 0.18 549.1600342 0.01 553.4463501 0.06 555.3890381 0.20 556.2828979 0.05 556.9304810 0.01 567.6436157 0.03 569.4850464 0.04 571.5228882 0.01 585.5335693 0.01 589.5534668 0.01 590.4284058 0.05 592.4671631 0.04 601.2157593 0.02 642.4918823 0.01 676.4406128 0.06 698.4019165 0.03 733.6981201 0.02 761.4762573 0.03 789.7172241 0.01 808.6625977 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 452.28 Annotation PE(16:0/0:0) Peak:m/z Relative Intensity 140.0204163 0.09 153.0123596 0.11 185.8786774 0.03 195.9932251 2.46 214.0298615 0.82 237.2205658 0.02 255.2586365 100.00 255.8625793 0.66 271.3551331 0.04 316.2481689 0.01 359.2962036 0.02 361.1202393 0.01 364.1459961 0.02 389.4480286 0.03 391.3338013 0.54 406.2735901 0.01 408.6629028 0.03 433.1366272 0.04 433.9420471 0.08 447.0200195 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 712.197 Annotation Unknow Peak:m/z Relative Intensity 230.2000122 0.08 235.2557831 0.08 253.0901947 0.26 258.8875122 0.16 275.9873047 0.14 277.0747375 0.26 280.9732666 0.14 289.1145020 3.70 290.0967407 0.27 294.9807739 0.30 303.8647156 0.13 306.9957886 0.20 324.8964233 2.60 336.4448853 0.04 342.9605713 1.28 355.0654297 0.17 357.1776733 0.06 360.8969727 0.50 370.1012573 13.14 370.8963013 0.84 378.9920654 0.41 394.7690430 0.04 396.5725098 0.35 397.3741455 0.29 415.3079224 0.26 450.8638306 0.25 451.7214355 0.14 457.0667114 0.79 459.8438721 1.15 486.8847656 0.68 504.2748413 0.25 516.9733276 1.44 519.9749146 0.10 521.4599609 0.11 541.0688477 100.00 542.3212280 0.87 543.3295288 0.27 544.1444702 0.17 545.7031860 0.06 546.7451172 0.10 547.3733521 0.04 550.0965576 0.43 558.9049683 0.37 560.9220581 0.14 571.0051880 0.07 576.9812622 3.21 578.5418091 0.06 604.1812134 0.27 622.0072021 0.13 649.2828979 0.12 675.8610229 0.20 694.0441284 0.23 736.9444580 0.39 739.0198364 17.84 739.7625122 0.11 740.4058228 0.35 1080.6750490 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 696.4362 Annotation Unknow Peak:m/z Relative Intensity 212.8267212 0.43 217.0645752 0.42 218.9881592 0.29 221.1783142 0.76 223.3608246 0.31 228.9962769 0.38 235.3522644 0.08 238.2012939 0.10 243.3496094 0.07 251.2131500 0.20 265.1876831 2.05 267.2149963 1.29 272.2022095 0.09 276.1394653 0.12 277.2780762 0.28 278.7238770 0.30 281.2273560 0.44 283.1781616 0.31 288.2228394 0.73 289.0928955 0.25 307.8828125 0.33 309.2138062 2.81 311.2635803 0.74 313.1254883 0.55 323.1572266 0.45 324.2863159 0.39 327.0914307 0.27 337.1200562 0.12 342.4789429 0.25 352.3097534 0.37 353.0223999 3.11 355.5131226 0.57 358.1019897 0.24 360.2286377 0.21 370.8251343 0.15 371.4693604 0.93 381.9409180 0.19 397.1694946 3.72 399.4535522 0.06 414.6215820 0.14 415.3343506 0.40 417.2920532 0.45 427.1151733 0.20 428.4537354 0.92 429.5663452 0.24 430.4299927 0.15 431.2534790 0.09 433.4652100 0.25 434.9204102 0.31 441.0659180 1.57 442.4161377 0.24 443.2443237 0.50 444.6992188 0.91 445.4453125 0.23 447.2926025 0.25 454.1516113 0.21 459.1897583 1.84 471.5494995 0.12 472.3576660 0.36 473.2032471 0.10 481.3082275 0.09 485.4834595 1.27 487.4533081 0.43 491.3159180 0.12 495.0791016 0.48 496.3057251 0.54 502.2091675 0.09 503.0591431 0.13 503.7678223 0.36 504.4909668 0.12 507.8934326 0.09 512.2133179 0.16 513.9866333 0.13 515.1809692 0.07 521.7055664 0.29 523.9767456 0.58 525.1884766 0.38 527.2245483 0.34 529.2516479 1.51 533.7892456 0.40 534.4346313 0.43 536.3649902 0.47 540.3778076 0.17 543.3339233 1.06 547.1787720 0.87 552.3025513 0.83 555.0651245 0.10 561.4464722 0.27 565.9666748 0.45 567.2544556 0.69 568.3056030 0.12 570.8129272 0.84 572.2040405 1.25 573.3914795 1.33 577.7053833 0.25 580.6596069 0.06 582.5740356 0.15 583.4660645 0.21 586.2225952 1.31 587.4877319 0.31 588.8633423 1.76 591.4177856 4.35 593.3692627 0.37 594.4786987 0.63 595.5407715 0.35 600.5773315 0.09 602.1010132 0.59 603.5819702 0.52 606.2782593 0.17 608.6708374 1.11 610.6465454 0.89 611.5952759 0.94 612.8963623 0.60 614.5075684 0.41 615.3363647 0.26 616.0758667 0.07 616.7702637 0.44 617.5165405 2.25 618.2240601 0.16 621.2402344 0.30 622.0737915 0.07 623.8211060 0.81 625.6499634 0.45 627.4205322 0.53 628.3536377 0.59 629.2999268 0.64 629.9566040 0.48 630.6875610 0.46 635.2273560 4.49 636.8107910 0.37 638.7998047 0.32 644.1540527 1.65 644.9971313 1.45 646.0381470 2.10 647.5598755 0.21 649.5843506 0.12 650.2476807 1.23 651.1062622 0.81 652.1317749 0.94 657.2130127 1.06 658.7382202 0.33 659.4713745 0.63 660.2820435 1.87 661.3903809 7.34 662.0877075 2.59 663.0717163 0.77 664.2924194 0.59 666.3569336 2.59 672.6969604 0.46 673.5768433 0.26 675.2106934 0.72 677.2332764 0.09 679.2825317 100.00 680.0094604 0.20 682.1107788 1.91 683.7185059 0.61 686.0160522 1.16 686.9774780 3.15 687.8567505 0.18 688.5454712 0.33 706.4966431 1.42 708.5686646 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 630.88 Annotation Unknow Peak:m/z Relative Intensity 199.1729889 0.02 201.1175537 0.02 272.9972839 1.38 288.9612427 2.64 387.0407715 1.69 400.8284302 0.03 402.9234619 17.31 419.2546387 0.02 484.0805664 0.03 500.9554443 0.47 515.0820923 0.26 516.9287720 100.00 518.7036133 0.03 528.1184082 0.02 529.2907104 0.05 538.2837524 0.06 538.9829712 0.06 574.0229492 0.02 584.1215210 0.42 585.0280151 0.59 586.2927856 0.15 598.9132080 0.02 604.3048706 0.13 612.0934448 0.06 615.9155273 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 704.4 Annotation Isaridin A Peak:m/z Relative Intensity 197.8857574 0.14 206.1389008 0.28 211.1983490 0.06 211.9855347 0.19 213.0869141 0.21 217.1487885 1.92 226.1850433 0.19 226.9561005 0.10 228.1056213 1.41 234.1089020 0.11 242.2424927 0.10 243.0732574 0.22 245.1271210 0.31 248.9068298 0.16 262.0639648 5.78 265.4574585 0.18 275.2520752 0.16 282.2399292 0.12 284.2105103 0.12 286.1896667 4.12 288.1205139 0.05 296.4050598 0.20 301.0512390 0.08 302.9931641 0.15 306.2609253 0.28 308.9454956 0.65 312.2521362 0.11 313.2719727 0.30 314.2249756 0.05 323.1596680 0.33 326.2128906 0.09 330.3494568 2.29 341.2660828 3.04 347.3070374 1.02 350.4241333 0.13 356.4655151 0.42 362.3162231 0.30 367.3937988 0.15 368.1388550 0.23 375.1293945 24.29 375.7538452 0.13 383.3815918 0.12 385.2850952 0.14 387.3511963 0.42 391.4332275 0.11 396.0841064 0.21 397.4932251 0.25 399.5375977 0.17 401.2797241 0.33 405.3414307 0.14 406.9385986 0.27 408.2388306 0.35 413.2130737 0.57 414.6129150 0.16 415.2282104 0.19 415.8630981 0.06 419.2642822 0.73 424.8405151 0.15 429.6954346 0.18 432.4774170 0.14 443.3729248 2.35 444.4814453 0.26 447.1094360 0.53 455.9494019 0.61 460.3033447 12.25 465.3087158 0.08 470.6530151 1.33 471.3081665 1.33 472.3573608 0.16 473.2918091 0.25 475.7936401 0.32 479.2297363 0.07 484.4732666 0.07 485.4625854 0.12 488.2166138 100.00 488.9405518 0.28 490.4489136 0.75 496.2416992 0.98 498.4263916 0.77 499.5560303 0.07 501.4843140 0.36 502.4721680 0.88 503.4848022 0.12 504.6899414 0.15 516.3464966 0.29 518.5242920 0.36 520.4965820 0.10 524.1295776 0.20 527.8922119 0.43 529.7229004 0.19 532.7864380 0.26 539.6576538 0.09 540.4230347 0.08 541.2503052 0.37 542.2561646 2.12 543.2749634 0.12 546.8098145 0.07 547.4564819 0.38 548.2686157 0.89 552.9882202 0.20 555.4371338 0.62 557.4669800 0.12 559.0209351 0.74 562.3959351 0.18 564.2822876 0.16 565.3607788 0.20 566.4935913 0.09 568.1588745 0.08 570.4739380 0.22 573.4388428 0.07 575.3222046 0.19 578.3796997 0.24 579.8301392 2.72 581.7582397 0.50 583.3022461 1.38 584.5680542 0.82 585.4407959 2.00 590.4171753 0.29 591.4279785 0.23 595.8420410 0.16 597.5056763 0.26 603.0332642 1.28 604.4868164 0.10 605.2566528 0.08 606.6840820 0.08 609.0712280 0.07 610.4227295 0.82 612.7681274 0.31 615.4212036 2.88 616.5507202 0.61 617.4512329 2.19 620.0755005 0.58 621.4439087 0.62 622.9105225 0.23 628.7581177 0.50 629.4299316 0.39 630.8869019 2.27 631.5635376 0.66 632.5875854 9.44 633.4323120 0.44 636.9552612 0.20 643.5828247 0.41 644.7435913 3.00 646.1157227 0.56 646.8336792 0.16 649.0372925 0.29 651.0469971 5.97 651.8197632 1.73 652.9931641 0.61 654.6259155 0.39 655.5393677 0.18 657.2565918 0.20 659.0376587 0.63 659.8919067 1.65 661.4069214 3.67 662.8773193 0.54 663.6270752 0.83 664.3402710 0.13 665.4407349 0.55 666.2893677 0.08 667.5568237 0.33 669.1614380 5.31 670.0152588 0.50 670.8768921 1.31 673.0487671 0.79 674.2276611 0.71 675.4226685 0.53 676.2350464 0.44 679.1511230 1.19 680.2075806 0.72 681.4489746 0.12 683.6054077 0.31 686.2743530 1.60 687.3110352 1.91 687.9403687 0.90 688.9689941 0.41 691.5473022 1.68 692.4879150 0.69 693.1999512 0.62 695.8375244 0.56 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.13 Annotation Prodiamine Peak:m/z Relative Intensity 112.9977264 0.54 119.0938721 0.05 127.0337219 0.09 136.9777527 8.82 139.0656128 0.04 145.9089203 0.05 157.1594849 0.11 161.0748291 0.22 163.9061584 0.37 174.7628479 0.43 179.0062103 9.19 189.2469177 0.09 191.9230957 0.08 193.2019806 0.13 205.2076721 0.20 206.9832001 1.17 211.1231537 4.74 225.0420837 0.28 231.0146790 2.34 238.8620911 0.12 249.0654602 57.73 249.6749878 0.09 267.1235352 100.00 279.1778564 0.08 281.1333008 0.05 293.3320007 0.06 297.3655090 0.16 314.3920288 0.05 315.3693848 0.14 325.2771606 2.51 326.8876038 0.20 341.1306458 33.28 343.1879883 1.47 351.2367249 0.18 355.1622620 0.05 356.2803650 0.13 357.4486084 0.03 369.2195740 7.60 369.8619080 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 632.88 Annotation Unknow Peak:m/z Relative Intensity 198.9829712 0.02 217.1802521 0.04 230.1039734 0.03 231.0849152 0.06 245.1351624 0.09 273.0092773 1.71 274.1235962 0.82 275.0854492 0.47 277.2988586 0.04 289.0368042 4.40 289.9278870 1.02 291.0169373 1.03 380.2565308 0.08 386.9562378 0.76 388.0565186 1.10 389.0593262 1.56 402.9190063 14.68 403.9826050 7.20 405.0510254 10.11 406.1714478 0.07 439.3433838 0.03 470.8646240 0.04 475.0036011 0.10 486.1959839 0.05 487.5972290 0.04 500.7874146 0.14 502.1213379 0.13 503.1060181 0.36 516.9236450 42.22 517.9231567 48.75 518.8679199 100.00 519.5061035 0.24 546.2354736 0.04 561.0947876 0.10 577.0134277 0.04 585.9581299 0.33 586.8903198 0.05 588.6519165 0.79 591.5629883 0.09 602.9051514 0.19 615.1729126 0.10 671.3581543 0.10 728.6832886 0.06 731.9704590 0.12 745.1373291 0.12 746.0610352 0.08 748.0972900 0.03 761.0720825 0.06 761.7653198 0.06 764.1118774 0.09 846.6123047 0.02 861.8117676 0.15 874.7085571 0.04 875.5606079 0.03 877.5388794 0.05 988.7336426 0.21 989.8762817 0.41 991.6082153 0.63 1019.9048460 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 544.73 Annotation Unknow Peak:m/z Relative Intensity 206.6929016 0.21 208.8409576 0.15 290.8125610 4.65 292.3008423 0.80 292.9143066 5.08 296.6686401 0.09 298.5561523 0.03 314.9089966 0.02 339.0086060 0.02 368.9413452 0.02 374.7349854 1.70 376.5735474 4.64 377.3441162 0.02 381.8975830 0.02 382.8367310 0.11 398.7360229 0.16 399.7297363 0.02 400.7979126 0.19 408.6406860 0.09 413.8939209 0.01 423.0430908 0.04 424.7728271 0.40 436.9324951 0.05 437.5612793 0.20 438.7108765 0.96 450.8734131 0.01 454.5242310 0.06 458.6037598 17.20 460.5267334 100.00 461.3405762 0.06 478.4242554 0.09 479.2930298 0.01 479.8941040 0.06 480.7573853 0.21 483.6366577 0.52 484.7720337 2.16 496.6856689 0.04 497.2919312 0.08 498.5515137 0.76 499.2559814 0.01 526.9524536 0.02 527.7210083 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.3038 Annotation Unknow Peak:m/z Relative Intensity 287.1272888 0.06 297.3123779 0.06 305.0509033 0.08 323.0518188 0.21 365.2789917 0.08 367.0925903 0.04 379.0901489 0.03 395.3724976 0.10 417.0695190 0.43 419.2921753 0.14 425.2976074 0.10 431.2397461 0.05 449.2444458 0.20 453.5086060 0.08 467.2643433 5.74 468.2764282 0.26 471.7537231 0.25 472.5590820 0.02 493.3410645 0.02 502.2732544 0.03 513.3867798 0.42 517.4774780 0.04 566.5372925 0.04 570.7349243 0.16 579.2371216 0.03 583.8336182 0.04 589.3471680 0.04 597.6450806 0.04 598.6890869 0.19 600.9691162 0.43 607.5354614 0.09 613.4616089 0.14 615.5980225 0.10 622.1420288 0.07 629.5214844 0.13 631.4603882 0.47 632.6600952 0.03 633.5844116 0.41 634.4467773 0.21 639.5746460 0.62 643.4234619 0.07 652.4202271 100.00 653.6447754 1.85 654.6435547 1.09 655.4990845 0.36 656.4920044 0.15 657.2586060 0.11 658.4059448 0.10 659.4124756 0.13 661.7572021 0.04 664.5937500 0.06 666.3731079 0.06 777.5680542 1.27 778.5670776 0.09 795.6077881 0.73 796.4415894 0.03 819.4788208 0.48 820.5432129 0.02 835.4089966 0.07 837.5942383 13.44 838.5664673 1.13 895.5952148 0.08 1245.5963130 0.41 1305.5588380 5.10 1306.6667480 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 383.1194 Annotation Acetyl-maltose Peak:m/z Relative Intensity 127.0395508 0.12 143.0520935 0.08 146.9942932 0.02 153.0349731 0.05 173.0530853 0.12 191.0293579 100.00 199.8249817 0.02 201.9691315 0.02 202.9583740 0.03 218.9710541 0.03 223.1184998 0.03 235.1369019 0.03 245.8203735 0.10 323.0109863 0.33 336.2991333 0.09 341.1734009 0.85 344.2313538 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 651.2348 Annotation Unknow Peak:m/z Relative Intensity 277.0732422 0.34 291.1178284 0.05 307.9508667 0.19 309.2501221 100.00 341.2435303 0.39 503.2615967 0.20 533.1932983 0.06 543.1953735 0.07 544.4020386 0.15 559.1344604 0.03 607.2551880 0.13 619.5614014 0.02 632.5781860 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 697.1971 Annotation 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside Peak:m/z Relative Intensity 195.4346466 0.02 222.7994843 0.04 251.3318176 0.03 256.0134277 0.04 257.1002197 0.03 281.5395508 0.03 288.0376587 0.03 337.2343750 0.02 341.2570801 0.07 349.2056274 0.02 353.1674194 1.43 354.4479370 0.03 355.1870117 0.12 367.2267456 5.18 370.0517578 0.06 371.1926880 0.02 383.3161621 0.03 385.2941895 0.10 391.5447388 0.10 395.3057861 0.06 398.2327271 0.04 401.0701294 0.03 402.3937378 0.09 406.7221680 0.03 413.5357666 0.03 415.7810059 0.03 418.1030273 0.04 446.5178223 0.21 450.6244507 0.02 455.2595825 0.12 461.8818970 0.03 471.5354614 0.04 474.0598145 0.15 475.3559570 0.11 478.2113037 0.04 485.2968140 0.02 487.2903442 0.02 488.6459961 0.15 491.5397339 0.02 503.3606567 0.04 505.4347534 0.02 507.2199707 0.03 515.5015869 0.27 523.3076782 0.12 529.3034668 0.06 530.3759155 0.02 531.4992065 0.08 532.5104370 0.03 535.1845703 100.00 535.8331299 0.26 537.1251831 0.10 544.6635742 0.02 562.1741333 0.13 564.7415161 0.03 565.5511475 0.02 575.3989868 0.07 577.2366333 0.29 579.0739136 0.02 580.4730835 0.03 581.5091553 0.02 589.3865967 0.06 594.7406616 0.09 595.5616455 0.02 601.0401611 0.02 604.3093872 0.11 608.7235718 0.09 609.3289185 0.07 634.3951416 0.11 635.0900269 0.07 638.2911377 0.08 643.3060913 0.13 644.2752075 0.04 650.4346924 0.20 652.4979858 0.39 653.4486084 0.19 655.2719727 0.07 661.4140625 0.12 663.7004395 0.03 665.7847290 0.13 666.4099731 0.17 667.3919067 0.01 672.1200562 0.17 674.4223633 0.03 678.1563721 0.19 679.3858032 0.12 687.7037964 0.42 708.5384521 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 927.4937 Annotation Medicoside F Peak:m/z Relative Intensity 275.3821716 0.27 427.6481934 0.10 471.5335083 4.50 499.5316772 0.63 513.4088135 0.29 525.3613892 0.17 527.5873413 0.31 567.5612183 0.14 585.5151367 0.47 603.4611816 10.15 604.2073975 0.17 607.1632080 0.12 611.6736450 0.50 618.0285034 0.12 645.2334595 0.33 699.4074097 0.09 711.5142212 0.58 732.3947144 0.13 747.5148315 13.51 765.4913940 100.00 766.5832520 0.96 807.8141479 0.73 850.4880981 0.19 861.5592651 0.32 882.4092407 0.13 891.6598511 0.55 909.5915527 5.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1411.6376 Annotation Unknow Peak:m/z Relative Intensity 485.0028992 0.35 486.3415222 0.03 487.5647583 0.40 501.3962402 0.04 502.9802246 0.09 527.2473145 0.07 593.3406372 0.31 609.3449097 0.05 619.5067139 1.36 620.6441650 0.11 628.7672119 0.22 629.4174805 0.82 633.5308838 0.12 647.2766113 0.12 683.8909302 0.10 699.4101562 0.22 715.4266968 0.43 727.4066772 1.41 745.5856934 0.16 763.4669189 31.45 764.4588623 2.69 781.5134277 100.00 782.5827637 9.88 795.6211548 0.18 805.3787842 0.59 806.4277344 0.23 823.4636230 5.85 824.5775146 1.53 845.4489746 0.17 846.5916748 0.06 863.5277100 0.78 864.3007202 0.05 865.5525513 0.09 877.5855713 0.13 905.2657471 0.20 907.3596191 0.06 923.6578369 0.10 943.1987305 0.51 957.8996582 0.08 968.4400635 0.06 985.4660645 6.84 986.6901855 0.56 999.6270752 0.09 1027.4295650 0.56 1045.7703860 0.05 1051.7453610 0.08 1067.4558110 0.24 1069.6503910 0.04 1249.4560550 0.38 1267.4045410 21.77 1268.5498050 2.56 1309.4478760 4.48 1310.4300540 1.08 1349.3919680 2.19 1350.3817140 0.32 1363.5939940 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 335.098 Annotation 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran Peak:m/z Relative Intensity 102.8464813 0.02 118.9715347 0.09 127.0135117 1.05 155.0710449 0.04 161.0455017 0.67 167.1141815 0.05 170.8489990 0.08 175.0470581 0.04 179.1783142 0.04 191.0499573 0.05 206.4147949 0.02 209.0587463 0.07 218.8890076 0.04 228.9604492 0.03 244.9264526 0.02 249.2937927 0.08 257.1749268 0.05 263.0145264 0.03 267.3649597 0.16 271.1390381 0.06 273.5124207 0.07 274.8275757 0.21 275.4290771 0.01 278.3495178 0.03 289.0918274 100.00 290.1091919 0.08 291.1205139 0.09 293.2070007 0.06 299.2033081 0.19 300.1463318 0.03 301.2597046 0.06 306.2466125 0.02 307.2471313 0.07 317.0626831 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 341.1088 Annotation Lactulose Peak:m/z Relative Intensity 100.9258957 9.52 106.9049988 0.41 112.9745636 19.82 113.7016144 0.11 114.9489594 0.19 118.9621277 16.82 124.4068909 0.10 125.0146255 2.34 130.9652710 6.83 142.9448547 18.18 149.0037231 4.28 160.9374084 18.13 161.5938110 0.15 179.0114746 100.00 182.8525543 0.11 183.8692780 0.68 219.6785889 0.10 221.0699768 0.11 223.4227600 0.18 233.1047058 0.19 250.7662354 0.16 256.0967407 0.23 263.0082092 0.45 281.0468445 2.05 341.4817810 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 260.16 Annotation Glutaminyl-Isoleucine Peak:m/z Relative Intensity 81.8594894 0.06 83.8054810 0.04 85.8851166 0.07 87.9635010 0.05 89.9657974 0.02 97.9939880 0.05 99.7783203 0.06 116.1566467 0.03 119.9158020 0.15 123.1181183 0.03 124.1074371 0.09 126.9501648 0.13 128.0609589 0.03 129.0548248 0.67 130.1955719 0.11 133.8989563 0.04 134.8843536 0.06 135.6787415 0.05 140.0800934 0.10 142.3956451 0.09 143.0313416 5.33 144.2562561 0.10 146.8595123 0.18 150.0207672 0.04 151.9894409 0.14 153.9834137 0.08 155.0791779 0.05 158.2121735 0.04 159.2671204 0.11 160.0294647 0.05 160.9912567 0.90 161.5955658 0.03 162.2421722 0.04 166.0542145 0.17 168.1249237 0.11 170.9641418 100.00 173.1060028 0.09 175.9767303 0.19 177.2856598 0.12 178.0782013 0.04 179.9116058 0.12 182.0296173 0.24 183.1562195 0.37 185.0122223 0.26 185.9746246 0.33 187.1278534 0.06 188.2423096 0.08 189.1870728 0.53 191.1040192 0.08 194.1482697 0.03 195.9676666 0.04 198.9601135 0.12 199.8555908 0.34 203.9634094 0.10 210.6374512 0.27 214.0797272 0.89 215.1478882 0.49 216.1911469 0.52 217.0399933 0.08 217.9403229 0.44 218.7960663 0.20 223.2007141 0.04 224.1300201 0.17 226.0931549 0.16 227.2486877 0.21 228.0980072 1.44 229.9135895 0.26 232.0943146 1.01 233.2830811 0.18 235.0798492 0.06 236.0540161 0.04 241.1048126 0.40 242.1070099 2.91 243.1742096 0.89 244.0830688 0.05 245.1997528 0.04 246.2809448 0.02 247.0442963 0.15 250.8037720 1.26 251.9851685 0.76 253.9593964 0.33 274.3505859 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 642.8171 Annotation Unknow Peak:m/z Relative Intensity 195.2438354 0.34 198.9696960 0.06 201.2575989 0.12 209.1448364 0.21 217.1428833 0.28 222.3625488 0.25 227.1413269 0.35 229.3135376 0.35 239.9741516 1.00 241.1387939 1.22 249.2272186 0.12 254.0977478 0.06 258.3302612 0.77 259.1975403 1.46 264.1513367 0.15 272.2049255 29.92 273.2047424 2.87 280.2453003 0.09 283.1995239 0.12 284.3077393 0.22 287.1439209 0.26 293.9931641 0.13 298.1298218 0.55 300.1936035 2.70 301.1699524 0.20 311.1225586 0.17 323.6396484 0.05 328.2862549 0.32 329.2588501 0.06 329.9074097 0.08 331.1044922 0.41 339.1992798 0.31 343.1410522 0.42 345.4120483 0.17 348.2036743 0.08 349.4265747 0.64 351.1494751 0.37 352.2681274 0.10 358.0979614 0.12 369.3271484 1.22 370.0915527 0.34 379.0175171 0.10 383.2767334 2.53 384.2346191 0.70 386.3345337 0.23 387.2238159 4.29 388.3320923 1.47 399.2988281 0.23 401.2039185 11.90 402.2826538 3.62 403.3347168 0.96 409.4682617 0.23 410.1348877 0.44 411.1132202 0.13 412.2757568 0.25 419.3813477 0.14 423.4014282 0.25 426.0989990 0.32 427.4094849 0.29 429.2228394 9.98 430.2081299 2.32 431.2600098 0.16 446.0353394 0.15 450.2802124 0.86 451.2187500 0.14 456.7011108 1.88 457.4476318 0.93 459.1627808 0.06 461.7257690 0.84 462.3800049 0.65 463.0498657 0.73 464.6445312 0.12 468.2899780 2.13 469.3639526 0.58 470.0734863 0.05 470.9626465 0.87 472.8856201 0.18 475.4558105 0.11 478.7320557 0.55 480.0481567 0.40 481.6264648 0.31 482.6537476 1.04 483.4694824 0.47 486.2927856 2.86 487.1492310 0.14 488.2734985 0.19 492.8283081 0.28 493.6809692 0.73 497.2886353 2.03 498.2584229 0.60 499.4900513 0.28 502.5471802 0.10 506.2670288 2.37 507.0150757 3.25 507.8268433 0.44 509.1098022 0.09 511.2161255 0.22 520.2792969 0.62 521.3617554 0.76 530.2490845 0.69 531.2948608 0.21 532.3084106 0.13 532.9744263 0.28 533.8569336 0.72 535.5033569 0.18 537.5582886 0.16 539.2439575 1.97 540.0594482 0.66 542.0945435 4.05 542.8973389 1.49 544.5326538 0.26 546.8197021 0.90 548.9445190 3.33 549.8759155 1.04 554.3216553 0.16 556.0552368 22.45 557.2273560 27.70 558.1445923 33.25 559.4396362 1.26 560.2827759 0.44 560.9375610 0.28 562.3264771 1.35 566.6846313 0.15 567.4313354 0.16 568.7124634 0.85 569.4304199 0.38 573.2177734 1.54 574.3280640 1.01 577.2962036 4.56 578.0913086 3.70 579.2896118 0.30 580.4619751 0.18 582.6033325 9.32 583.5100708 2.49 585.2907104 3.48 586.3750000 1.00 591.5886841 100.00 592.5144653 13.37 593.4625854 0.67 594.8733521 0.74 595.9080200 0.85 597.6325684 1.35 598.3027954 0.50 603.9899902 0.51 607.3433838 0.20 608.3547363 0.65 611.4856567 0.39 612.8327637 0.65 614.0765991 0.46 614.9384766 0.28 618.1073608 1.85 618.8407593 1.02 625.1907959 2.10 626.8048706 10.12 627.5131836 7.91 628.3799438 1.87 629.4607544 0.73 631.2238159 0.59 634.1662598 20.72 635.4268188 1.57 636.8864746 0.22 655.1292114 0.98 664.6886597 0.42 667.6010132 0.07 668.5565186 0.50 678.5386353 0.17 680.3881226 0.07 682.4003296 0.46 690.1564331 0.18 696.3004761 6.64 697.3610840 2.77 698.3036499 0.16 708.3530884 0.13 709.5383911 0.18 710.5685425 0.30 711.5966797 0.51 714.3978882 7.71 715.3876343 1.65 716.5745239 0.34 719.2518311 0.81 722.7993774 0.10 724.1668701 0.33 725.3927612 1.72 726.3220825 1.78 728.3435059 31.56 729.3478394 13.65 730.4276733 1.81 731.2283325 0.41 736.4412842 0.14 737.5438232 0.08 738.5562134 0.22 739.4436035 0.16 741.3049927 0.14 743.4410400 0.20 745.8533936 0.43 753.4601440 0.13 754.5971069 0.46 755.5504761 1.85 756.4057007 0.74 757.5197754 0.43 758.3739014 0.23 767.4616089 0.39 773.3555908 0.22 774.1972046 0.13 775.3036499 0.07 777.3102417 0.79 778.4683228 0.51 779.5678711 0.17 795.3805542 3.46 796.5448608 2.12 797.6956787 1.03 799.0105591 0.49 807.5477905 0.06 811.6877441 0.27 812.4912720 0.20 813.6251831 0.25 814.5404053 0.86 815.7520752 0.11 824.5501099 0.03 825.5029297 1.44 826.4927979 1.01 833.6163940 0.15 835.8250732 0.06 837.2103271 0.84 838.6861572 0.05 843.1326294 0.72 843.8364868 0.67 844.5027466 0.74 845.3686523 0.26 846.6073608 0.17 850.3071899 0.23 854.7109375 0.69 855.9304199 0.88 856.5874023 8.67 857.5661621 6.63 858.5309448 0.73 864.2104492 0.11 865.5551147 0.57 866.8240356 1.57 867.5275879 1.08 868.9311523 0.24 882.5062866 0.27 884.4379883 25.99 885.4779663 14.02 886.5270996 2.71 904.4376831 0.31 906.7480469 0.19 907.4312134 0.19 912.4815063 0.14 922.7943726 0.11 923.5456543 0.37 924.1863403 0.53 925.0407715 0.87 926.1431274 0.18 929.6467285 0.14 935.5526733 0.21 940.5818481 1.41 941.6099243 0.96 942.4266968 0.39 943.6974487 0.07 950.3403320 0.12 951.6623535 0.18 953.6591187 0.51 954.4088745 0.09 955.3991699 0.23 956.5176392 0.07 959.1239624 0.09 966.4970093 0.17 967.3212280 0.16 968.3561401 0.24 969.7871094 0.42 975.4509277 0.16 977.6945801 0.13 983.5700684 0.12 984.5036621 0.11 985.4489746 7.51 986.6167603 4.50 987.5516968 0.81 993.6274414 0.97 994.7925415 1.13 995.5626831 2.40 996.3940430 0.70 997.7178345 0.28 1011.5155640 1.88 1013.4666140 86.60 1014.5095210 56.59 1015.5538940 17.26 1016.4924320 1.09 1019.5556030 0.18 1028.3278810 0.08 1034.4221190 0.33 1035.5440670 0.70 1037.3496090 0.16 1039.4549560 0.99 1040.5437010 0.62 1041.3937990 0.33 1052.5363770 0.12 1053.6643070 1.49 1054.5004880 1.36 1055.3149410 0.27 1056.9255370 0.09 1067.8259280 0.11 1083.3044430 0.55 1089.4606930 0.07 1096.3885500 0.34 1097.2312010 0.21 1098.2617190 0.47 1100.7629390 0.31 1110.2954100 0.22 1111.8105470 0.83 1114.5272220 9.04 1115.4478760 7.68 1116.5587160 1.42 1124.6284180 1.13 1125.5054930 0.17 1126.5792240 0.10 1135.6890870 0.13 1138.2558590 0.33 1139.7235110 0.38 1164.5947270 0.30 1169.6469730 0.08 1181.7313230 3.00 1182.6225590 2.81 1183.7200930 1.50 1187.2541500 0.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 683.2244 Annotation Citbismine C Peak:m/z Relative Intensity 221.0049591 0.06 339.0782471 0.13 341.1354980 100.00 342.9914551 0.09 606.8851929 0.05 638.6176147 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 575.1895 Annotation Unknow Peak:m/z Relative Intensity 163.0612946 1.02 164.1840668 0.08 164.8127441 0.04 172.9742432 0.02 173.8188934 0.07 175.0486450 0.06 179.1027985 0.20 183.2622681 0.06 188.1639404 0.17 193.0779419 0.21 194.3149719 0.03 197.1469269 0.02 201.1729431 0.02 209.2009888 0.03 213.2863159 0.05 214.4107056 0.10 220.9970093 0.13 224.2517395 0.04 226.1515198 0.22 229.8833618 0.09 232.1765137 0.08 233.0925293 0.37 234.0343018 0.76 237.7594299 0.11 241.1734314 0.14 242.3479156 0.17 243.1010437 0.21 244.2846985 0.12 247.3425293 0.13 248.2286224 0.16 249.2064819 0.11 251.0263977 37.82 254.0007019 0.20 261.0805664 0.23 262.2312622 0.03 266.2134399 0.43 268.3000793 0.08 269.4108276 0.05 270.1746826 0.10 272.0713196 0.19 273.2676392 0.03 274.0568542 0.03 284.1028442 1.63 290.9561768 0.05 293.1423645 0.30 294.3200684 0.04 306.8190613 0.08 308.1459351 0.04 310.1928101 0.04 313.5744629 0.14 314.5103760 0.25 315.6902161 0.23 320.8033447 0.14 324.1911011 0.03 325.2217407 0.04 327.3247681 0.08 328.0291748 0.04 329.4833984 0.52 332.3757935 0.61 335.0635986 0.05 340.1914062 0.15 341.1927490 0.03 343.3125000 0.14 348.1837769 0.17 351.1602783 0.12 354.2235718 0.04 356.2883911 0.13 359.2514038 1.56 361.1340332 0.07 362.7859497 0.05 366.1929321 0.12 367.3220215 0.10 372.2118530 0.43 373.2832031 0.25 374.2877197 0.06 377.2209473 1.78 378.4478760 0.07 381.3115845 0.17 382.3725586 0.03 384.3378906 0.17 385.2719727 0.56 386.2572632 0.44 387.2438354 0.21 389.1829834 0.11 390.1186523 0.03 395.1419678 9.17 396.0707397 0.87 398.4505615 0.03 399.2573853 0.15 400.3826904 0.05 402.8521729 0.16 403.7750854 0.10 406.5126343 0.02 409.2090454 0.04 410.1489258 0.15 411.0728760 0.10 413.0991211 100.00 414.2048340 0.81 420.3231812 0.34 424.9515381 0.09 426.0569458 0.66 427.2988892 0.44 428.3812256 0.10 429.1583252 0.26 430.2515869 0.09 433.2567139 0.02 434.3395386 0.33 439.9959717 0.11 441.8520508 0.29 442.6894531 0.25 443.3980713 0.71 444.3202515 0.50 445.5089111 0.28 446.1164551 0.02 448.2452393 0.06 450.4956665 0.25 453.2951660 0.47 455.2404175 0.44 456.3281860 0.25 458.4072266 0.13 461.2819214 0.09 462.6649780 0.37 463.9135132 0.26 464.5549927 0.03 467.2649536 0.19 468.8189087 0.23 471.1729126 7.10 472.3192139 2.21 474.8980103 0.12 476.0045166 0.11 477.2498169 0.10 477.9854126 1.00 481.5745239 0.97 482.6254272 0.13 483.2868042 0.03 483.9722900 0.13 485.5005493 0.70 486.4230347 0.71 487.9668579 0.04 491.0894165 0.21 495.3063354 0.16 497.5763550 0.38 499.5582886 0.52 500.1741943 0.03 502.6950073 0.23 503.4381714 0.11 506.9835815 0.07 510.2158813 0.08 512.8052979 0.18 514.2785034 0.04 515.3712769 0.16 516.3800659 0.27 518.6961060 0.38 520.0912476 0.27 521.1339722 1.24 522.6295776 0.42 523.3345947 0.17 524.1146240 0.07 524.8131714 0.22 526.8911133 0.78 527.5112915 0.02 529.0884399 0.61 530.0326538 0.18 531.1094360 0.30 531.8715210 0.39 535.4357300 0.79 536.2689819 0.07 536.8959351 0.18 537.7994385 0.09 538.9338989 0.84 539.6275024 0.41 540.7092285 0.14 542.2656860 0.64 543.1253052 1.16 544.9920654 0.61 548.6587524 0.02 552.0434570 1.27 553.0794067 0.22 554.1964111 0.10 556.1394653 0.86 557.1870117 7.65 558.3894653 0.23 559.7683105 0.29 561.1011353 0.20 561.8086548 0.06 564.7611084 0.81 565.4913940 0.33 566.3745728 1.33 567.3648071 0.03 586.4867554 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 351.1294 Annotation 2,3-Dimethyl-3-hydroxyglutaric acid Peak:m/z Relative Intensity 101.0249176 4.31 103.0655670 0.32 111.0770874 0.36 112.9298248 8.70 115.0093842 0.07 127.0088959 0.05 128.9938202 0.33 130.2411499 0.04 138.9696655 0.17 140.9223022 0.04 143.0558777 0.11 156.9561768 1.05 161.1502991 0.20 171.0406647 0.13 173.0255127 0.08 174.9618683 2.77 187.1225433 0.05 189.0083771 0.17 190.9213409 0.03 193.0222168 0.68 204.2218933 0.07 205.1175385 0.50 213.1589355 0.04 231.1309814 12.21 249.0696716 100.00 267.1703491 3.00 275.0310669 0.16 283.3304443 0.10 287.2769775 0.05 291.1972351 2.02 305.0943909 3.38 307.4544373 0.12 315.0937195 0.70 323.4310303 0.12 333.2052917 19.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 751.1931 Annotation Unknow Peak:m/z Relative Intensity 211.4372559 0.07 235.1039124 0.13 252.9078979 1.25 264.4173584 0.16 271.0826721 0.96 281.4349365 0.37 289.3644714 0.35 293.4171143 0.10 299.5921021 0.16 306.5315857 0.38 311.3627930 0.11 312.5671082 0.16 313.1688843 0.62 323.3811340 0.15 331.1177979 100.00 372.3168945 0.07 373.1066284 1.11 374.4953003 1.54 375.1898193 1.78 383.3647461 0.11 426.3699341 0.13 437.2552490 0.18 437.9710693 0.13 451.4099731 0.24 454.8328857 0.28 463.3276367 0.07 525.4334106 0.10 539.2420654 0.11 545.3046265 1.28 546.3023682 2.17 547.3475952 0.31 549.6013184 0.11 552.5311890 0.08 559.4982910 0.07 561.7205811 0.16 570.2199097 0.17 582.6483765 0.13 584.2781982 0.31 586.4087524 0.11 587.5509644 2.95 588.3073120 3.88 589.4497681 0.79 602.2075195 0.48 603.5222168 0.25 614.4233398 0.13 618.1190186 0.49 619.7470093 0.36 621.5101929 0.59 630.1333008 0.18 631.0484009 0.14 632.3019409 0.95 633.7163086 0.25 644.3455811 1.08 645.4823608 0.25 646.3590088 0.11 647.5170288 0.09 650.5862427 0.20 662.3029175 0.07 664.9608765 0.46 674.1937866 0.41 675.9819336 0.84 677.0557251 0.50 685.5263062 0.46 688.1115112 0.69 689.7839966 0.24 691.3244629 0.35 701.3431396 0.10 702.5816650 0.39 704.2141113 0.05 705.7075806 0.85 706.4408569 3.38 707.2963257 0.98 708.3965454 0.33 709.4040527 0.06 711.8912964 0.14 714.2703247 0.13 715.5669556 0.11 718.5271606 0.85 719.4408569 0.27 720.3389893 0.49 721.5234985 0.40 728.9441528 1.06 732.5208130 3.71 733.4128418 1.69 734.6173706 0.06 741.0991821 0.61 741.7446289 0.37 758.4146118 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 772.4227 Annotation Unknow Peak:m/z Relative Intensity 222.9912109 0.09 227.3036041 0.04 231.2967834 0.02 241.9267731 0.02 243.2120514 0.02 284.1210632 0.44 300.2877197 0.10 308.4657898 0.15 313.2499390 0.03 314.4866333 0.10 315.1931763 0.02 324.0515747 0.05 326.3079224 0.16 327.2874146 0.03 328.6741943 0.01 377.0509644 0.19 413.4126587 0.18 414.5468750 0.01 430.4875488 0.19 431.4231567 0.27 432.7376099 0.04 439.0740967 0.06 455.1334839 0.03 458.0903931 0.04 460.6360474 0.03 461.6455078 0.04 473.9155273 0.08 475.5598145 0.05 495.4086304 0.03 500.5669556 0.06 509.3957520 0.02 517.4443970 0.11 522.7777100 0.02 529.5282593 0.06 541.6694946 0.05 544.4111328 0.59 545.5325928 0.07 558.7742310 0.12 567.5244751 1.28 568.3201294 0.24 575.3468628 0.19 579.4708862 0.07 588.3038940 0.30 589.4265137 0.06 593.3550415 0.12 597.4216309 2.87 598.4769287 0.71 611.5459595 0.08 623.3403931 0.07 624.6739502 0.03 641.7757568 0.06 642.7335815 0.02 652.3328857 0.03 653.6080933 0.06 685.4243774 0.22 686.4980469 0.07 698.4926147 6.55 699.5741577 2.95 710.5105591 2.16 711.4743042 0.61 724.5316162 0.03 725.4556274 0.03 728.4657593 100.00 729.5587769 45.96 736.1967163 0.03 737.7619019 0.04 742.3685913 5.85 743.5487671 2.94 754.4668579 1.72 755.4343262 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1129.5426 Annotation Unknow Peak:m/z Relative Intensity 323.2286377 0.55 324.3227844 0.04 347.6341248 0.08 365.1717224 0.30 395.1333618 0.38 406.3853760 0.04 407.5316467 0.10 416.6734619 0.09 425.2559814 0.10 431.2258606 0.06 443.3544922 0.13 467.2317505 2.29 468.3368225 0.18 485.2404785 0.10 497.4713745 0.15 576.6820068 0.18 593.2929688 0.04 601.5056152 5.56 602.4433594 0.60 619.5344238 9.10 620.6248169 1.16 661.4412231 100.00 662.4291992 12.61 663.0949097 0.04 703.3758545 0.71 704.4921265 0.03 706.3497314 0.04 733.3065186 0.18 743.5773926 0.08 745.4827271 0.11 805.8104248 0.16 817.6448975 0.07 842.1834717 0.16 865.3654785 0.13 907.2010498 0.02 925.1967773 0.12 943.2994385 0.06 985.3392334 9.38 986.2581787 1.28 1027.2407230 0.80 1028.2862550 0.17 1029.1894530 0.07 1067.0899660 0.36 1067.8171390 0.15 1069.2441410 0.39 1087.0667720 0.05 1088.9111330 0.06 1111.3701170 0.04 1112.1251220 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5964 Annotation Unknow Peak:m/z Relative Intensity 371.0087585 0.03 407.1459351 0.01 423.1130981 0.02 425.5217285 0.02 443.6872559 0.03 467.2889709 0.63 468.2023926 0.02 609.6974487 0.02 631.4538574 0.04 647.8244629 0.02 649.5795898 1.12 650.7050781 0.08 663.7847900 0.01 691.7480469 0.01 745.2391968 0.02 757.5538330 0.02 758.8272705 0.02 793.6056519 0.75 794.5946045 0.12 809.7562256 0.01 811.4948730 100.00 812.5175781 7.72 825.5944824 0.03 853.4020996 1.27 854.4714355 0.15 866.7984619 0.01 893.5405273 0.27 894.1458740 0.01 894.7551270 0.03 895.4742432 0.01 937.4799805 0.01 955.4692383 0.02 956.7237549 0.05 973.5639648 0.05 974.5036621 0.02 997.5203857 0.01 1015.4764400 0.01 1117.3695070 0.03 1118.4670410 0.01 1135.7918700 0.06 1164.4379880 0.01 1169.6455080 0.04 1177.2379150 0.01 1217.2181400 0.04 1218.8046880 0.04 1248.8154300 0.01 1261.3638920 0.02 1262.6339110 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 506.1837 Annotation Unknow Peak:m/z Relative Intensity 142.8803101 0.12 145.0307922 0.09 152.7724915 0.05 159.0163269 0.02 161.0103760 18.95 161.8712463 0.05 163.2566376 0.25 165.0023804 0.04 167.1592102 2.22 168.1990509 0.08 171.0424805 0.11 172.0572815 0.46 173.0429535 0.10 174.9652710 0.08 177.0449829 0.08 181.2871857 0.39 182.0154266 0.13 187.3603516 0.08 190.0368042 0.33 190.8031616 0.31 192.9942932 67.22 198.0371246 0.18 199.1217499 0.34 200.0294800 0.36 201.1213074 0.27 202.0732117 0.04 205.0436707 23.90 206.1489868 1.25 207.0914001 0.68 208.3153839 0.14 209.1727905 0.14 213.0400848 0.09 215.9987183 0.55 217.1589508 0.31 217.8449097 0.06 220.0414886 3.69 220.9896851 0.46 222.2225037 0.10 222.9734039 0.16 227.2140198 0.06 229.0515442 0.07 231.0780182 62.15 231.7329102 0.42 233.0845642 0.36 234.4376678 0.16 237.2066040 0.59 239.0680389 0.15 240.3871765 0.08 242.2732697 0.07 243.9442749 0.20 246.0800018 0.42 250.0255127 0.11 253.1908875 0.16 257.3392334 0.35 258.2473450 0.09 262.0694580 0.10 263.2473145 1.55 265.0756531 4.35 265.6782837 0.04 267.0928040 0.04 270.9626160 0.34 274.2031250 0.04 275.2235718 0.06 279.5314026 0.32 283.3473206 0.13 283.9888000 0.22 285.9913635 0.18 287.9889832 1.91 291.1055298 0.22 292.2951965 0.08 295.3119812 0.13 299.0250244 0.06 300.1292114 0.18 305.4694214 0.04 306.2868652 0.20 309.8750000 0.24 312.3615112 0.46 313.9829712 12.94 316.2628784 0.05 321.1486816 0.16 323.1966858 0.09 325.2072144 0.27 326.1069031 1.59 334.1868896 0.40 337.3243408 0.19 339.4537964 0.20 343.1665649 0.09 344.0114136 0.19 352.0931702 11.92 353.3337708 3.52 354.3889771 0.33 356.9940186 0.37 360.0932007 0.29 360.6965332 0.07 362.0412598 0.37 369.1607056 1.58 370.1824341 0.14 372.2172241 0.18 374.9580688 0.50 377.3034668 0.26 383.3583069 0.60 385.1254272 50.94 385.8347473 0.09 386.9780884 0.92 388.7468872 0.41 389.4256897 0.19 393.2323608 0.13 397.9252014 0.11 399.4200439 0.25 401.1764221 1.43 402.3460999 8.80 403.3386536 1.32 403.9429321 0.04 406.3047485 0.61 408.9824219 0.37 413.2172546 0.08 414.5326233 0.29 417.1147156 100.00 418.1689453 0.12 419.2734375 0.14 420.9389954 0.22 423.3703918 0.25 424.7303772 0.33 425.3789368 0.19 426.3317871 0.19 427.1741028 0.07 428.0570374 0.24 428.6863098 0.19 429.4462280 0.11 435.2385864 0.14 440.3863831 0.26 441.2102356 0.39 443.2675476 2.12 444.4039307 0.20 445.1393738 0.07 446.7256775 0.13 448.5425110 0.11 454.4360046 0.67 455.0597229 0.34 458.2637024 1.43 460.1983643 4.77 461.4783020 0.18 462.3231812 0.36 463.4466858 0.47 470.2939148 0.05 471.2094421 0.11 472.4013367 0.27 474.2201233 2.50 475.1522827 0.22 476.5237427 0.54 477.5599670 0.08 478.6864319 0.59 479.6477356 0.11 484.3367310 0.09 488.3020325 4.02 489.4432983 0.72 492.1609497 0.31 494.6148376 0.48 495.9617615 0.52 497.4640808 1.61 498.5132141 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 890.4604 Annotation Unknow Peak:m/z Relative Intensity 249.3857574 0.15 262.2546082 0.21 263.2204590 0.29 270.1132812 0.56 282.0859680 0.19 284.2364807 0.13 285.3869629 0.21 288.2254333 4.86 297.2251587 0.30 300.3746948 0.15 307.8308411 0.23 312.1736755 0.23 313.2183838 0.24 314.4027710 0.18 317.3892517 0.26 318.3651428 0.09 322.3612976 0.08 324.1468506 0.17 328.2450562 3.67 330.4830017 0.21 331.1977539 0.08 336.9454651 0.15 341.3021240 0.67 345.2565918 0.06 346.2594299 2.61 352.0790100 0.22 353.3310547 0.08 355.1366577 0.34 364.2879028 0.15 371.2203979 1.65 373.2540894 0.12 384.1981812 0.26 389.1611328 3.53 389.8416443 0.48 397.2169189 0.46 399.3322144 0.76 403.6595459 0.08 415.4042358 0.38 416.5123291 0.17 420.6779175 0.38 425.2218628 0.44 426.4737549 0.22 427.2976685 0.41 429.4378052 0.04 433.1999512 1.36 438.3267212 0.17 442.4844971 1.36 454.0812988 1.69 454.7344971 0.34 456.2841797 0.11 459.2811279 0.42 460.6987915 0.66 461.3865356 0.88 462.1566772 0.16 463.6877441 0.32 466.1644287 0.45 472.2784424 4.41 472.9633179 0.09 474.3987427 0.37 481.2063599 0.13 484.3349609 0.57 488.2849121 0.22 490.3120728 3.46 495.4625244 0.06 498.5902100 0.46 500.5232544 0.09 501.3528442 0.15 502.1428833 1.00 509.1286011 0.69 510.4675293 0.55 513.6664429 0.33 516.3095703 0.22 519.6375122 0.07 525.2919312 0.19 526.2122192 0.42 534.4553833 0.29 536.4035034 0.13 539.5455933 0.28 540.4276733 0.31 541.2514038 0.37 544.4708862 1.29 546.5501709 0.19 549.5434570 0.16 553.4931641 0.12 557.4019165 2.06 558.5297852 0.15 559.5589600 0.20 565.6249390 0.21 566.6211548 0.36 567.3474731 7.44 568.3240356 0.33 573.1003418 0.15 575.4078369 13.35 585.4077148 26.24 589.4255981 0.80 590.1015015 0.26 591.5199585 0.30 597.4436646 0.13 603.3837891 100.00 605.6660767 0.09 612.4773560 0.27 615.4411621 13.20 633.4182739 89.91 640.4739380 0.19 643.3842163 0.11 644.3978271 0.18 654.6260986 0.12 656.0252686 0.06 656.6575317 0.19 658.6375732 0.13 662.4044800 0.25 682.4912720 1.32 688.4551392 0.30 689.5895386 0.21 692.4601440 0.16 694.4413452 0.05 700.4864502 1.82 710.3874512 0.17 714.1454468 0.33 716.6628418 0.10 727.3121948 0.93 728.4683228 0.26 746.5597534 3.46 748.2408447 0.29 757.3086548 0.12 758.5256348 0.40 759.5302124 0.11 773.3503418 0.43 777.2808228 0.43 781.2121582 0.47 783.4844360 2.52 785.2374268 0.29 789.9782104 0.54 801.4297485 4.94 805.4358521 0.12 806.3334961 1.04 807.0375366 0.63 808.7548218 0.51 811.2362671 0.39 812.2786255 0.14 813.0508423 0.41 814.2634888 0.23 816.2089844 0.09 817.3240967 0.38 818.1004028 0.75 820.1977539 0.41 820.8843384 0.37 821.5413208 0.16 823.2866211 1.08 823.9683228 0.74 826.3356323 1.50 829.5615845 0.19 831.4260864 0.10 835.7097778 0.10 840.7066650 0.41 842.0805664 0.47 842.7822876 0.15 844.5402832 0.09 846.5264282 0.57 848.7487183 1.77 850.7055054 1.39 851.4297485 0.12 852.5509644 0.37 853.6253052 0.09 854.6478882 0.29 855.5938110 0.32 857.5227051 0.08 858.5286255 0.31 862.6994019 0.13 866.5033569 0.19 869.9017944 0.46 872.4650879 14.88 875.1091919 0.10 877.4736938 0.33 880.9176636 0.94 881.8338013 0.34 883.3453979 0.35 891.6832275 0.18 902.5101929 0.20 903.6779785 0.15 904.3823242 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 426.29 Annotation Prostaglandin E2 serinol amide Peak:m/z Relative Intensity 123.1562347 4.93 124.9472809 2.95 135.9125519 9.36 140.9476624 3.04 151.2015076 6.92 156.9513855 4.40 160.9581299 5.03 167.2704926 7.83 168.1981506 4.62 171.600708 15.48 172.2575684 11.10 175.1446228 11.19 177.0476379 2.61 182.0701294 2.78 182.9755249 3.04 218.708786 6.27 221.3538208 10.68 224.1576233 3.47 227.9840088 7.32 239.3408813 6.80 245.1192322 19.59 246.7670288 3.25 258.451355 2.21 262.5469055 3.36 281.2518005 24.41 285.3034668 3.25 292.4625854 6.89 300.459198 4.40 309.3530884 15.22 315.3096313 8.19 325.2423096 3.45 331.9838867 4.92 348.725769 9.51 349.3701172 9.60 363.5594788 6.27 366.6097107 9.44 367.653595 5.12 371.059021 2.54 380.2086487 3.66 382.1948547 1.79 390.6419983 21.03 394.2209778 6.52 395.188324 17.53 396.0870056 4.65 399.2911377 3.66 407.6414185 47.00 408.2870789 100.00 409.0048828 5.95 412.3139343 2.63 427.4468994 4.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 480.31 Annotation PE(18:1(9Z)/0:0) Peak:m/z Relative Intensity 153.0619049 0.22 169.1279297 0.19 182.9189148 0.21 197.9388733 0.17 214.4403076 0.08 216.2882385 0.07 308.230835 0.85 311.2395935 0.25 325.2199097 0.09 327.4517822 0.39 339.2823486 100.00 339.9286499 0.45 341.432251 0.31 344.3392334 0.38 345.5495605 0.32 354.0928955 0.23 373.6985779 0.47 381.8893127 0.22 384.3552551 0.24 388.577179 0.18 390.3567505 0.82 404.1362915 0.12 407.5926208 0.45 413.879364 0.57 416.0814514 0.56 419.440155 0.10 435.3096008 0.49 438.0498352 0.50 444.3608093 0.15 446.2583618 0.33 448.0697327 0.10 452.1822815 0.10 462.2035522 4.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1141 Annotation Lactulose Peak:m/z Relative Intensity 221.1404724 0.03 341.1473999 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1008.4988 Annotation Unknow Peak:m/z Relative Intensity 284.1383667 0.34 298.3214111 0.41 319.4608765 0.08 323.2498169 0.07 326.3161621 0.12 350.5156250 0.48 352.3329468 0.59 367.2376404 1.03 376.2953491 0.17 378.8137512 0.28 380.3796997 2.36 381.4777832 0.34 395.1840515 1.96 397.3108521 4.70 398.3054810 5.06 409.4195251 9.72 419.5358887 0.17 424.5893555 0.40 427.4043884 1.37 437.3757019 0.11 451.2784424 0.22 462.9400635 0.25 464.2009277 0.18 466.7089844 0.09 478.3753052 0.14 481.4939270 0.11 483.3961792 0.12 492.5101318 1.29 498.4243164 1.02 504.4884644 0.10 505.3634033 0.12 506.3127747 1.25 507.1619568 0.09 509.3038330 0.98 518.4414062 0.67 524.3609619 0.07 528.1020508 0.08 533.0922852 0.13 536.3955078 6.64 537.7601318 0.59 538.3918457 4.61 562.4107666 1.13 569.3438721 0.19 577.4533691 1.22 580.3677979 12.63 595.3901978 2.58 598.4843750 0.10 607.5066528 0.11 609.4786377 100.00 619.4786377 0.64 627.2969971 2.26 634.2581177 0.53 647.2683105 0.15 663.2312622 0.07 663.8840942 0.15 676.5859985 0.21 678.5295410 0.33 680.4973145 3.40 698.5645752 2.41 706.6060791 0.67 709.5582275 0.52 711.6075439 0.24 716.4714355 0.84 733.6707764 0.25 737.4652100 0.31 743.5610962 0.16 746.4577637 0.10 762.5159912 0.22 777.4974365 4.35 789.7094727 0.28 795.4584961 46.73 796.1002197 0.45 804.4678955 0.23 808.6271973 5.63 820.6265869 0.30 822.5369873 0.21 823.5753174 0.11 841.1237793 0.19 843.3165283 0.36 848.4809570 1.05 851.2767334 0.12 861.4943848 0.42 863.7401123 0.17 866.5244141 3.48 875.5708008 0.53 879.6231689 0.93 887.7230225 0.27 890.7386475 0.18 905.6257324 0.13 910.7259521 0.19 911.7420654 0.12 919.6895752 0.44 932.6596680 0.92 936.1247559 0.39 936.7744141 0.92 937.5841064 0.10 946.4846191 2.25 957.4954834 0.17 962.1361084 0.29 964.3376465 0.82 971.6209717 0.10 972.6791992 1.48 976.4743652 2.07 978.7205811 0.21 986.2137451 0.70 989.3409424 0.46 990.4309082 57.59 991.1972656 0.72 991.9996338 0.17 992.9785156 0.10 994.0874023 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 483.1717 Annotation Unknow Peak:m/z Relative Intensity 173.0676270 0.25 247.0621185 0.08 273.0903625 0.10 274.1474915 0.07 275.2368469 0.67 320.0826721 0.33 321.2969666 0.42 323.3981628 0.23 341.2275085 2.85 349.2302246 0.06 350.2713623 0.17 384.9396362 0.08 393.0124207 0.37 402.8661194 0.21 407.1171570 0.16 421.2858582 0.25 434.4034119 0.13 437.1982727 100.00 438.2849426 0.10 439.3066711 0.42 464.5608215 0.12 465.3790588 0.18 468.4653625 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 885.4203 Annotation Unknow Peak:m/z Relative Intensity 278.6697693 0.24 282.1031494 0.05 285.0848694 0.04 290.3467407 0.31 298.3255920 0.61 305.5211487 0.10 306.3541870 0.11 315.1760254 0.10 341.3016052 0.13 353.5031128 0.07 367.2183228 0.18 371.3795776 0.07 374.3801880 0.12 381.3070068 0.04 387.2414246 0.23 404.4066772 0.04 410.1755981 0.20 413.2951050 1.91 418.5697632 0.07 419.2818604 0.07 420.5053711 0.07 424.7897949 0.10 425.6365967 0.09 426.2413330 0.06 427.3535767 0.28 428.3746338 0.11 435.2565918 0.29 436.3093262 0.07 439.5637207 0.02 443.9613037 0.26 445.1113892 0.39 446.3640137 0.15 452.4037476 0.08 453.2248535 0.07 457.3485718 2.26 463.1879272 0.77 468.3768311 0.03 470.3468628 0.07 480.3684692 0.22 487.0778198 0.03 489.0682373 0.35 489.7745972 0.03 506.3511963 0.19 507.1885986 0.07 508.2114258 0.07 517.1309204 0.23 524.3369141 1.44 528.5913696 0.24 532.2307739 0.06 534.3504028 0.05 536.5169678 0.04 541.4617920 0.06 542.3275757 0.28 544.3889771 0.11 546.3690796 0.22 553.1475830 0.03 565.3721313 0.05 568.3433228 1.94 571.4149170 0.32 572.4015503 0.87 580.4921265 0.05 581.2188110 0.16 585.3197632 0.07 586.1393433 0.91 586.7845459 0.03 589.3356323 2.29 594.3030396 0.18 597.4345703 0.06 598.3148804 0.08 599.3157959 0.06 602.4572754 0.14 603.4577637 0.17 613.5048218 0.05 617.4625854 0.98 618.5665894 0.26 621.6824951 0.05 623.9421997 0.09 633.3606567 0.08 636.5942383 0.47 637.2725220 0.28 638.5015259 0.05 642.1907349 0.13 660.2070923 0.78 661.2115479 0.07 662.4277954 0.85 679.2762451 5.68 680.6228638 1.41 681.6372070 0.05 685.1403198 0.09 686.1599731 0.35 694.5438232 0.11 704.4568481 3.11 705.3407593 1.01 706.3567505 0.54 708.5888672 0.09 711.3085327 0.05 712.4407349 0.82 713.1371460 0.11 714.4286499 0.29 718.2947388 0.06 719.5109253 0.11 721.5497437 0.05 723.1836548 0.43 724.5321045 1.26 729.1458130 0.10 736.5648804 0.33 737.2700806 0.05 738.4168091 0.16 739.5020752 0.03 751.3516235 0.11 753.0461426 0.03 756.0138550 0.64 756.6312256 1.20 760.2817383 0.20 767.3218384 0.11 770.2730103 2.06 780.2136230 0.05 787.7319336 0.13 791.2623901 0.41 795.4856567 0.03 797.0654297 0.06 802.2116089 0.56 805.0239868 0.17 809.4096680 0.16 811.6095581 0.08 813.0737915 0.04 821.2936401 0.05 823.5030518 19.44 824.8921509 0.02 835.4522705 0.08 841.4957275 13.35 846.5032349 0.12 849.4626465 2.05 852.5422974 0.05 853.9431763 0.25 855.4284058 0.56 866.3889160 1.10 867.4595337 100.00 868.4760132 0.11 869.4628296 0.12 870.7133179 0.22 875.7018433 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 684.3204 Annotation Viomycin Peak:m/z Relative Intensity 199.0577087 0.13 205.2359009 0.02 209.3239136 0.13 213.1902161 0.04 221.2277679 0.04 224.0545349 0.06 225.2016449 0.04 236.2977295 0.09 241.3229675 0.06 252.2502136 0.03 262.3157959 0.05 264.1849670 0.02 265.3784180 0.19 279.5373230 0.06 285.2341309 0.06 293.1627197 0.07 297.2689819 0.35 299.2242432 0.09 305.1986084 0.47 306.1717224 0.33 308.2205811 0.16 309.2279053 0.94 310.3809814 0.04 312.3396606 0.03 313.5178223 0.19 323.2718506 1.12 326.4307861 0.79 327.2990112 4.38 333.4788208 0.03 341.1257019 0.10 342.4890137 0.39 344.3108826 0.20 347.1886597 0.05 350.4700317 0.09 356.2830200 7.55 362.0234375 0.09 363.2272339 0.06 369.5044556 0.04 371.2536621 0.04 372.3112183 0.02 377.3126221 0.03 389.8666382 0.21 391.0219727 0.05 394.4894409 0.06 406.1304932 0.03 410.3795776 0.17 412.6433105 0.04 418.5536499 0.02 424.4331055 0.05 434.4335938 0.13 437.3810425 0.03 439.1775513 0.02 441.4354248 0.02 442.2680664 0.68 442.9000244 0.03 443.5269165 0.36 453.3533936 0.07 456.1843872 0.02 461.4380493 3.20 462.3738403 0.14 465.1627808 0.08 466.7416992 0.16 467.4114990 3.47 479.3547363 2.01 483.3795776 0.04 484.3995361 1.15 487.4943237 0.06 488.5427246 0.08 489.5733032 0.06 495.4533691 0.15 505.3945923 6.02 523.3519897 24.64 524.2008667 0.14 533.2604370 0.04 534.5252686 0.10 536.4160156 0.05 537.2897949 0.27 538.1419067 0.04 545.2951050 0.06 550.1240845 0.05 555.3345947 14.64 556.5480957 0.23 559.5019531 0.06 564.4714355 0.11 566.0778198 0.13 578.3880005 0.05 583.7419434 0.04 585.4335938 0.04 586.7418823 0.22 590.6314087 0.29 591.3724976 0.06 594.0958252 0.08 595.4199829 0.06 599.8652954 0.03 603.4912720 0.02 608.6609497 0.29 612.3357544 0.14 613.6692505 0.07 614.5730591 0.03 616.1124878 0.03 618.3934326 0.05 622.3432007 0.29 624.2092896 0.23 634.3390503 0.09 635.3970947 0.06 637.1269531 0.23 638.2673340 0.29 639.5667725 0.23 640.6531372 0.45 641.6143188 0.02 646.6131592 0.07 648.4225464 0.14 649.4882202 0.03 652.4900513 3.21 653.4044800 0.15 654.0436401 0.06 655.9124146 0.04 666.4176636 100.00 667.2153931 0.47 668.5668335 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 674.2959 Annotation Unknow Peak:m/z Relative Intensity 247.2581482 0.07 262.9470825 0.11 359.0223999 0.03 395.2087402 0.11 425.6784668 0.34 427.7737427 0.08 448.8421021 0.06 453.4616089 0.25 457.6221924 0.05 467.2687988 3.58 470.6575928 0.03 471.5746460 0.41 477.6548462 0.04 485.5034790 0.05 492.4262085 0.06 494.2164307 0.06 498.3273926 0.08 502.2583008 0.09 508.2564087 0.07 512.0537720 0.05 513.5022583 1.08 521.0534058 0.06 537.0932007 0.06 546.3728638 0.17 580.3200684 0.19 587.6225586 0.02 589.0954590 0.35 612.4429321 0.10 615.5767212 0.61 622.2940063 0.06 628.9129028 0.52 633.5731812 3.35 636.5671997 0.08 638.3936768 0.27 644.4144897 0.09 652.3891602 100.00 654.3453979 1.38 655.4810181 0.25 656.4471436 0.48 657.1377563 0.06 657.9168701 0.36 658.5681763 0.31 659.8919067 0.04 661.1049194 0.17 662.1887817 0.15 673.1765747 0.04 674.8085327 0.26 675.4830933 0.25 771.6946411 0.04 819.4314575 0.55 837.4572144 13.43 838.4492188 0.37 851.3600464 0.03 1143.5811770 0.56 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 458.2251 Annotation Unknow Peak:m/z Relative Intensity 140.0478363 0.28 141.9669342 0.09 143.2148895 0.08 158.0700073 0.33 159.0608368 0.11 169.1271973 0.06 173.3237762 0.05 182.0930176 1.74 184.2268066 0.06 187.3237457 0.09 197.8445435 0.14 200.1655579 5.17 202.0978699 0.18 203.1835785 0.12 209.2718201 0.04 212.2138214 0.34 213.1844788 0.11 218.1163025 0.11 226.1580048 0.09 228.1509705 0.02 229.3394623 0.11 231.1496582 0.02 238.1062622 0.06 244.2946777 0.04 250.1707153 0.10 252.1101685 0.14 254.2420959 0.11 255.0871887 0.06 260.0477905 0.06 271.3026428 0.32 272.2823486 0.86 274.0008240 0.23 283.1503906 0.47 294.1994019 0.06 295.7336731 0.04 300.0913086 0.04 301.1656494 0.14 306.2117920 0.06 309.5031433 0.05 311.1107178 0.10 312.2686157 0.07 315.2864380 0.22 320.1514282 0.16 326.5204468 0.21 330.3837280 0.05 342.7808838 0.07 344.4060364 0.14 345.2566223 0.33 345.8675842 0.05 351.2247314 0.12 352.1844482 0.19 353.2633057 0.51 354.3110352 0.80 358.1752014 0.28 368.1920776 0.63 369.8741455 0.04 371.3313293 17.17 372.2920227 0.42 380.5650635 0.03 384.1877747 0.51 386.1106873 0.13 396.4076233 6.73 410.3040161 0.27 411.6371765 0.14 413.8443298 0.30 414.4463806 3.10 415.0941467 0.08 416.2379761 1.26 422.2853394 0.04 426.2002869 0.05 428.3040466 100.00 428.9971008 0.28 431.2114563 0.08 440.2604675 8.05 441.2131958 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 301.0554 Annotation Fludiazepam Peak:m/z Relative Intensity 94.9294586 1.96 96.8820572 0.06 112.9340668 13.97 114.0050507 3.30 130.9120331 100.00 131.8111267 0.57 133.0943756 0.05 185.8389587 0.10 198.8535461 0.14 214.3974304 0.32 217.1354370 0.11 226.2728882 0.18 257.1371155 0.51 258.0638733 0.10 271.1429138 0.11 272.1161194 0.06 283.1457520 2.44 284.2366638 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 474.1433 Annotation Unknow Peak:m/z Relative Intensity 137.9588470 0.17 139.0476990 0.46 153.0183105 4.48 154.1351776 0.75 156.0827026 0.05 161.0072937 0.46 162.0275726 0.32 171.1393890 0.21 173.0115509 0.81 176.1174316 0.25 177.0129700 0.80 178.1551819 0.13 179.0688934 0.11 195.1705170 0.28 196.1630554 0.78 197.1839905 0.38 210.0043945 2.25 210.9968872 0.32 215.2043152 0.25 222.9704285 0.21 225.0946655 100.00 226.0666046 26.09 226.6675415 0.05 233.1511230 0.16 234.2019348 2.65 235.1564026 0.32 241.0742340 1.11 251.1784363 0.64 255.4636230 0.15 258.9613953 0.61 267.0348816 2.86 268.2602234 0.65 276.2190247 0.29 277.0289917 0.31 294.0910950 0.38 294.9387207 0.23 297.0760193 0.16 299.1257935 0.25 302.4097290 0.06 306.2603455 0.23 308.8841248 0.10 310.2581482 0.23 312.0729065 90.13 313.0835876 22.59 320.4346924 0.15 326.3092346 0.31 328.0717773 0.36 332.1697693 0.10 335.0008545 0.10 339.2618408 0.10 343.8649902 0.23 346.0621338 6.23 348.1949768 0.20 354.0714111 3.10 354.7241821 0.19 356.3993225 0.24 360.1638489 0.42 364.5263062 0.58 365.4850769 1.00 367.3554688 0.38 370.5032349 0.37 373.2331543 0.61 384.3625488 0.26 387.1379700 60.38 388.1128540 25.76 403.2262878 0.09 405.3824158 0.15 408.6483459 0.11 411.3120117 0.07 413.0132141 0.27 414.6312866 0.25 428.2417908 0.27 429.1840210 0.51 430.0326843 0.39 431.1687317 1.86 431.9267578 0.03 433.3306885 0.12 437.9604797 0.26 439.3394775 0.26 440.3797913 0.20 443.4148254 0.48 444.2300110 0.61 445.4706726 0.62 456.3458557 1.92 457.1043396 2.32 466.0436096 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 440.1018 Annotation Unknow Peak:m/z Relative Intensity 124.1822586 0.16 126.1180878 0.06 141.9592133 0.05 151.9454498 1.39 168.0294037 4.50 169.9998169 0.27 196.0870361 39.96 202.0275421 3.35 204.2024231 0.10 214.1442261 1.08 225.1232758 0.37 230.0965271 3.23 248.0899658 3.08 273.8890381 0.10 300.1118774 0.49 308.4730530 0.07 317.3717041 0.15 319.5111694 0.07 324.4022827 0.19 327.8148499 0.10 329.3222656 0.16 330.5427551 0.13 334.2363281 0.42 337.3504944 0.18 343.7554321 0.06 347.2946777 0.60 348.4168396 0.41 378.2101135 2.80 393.7795715 0.67 394.3952332 0.15 395.9318848 0.60 396.7116089 0.14 403.9346313 0.09 408.2135315 0.07 411.8019104 0.19 422.2139587 100.00 423.3290100 0.12 425.2410583 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 650.2134 Annotation Unknow Peak:m/z Relative Intensity 218.2054901 0.03 221.2083740 0.08 248.6098633 0.12 307.1417236 0.06 311.2614136 0.05 322.5955811 0.05 323.3275757 0.22 324.3468018 0.06 340.9649048 0.72 342.0413208 0.10 383.2892456 0.10 413.3640137 0.06 443.1964722 0.37 503.2793579 100.00 504.3318481 14.38 511.1539307 0.10 591.2211304 0.14 631.5594482 0.10 632.3555908 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 329.0876 Annotation Phaseoloidin Peak:m/z Relative Intensity 94.9104004 0.06 100.7142258 0.07 107.9072113 0.71 109.0734863 0.08 112.3837585 0.07 113.0592422 1.24 118.9958649 0.03 120.9042053 0.29 121.9435043 0.18 123.0817261 3.36 124.8481293 0.05 139.0613403 0.15 143.0609589 0.24 148.8864136 0.15 150.7476807 0.42 152.0425110 2.84 152.8359985 0.04 160.9760590 0.15 164.9424744 0.84 166.9819489 97.83 179.0595398 0.38 181.1396332 9.90 193.2234192 0.21 194.0520020 0.40 196.8819427 0.12 209.0280151 100.00 216.7625427 0.15 221.1184998 1.08 229.1432495 0.10 231.0487366 0.06 233.1175232 0.53 233.9588928 0.17 235.1455994 0.32 239.0409546 10.72 240.1504517 0.04 250.9663086 0.31 253.5497437 0.32 256.9699402 0.03 263.1318359 0.48 267.4770203 0.12 269.0746155 35.67 271.3571167 0.10 282.9622803 0.79 285.1207581 0.08 286.1885986 0.08 287.0651855 0.28 293.1282654 0.07 297.1524048 0.06 298.3970947 0.07 301.3687744 0.14 310.3760376 0.59 311.2524109 0.45 314.2241821 1.65 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 604.3536 Annotation Unknow Peak:m/z Relative Intensity 173.0962372 0.03 177.1413727 0.03 180.9662933 0.06 181.7675018 0.05 193.3533478 0.06 195.1400146 0.07 196.4007568 0.06 197.2963715 0.03 198.1414185 0.03 198.9317322 0.05 201.9955139 0.02 203.2811584 0.15 205.3022156 0.02 210.8460846 0.06 214.1927185 0.06 214.8261871 0.03 221.0116882 0.07 226.4253387 0.02 227.1447906 0.03 228.0848083 0.02 232.4071503 0.07 233.1520081 0.17 235.3892212 0.03 239.2181549 0.24 242.1959534 0.03 243.2061768 0.18 251.1814270 0.06 259.2667542 0.06 261.2651367 0.20 262.1994629 0.07 263.0532227 0.04 265.1663818 0.08 281.0061646 0.09 283.2717896 0.16 285.2427368 0.12 287.1326904 0.32 291.0809326 0.16 305.0185852 0.16 306.0584717 0.19 307.8765259 0.08 311.2331543 0.14 312.7238770 0.05 315.0333252 0.14 317.9383545 0.03 322.0628052 0.11 324.1045532 0.25 331.1255493 0.15 334.3419800 0.02 340.2926025 0.03 341.2135010 0.01 347.2339478 0.17 349.0988159 0.54 355.3486328 0.07 356.1116333 0.04 357.1170654 0.03 363.1496582 0.12 364.2389526 0.05 367.2742310 0.05 369.2349854 0.08 370.1536865 0.03 370.9907227 0.08 375.0363159 0.07 379.4297485 0.07 385.1480713 0.08 387.4612427 0.04 389.3323364 0.09 393.3541260 0.58 397.3236694 0.07 398.3760986 0.05 403.2253418 0.04 411.2416992 0.10 415.1851196 0.02 416.0640869 0.04 419.2796021 0.12 425.1890869 0.08 426.2385864 0.04 427.4172363 0.05 428.3737793 0.13 433.3504639 0.02 437.4120483 0.23 439.3175659 0.26 440.7702637 0.13 441.4674683 0.01 442.3111572 0.07 443.3724365 0.13 446.7703247 0.02 452.4257812 0.19 453.3122559 0.02 455.2109375 0.07 456.3549194 0.13 457.3565674 0.21 459.3328857 0.02 460.3424683 0.09 463.5689087 0.19 466.3598022 0.03 467.3479004 0.06 468.5998535 0.02 470.5186157 0.38 471.2977295 0.11 472.1497192 0.10 473.2815552 0.19 475.1495361 0.15 476.2066650 0.04 477.9855957 0.02 479.3626709 0.14 480.9016724 0.69 481.5942383 0.17 482.3715210 0.01 483.4512329 0.01 484.3165894 0.10 487.2604980 0.13 488.7311401 0.02 491.4221802 0.04 495.2369385 0.12 496.2050781 0.03 499.2983398 1.30 500.4720459 0.15 501.1756592 0.16 502.2100220 0.03 503.9475098 0.55 509.6492920 0.13 511.1698608 0.06 514.3432007 0.13 515.4634399 0.07 517.8091431 0.17 520.0079346 0.02 522.0098877 0.22 522.9797363 0.06 524.0014038 0.11 525.3746948 0.23 526.3424683 0.11 528.4060059 0.29 529.5490723 0.05 532.2922974 0.04 533.3108521 0.06 536.2367554 0.04 537.7532349 0.03 538.7578735 0.20 541.4743042 0.11 543.1800537 0.40 543.8746948 0.07 544.8795776 0.04 546.0989380 0.11 547.2793579 0.22 548.0866089 0.05 548.9901733 0.07 551.4015503 0.23 553.5607910 0.11 554.3162231 0.10 557.9243774 0.10 558.6853638 0.09 559.7448120 0.21 560.5690308 0.44 563.5274048 0.07 565.1333618 0.73 566.5236816 0.20 567.3036499 0.03 568.1598511 0.11 569.4162598 1.06 571.7714233 0.15 572.4476929 0.03 573.3396606 0.35 574.1622925 0.01 575.6071167 0.05 577.7733765 0.42 579.8142090 0.09 582.3085938 0.20 583.6216431 0.02 585.6096191 0.45 587.3793945 100.00 588.8175049 0.07 590.4467163 0.13 591.9397583 0.32 592.8803101 0.32 595.0415649 0.94 611.5943604 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 318.2993 Annotation Phytosphingosine Peak:m/z Relative Intensity 92.9385071 0.19 94.8617249 0.16 97.0722198 0.09 106.9619598 0.27 109.1644363 0.18 111.1870193 0.18 121.1061630 0.17 123.0772858 0.03 124.9856262 0.02 135.1547241 0.04 137.1250153 0.24 149.0717773 0.06 151.2294312 0.11 177.1284637 0.11 197.1419220 0.03 211.1186523 0.41 215.3179016 0.02 221.0626526 0.07 226.2123718 0.26 226.8569946 0.13 235.0367126 0.19 239.4009705 0.22 240.0972900 0.06 241.5441284 0.10 247.3465271 0.34 252.1384277 0.78 253.1185303 0.63 254.4819336 0.06 256.2997742 0.24 264.3189087 2.16 265.3866272 3.23 270.2789307 1.46 282.3775024 43.33 283.4108582 0.24 300.2958069 100.00 300.9277039 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 822.2593 Annotation Unknow Peak:m/z Relative Intensity 236.1146088 0.54 236.9301758 0.01 254.1643066 0.84 254.9372406 0.03 269.9594421 0.30 272.0418091 0.23 273.1860962 0.01 277.3725281 0.04 278.1193848 0.02 288.0920410 1.16 289.1048584 0.09 296.1118774 0.06 297.2030640 0.04 298.8762207 0.02 306.2235107 2.39 307.3060913 0.27 312.1301270 0.15 313.1437988 0.01 313.9132690 0.02 330.1680908 0.04 335.3074036 0.03 341.2242126 3.17 342.1722412 0.44 343.0151367 0.02 344.2233276 0.03 348.3005981 0.27 349.0047607 0.02 351.0367432 0.02 360.0318604 0.14 374.2860718 0.02 375.2528076 0.03 378.1103210 0.42 390.1437988 0.08 391.2167358 0.04 408.2981567 0.64 409.2946167 0.16 416.3670654 0.27 420.1610107 0.04 434.3276367 0.41 435.1977539 0.06 436.3580933 0.03 438.5712280 0.07 450.1963501 1.06 451.3329468 0.35 452.1139526 0.23 468.2094116 5.90 469.2870483 0.91 480.2915039 0.11 484.0596313 0.14 485.4224854 0.01 486.4396973 0.02 491.1228638 0.07 494.3878174 0.05 495.4128418 0.01 498.1649170 1.73 499.2592773 0.28 501.1608887 0.09 502.2636719 0.09 540.3305054 0.09 541.2255859 0.04 553.0652466 0.02 560.6558838 0.03 566.6315918 0.08 568.1275024 0.07 570.1476440 0.28 571.4772339 0.04 578.2333984 2.37 579.3376465 0.24 594.2782593 0.01 596.3643188 7.07 597.3231812 1.54 600.2394409 0.97 601.1923218 0.24 606.6644287 0.02 610.3931274 0.02 612.2767944 1.84 613.2175293 0.32 624.9842529 0.12 630.2906494 100.00 631.3203735 23.07 642.2582397 0.71 643.3066406 0.39 659.6194458 0.19 660.2201538 7.49 661.3200684 1.77 706.3131714 0.02 710.3729858 0.03 719.4624023 0.13 730.1192017 0.04 732.1478882 0.10 736.3314819 0.07 737.4497681 0.02 769.5382690 0.07 772.5110474 0.04 773.6532593 0.03 775.8308105 0.03 790.4927368 0.08 791.4321899 0.08 792.5966187 0.13 804.5385742 0.78 805.4475708 0.15 806.5511475 0.05 814.2084351 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 649.2 Annotation Unknow Peak:m/z Relative Intensity 183.3230286 0.06 187.2280121 0.04 191.0469513 0.02 193.3590393 0.02 194.9624939 0.03 196.9258423 0.02 200.9959717 0.10 205.8771820 0.04 215.0305939 0.11 216.0903931 0.03 217.3410034 0.06 218.0469055 0.02 218.9325562 0.02 221.1715546 0.02 225.0066223 0.07 227.9547577 0.05 239.1573792 0.14 240.2134552 0.04 240.8872681 0.02 243.2593994 0.31 248.3572998 0.05 258.2346497 0.03 259.2525940 0.02 260.9832764 0.17 261.6316833 0.06 262.9671631 0.01 265.0885315 0.02 271.0950623 0.04 274.4165039 0.20 278.1331787 0.02 279.0756226 0.02 283.3958130 0.02 284.1418457 0.01 285.5081482 0.03 287.3286133 0.28 300.3909912 0.11 302.4124756 0.07 303.3822021 0.04 305.2410889 0.05 306.1301270 0.01 307.1309204 0.02 308.1204224 0.11 309.2224426 0.02 311.1377563 0.04 312.1843567 0.10 316.8674011 0.03 322.4921875 0.08 323.4787598 0.09 324.3911743 0.03 327.5197144 0.04 331.4318848 0.45 332.1749268 0.04 332.8997192 0.03 338.9914551 0.03 349.0700684 0.63 350.0206299 0.06 355.3728027 0.04 356.5599976 0.04 357.9327393 0.07 358.6149292 0.07 362.1700439 0.09 364.5628662 0.04 367.0366211 0.12 370.8124390 0.15 371.4689941 0.12 372.2550049 0.07 375.2567749 0.18 383.4678345 0.03 385.1024780 0.03 387.3301392 0.04 389.1864624 0.02 393.2873535 0.54 394.5457153 0.02 395.5584106 0.02 396.7353516 0.09 399.2563477 0.06 407.5839844 0.05 409.3557739 0.12 411.3284912 0.15 413.2965698 0.08 415.0858154 0.04 416.2217407 0.05 417.4382935 0.06 418.9707031 0.08 420.5897827 0.04 425.4728394 0.09 426.1687622 0.05 428.2229004 0.03 430.5806274 0.09 431.4884644 0.10 432.1631470 0.02 433.4771118 0.08 435.3244019 0.08 436.0760498 0.01 437.2922363 0.51 438.4082642 0.05 440.5354614 0.02 446.2855225 0.06 447.4979858 0.05 455.0162964 0.16 455.9746094 0.02 457.4134521 0.09 459.8388672 0.06 463.4963379 0.02 465.4852295 0.03 472.5682373 0.12 474.3463745 0.10 477.4063721 0.08 478.5593262 0.05 479.2149048 0.12 481.2967529 0.91 482.4628906 0.10 483.5925293 0.14 484.9782104 0.23 487.3601074 0.16 488.2757568 0.07 497.0505981 0.02 499.4186401 0.34 500.3986816 0.30 501.5590820 0.05 503.1049805 0.47 503.8865967 0.07 504.7048340 0.01 505.9761353 0.04 508.3685913 0.07 510.2924194 0.07 511.6582031 0.10 514.9269409 0.17 516.0225830 0.07 517.2611694 0.03 519.3321533 0.08 521.0189819 1.74 525.1593628 0.72 529.4196777 0.05 530.6698608 0.06 532.7615967 0.05 534.4811401 0.12 535.1723022 0.05 537.5358276 0.11 539.3970337 0.02 542.2163696 0.11 543.3795776 1.06 544.3428955 0.04 544.9811401 0.03 545.9213867 0.05 552.7224731 0.06 557.2310791 0.08 558.8178101 0.07 560.5275269 0.18 562.3049316 0.32 566.6217651 0.08 567.6299438 0.07 569.2071533 0.31 574.3526001 0.08 575.3837891 0.21 576.2659912 0.22 579.2048950 0.21 580.0426636 0.06 582.6086426 0.13 583.8320312 0.03 584.7506714 0.07 587.2788086 0.68 588.2210083 0.11 590.0874634 0.02 592.4252930 0.04 593.9580688 0.07 595.1351929 0.29 597.7060547 0.18 598.8197632 0.23 599.4590454 0.11 600.5156860 0.11 601.2824097 0.13 602.8088379 0.21 604.9965210 0.07 607.5811157 0.16 608.8994751 0.06 610.0828857 0.45 610.8540649 0.13 611.7507324 0.15 612.3685303 0.03 613.4158325 1.14 614.3777466 0.45 615.5457153 0.13 616.8330688 0.06 622.7588501 0.03 626.4199829 0.16 628.9572144 0.05 631.3097534 100.00 632.3124390 12.89 633.0120239 0.05 635.2495728 0.04 637.4793091 0.13 638.1565552 0.05 639.1942139 0.20 640.0906982 0.42 640.9421997 0.17 653.5254517 0.13 659.5131226 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 623.33 Annotation Unknow Peak:m/z Relative Intensity 183.2348175 0.25 185.2108917 0.17 187.1894989 0.04 193.0117035 0.31 194.2261200 0.10 199.7107239 0.05 201.2612915 0.19 204.9467163 0.09 213.0525513 1.01 214.1792450 0.25 217.1023712 4.36 229.0457153 1.05 231.1284943 1.82 232.4982300 0.06 235.2287292 0.31 242.2805786 0.50 245.1636200 4.15 249.1615601 3.22 260.0177307 1.14 261.6790161 0.50 263.2656860 0.06 267.1303711 0.08 268.2973328 0.26 276.3900146 0.10 277.1657715 0.21 278.9762268 0.20 283.2707214 0.08 284.3085938 0.24 285.1173096 0.37 287.1722717 0.05 298.3345032 0.20 299.9828796 0.33 300.8836060 0.08 309.3101807 0.05 311.0727539 0.34 312.4140015 0.16 313.7066650 0.14 314.6928406 0.07 316.2213745 0.45 317.3750305 0.10 321.0063477 0.19 322.4434204 0.14 327.3093872 1.53 327.9387207 0.37 330.2360229 1.85 340.4711304 0.17 342.1274414 0.47 344.3312378 0.35 346.3005371 0.47 348.1307983 1.96 361.1301270 0.10 362.1251831 0.18 367.3292847 0.09 368.3734131 0.09 369.3350830 0.13 371.1660767 0.15 377.2254028 0.32 380.2285767 0.26 384.3200073 0.18 385.5233154 0.31 387.3560791 0.14 388.8188477 0.14 391.2628784 0.09 395.9874268 0.22 397.2285767 0.11 399.9914551 0.53 405.1567383 0.21 409.1789551 0.16 411.5655518 0.06 413.1815186 1.11 414.3629761 0.31 415.1553345 0.20 419.0930786 0.06 420.5009155 0.34 424.3333130 0.13 427.0420532 0.71 430.0268555 0.10 434.2578125 0.05 435.6046753 0.30 437.1812744 0.11 440.3621826 0.18 441.8577271 4.31 443.3931274 0.50 444.1721191 0.20 447.3102417 0.15 449.4924927 0.98 451.4157104 0.15 453.3939819 0.12 454.5767212 0.83 459.8596802 0.09 461.4832153 1.43 462.7549438 1.09 466.5031738 0.23 468.7836914 0.97 469.5870361 0.41 470.5090942 0.40 472.9528809 0.29 476.2614746 0.07 481.2182617 0.09 483.7208862 0.31 485.6047363 0.23 487.4265747 0.32 490.2275391 0.75 492.3487549 7.50 494.0395508 1.27 494.8748169 0.70 496.4277344 0.16 498.0187988 0.09 499.4353638 2.41 501.3475342 100.00 502.1220093 3.31 503.2686768 0.55 503.9589844 0.24 504.9645386 0.38 506.3859863 0.31 509.3936157 0.50 510.2859497 0.20 512.3488770 0.48 514.1704712 1.16 515.9072876 0.38 525.4054565 0.80 526.8513794 0.11 530.6660767 0.62 531.7216797 0.07 532.8939819 0.16 533.8681030 1.00 534.6560669 0.12 536.6636963 0.37 541.6195068 0.85 542.8171997 0.46 544.4002075 0.19 546.6193237 0.19 547.4974365 0.23 548.6014404 0.50 549.6662598 1.45 550.9873047 2.14 551.6824951 0.14 553.0385132 0.23 554.7117920 0.74 555.4995728 0.60 557.1209106 0.73 558.0355835 0.66 559.6304321 0.29 561.3978882 0.29 563.7655640 9.54 564.7630615 0.70 565.7301025 0.41 566.4914551 0.13 569.2493896 0.70 569.9738159 0.52 571.2766724 1.96 572.0925293 0.61 573.0113525 0.07 574.5564575 0.35 575.3982544 0.25 577.4696655 1.03 578.1632690 0.82 578.9072876 0.13 579.5674438 0.24 580.3482056 0.15 581.7577515 0.41 583.1646118 0.29 585.1979980 0.49 586.7395630 0.09 587.6420288 0.98 588.3478394 1.09 589.1545410 0.57 592.4512329 1.00 594.3234863 0.16 595.7974243 1.76 597.1897583 1.62 597.8972778 0.23 599.3838501 0.35 600.4730835 0.22 601.6666870 1.05 603.0523071 0.98 605.1339722 3.31 605.7797241 1.80 606.4802246 0.23 607.7015991 1.35 608.5925903 1.17 610.5381470 0.30 611.6929321 1.27 613.7746582 2.09 614.5000610 10.88 615.9631348 0.20 619.0521240 0.10 620.6783447 0.08 631.3180542 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 724.34 Annotation Unknow Peak:m/z Relative Intensity 206.3710327 0.16 206.9826050 0.08 208.1279907 0.09 213.2873230 0.23 218.1363831 0.45 231.2589417 0.56 234.1951904 3.15 235.4290466 0.23 238.8996277 0.08 251.4658508 0.40 252.1659546 0.10 260.4638062 0.05 261.2088318 0.09 265.2015381 0.18 275.1099548 0.37 278.3316040 0.20 292.0233154 0.23 293.3649292 0.10 298.2518311 0.15 301.1020203 0.17 303.7626038 0.54 305.3957520 2.66 309.3766479 0.39 314.0433350 0.36 316.0119629 0.52 317.1387939 0.11 322.2795410 16.50 334.2647705 0.17 337.4002991 0.38 340.2929077 0.21 341.1615601 0.11 348.3187866 2.43 349.2296143 0.15 353.3380127 0.62 354.2359619 0.26 355.2886963 0.10 357.9229126 0.44 360.3312988 3.44 363.0358276 0.34 369.7981567 0.32 373.0776978 0.45 374.0604248 0.12 377.2097778 0.10 378.3530884 0.17 383.4374390 0.17 389.6825562 0.72 399.3900146 0.18 405.6005249 0.10 410.5805054 0.11 413.4874268 0.39 418.3487549 0.15 423.4067383 0.51 424.1821289 0.09 426.2583618 0.67 428.4769897 0.14 432.2199097 0.08 432.9175415 0.16 442.3672485 0.10 447.2058105 0.37 450.1938477 0.48 451.2949219 0.15 453.4924927 0.85 458.2070923 0.20 460.4214478 0.18 461.3892822 0.45 462.6859741 0.17 465.1135864 0.19 466.3943481 0.62 468.2628784 0.41 474.4495239 0.17 475.5279541 0.09 476.4460449 0.69 478.0053711 0.43 482.2876587 0.19 483.2012329 0.10 484.4407349 0.10 487.1805420 0.17 492.0545654 0.27 495.4806519 0.11 496.4867554 0.74 497.2094727 0.69 498.3602295 0.64 503.0115967 0.26 505.4781494 1.12 510.5167236 0.23 512.8339233 0.27 515.1597290 0.25 519.8973389 0.50 523.3811646 0.24 525.5579224 0.11 526.5027466 0.19 527.8258667 0.06 529.3455200 0.62 530.8164062 0.19 533.3005981 0.12 536.3897705 0.46 538.2763062 1.10 540.4584351 0.31 542.4135132 0.82 544.0294800 0.72 545.4082642 0.18 548.2283325 2.52 550.5317383 0.30 552.3178711 0.47 553.3937378 0.48 554.3710327 0.65 556.6923218 0.71 557.3778687 0.34 558.2808228 0.22 559.3410034 0.17 560.4047852 0.48 561.0978394 0.11 562.8972778 0.35 564.1475220 0.74 570.5839233 0.08 573.6093140 0.87 574.7885132 0.18 575.5228882 0.78 577.9053345 0.85 578.5478516 0.97 582.3336792 0.23 584.4435425 0.32 587.4788208 0.07 589.6337280 0.35 594.2524414 0.12 595.3173828 1.11 599.4682617 0.07 600.1762695 1.27 601.1679077 0.16 603.4337769 0.54 609.9749146 0.53 614.7031250 0.12 616.5386353 0.27 617.2418823 0.29 621.1769409 0.49 622.2333374 0.25 622.8736572 0.32 624.3076782 0.46 630.5419312 0.24 631.5034790 0.48 632.5623169 1.21 634.5814819 1.27 635.3677368 0.65 637.2422485 0.21 640.9457397 0.71 641.9245605 1.64 643.1800537 0.69 644.0923462 0.34 645.2406006 0.57 648.2570190 0.28 650.3304443 45.41 651.4446411 1.14 653.7262573 0.07 655.7465210 0.28 656.8290405 1.70 658.0401611 1.37 659.7926025 1.53 660.6458130 5.74 661.2901611 1.40 663.2254028 2.34 664.9401245 1.06 668.4446411 0.33 671.8883057 5.82 673.1602173 2.79 674.7679443 0.58 675.7359009 0.60 676.4229126 1.68 678.4508667 0.40 679.4887085 0.36 681.0509644 0.09 683.4421997 1.79 684.3960571 1.60 685.5838623 0.63 688.2972412 4.66 688.9035034 0.09 689.5683594 0.10 690.4707642 0.86 691.4417725 0.82 692.3926392 0.94 693.5770874 0.83 694.7987671 1.33 695.7015381 0.36 697.0234985 1.15 699.4414673 0.74 700.6343384 0.20 701.3978882 0.90 704.4618530 0.09 706.3375244 100.00 707.4122925 3.11 708.8043823 1.50 709.7083130 0.13 711.1276855 0.24 712.4644165 1.69 714.4552612 1.12 715.0874023 1.96 717.7949219 0.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 671.1822 Annotation Unknow Peak:m/z Relative Intensity 243.0100403 0.02 251.1290741 0.05 254.0869293 0.05 272.9655762 0.08 280.1771240 0.03 295.3452454 0.03 306.2050171 0.13 308.7549438 0.03 315.2447510 0.03 327.2620544 0.63 341.1905518 0.88 346.5133667 0.13 359.3353882 0.18 370.1834717 0.11 375.2298584 0.05 407.5407104 0.16 424.7399292 0.15 440.1713867 0.04 444.5053711 0.10 451.4834595 0.10 459.1517334 0.24 465.3065186 0.17 473.2801514 0.10 477.9008789 0.05 486.3316040 0.05 491.0096436 0.84 492.0433350 0.10 493.1954346 0.07 507.3283691 0.07 509.2572021 100.00 523.2785034 0.10 539.3750610 0.17 541.2604370 0.55 550.0374146 0.08 551.0298462 0.55 552.3034058 0.28 555.4674072 0.08 556.3889160 0.11 557.3980713 0.04 570.5480957 0.12 581.1485596 0.72 585.4707031 0.06 586.6290894 0.03 595.3444214 0.05 598.3873291 0.05 602.8646851 0.04 605.9467163 0.04 607.1235962 0.02 608.3463745 0.05 609.7736206 0.20 610.5623169 0.25 611.2600708 0.46 621.4452515 0.06 623.1603394 0.03 624.2268677 1.55 625.2682495 0.26 626.7518921 0.38 627.3562622 0.03 634.6587524 0.08 635.5458374 0.14 636.9601440 0.05 639.3414917 0.03 641.3010254 0.25 646.4993286 0.04 652.3502197 1.22 653.4383545 0.34 656.7673340 0.18 661.6077271 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 555.1487 Annotation Unknow Peak:m/z Relative Intensity 168.9680023 0.23 183.0163574 0.07 184.0985107 0.16 199.0683289 0.15 200.1403656 0.12 201.2329712 0.09 205.3076477 0.04 206.1199341 0.06 207.0057678 0.04 214.3902435 0.06 227.1451416 0.10 233.2420349 0.11 257.1795959 0.10 262.8479004 0.09 265.6549988 0.11 271.0122070 0.86 277.2438965 0.20 281.2824097 0.12 291.1471863 0.13 295.1040344 0.07 296.4444275 0.58 297.1525269 0.37 303.3582153 0.05 309.2810669 0.39 322.1491699 5.22 323.2292480 11.34 327.2572632 0.03 335.1861572 0.37 340.1412964 14.42 341.0754395 2.12 342.7996216 0.18 350.3109131 0.32 351.1524658 0.84 356.1307983 0.09 365.5831299 0.23 369.0442505 0.32 377.2130127 0.46 381.3449097 0.04 382.7768555 0.19 389.1520386 0.23 393.3653564 0.06 395.1627197 0.15 397.5623779 0.08 403.2139282 1.12 405.4206543 0.08 415.4111328 0.19 417.4046631 0.28 418.9119263 0.04 431.2536011 100.00 435.2276611 0.08 447.5444336 0.11 448.2863770 0.29 448.9124756 4.35 449.6491699 0.13 465.2117920 0.03 467.1771851 11.67 473.4281616 0.31 475.4568481 0.04 476.2409058 0.07 484.6168213 0.05 487.7184448 0.05 493.3627930 0.08 495.0856323 0.64 497.2833862 0.08 509.3742065 0.48 510.0009155 0.55 513.1172485 0.19 519.3042603 0.20 527.2173462 3.96 528.7580566 0.38 536.2291870 0.22 537.2804565 0.51 538.1631470 0.34 538.9854126 0.17 545.3143311 0.14 547.0354614 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 819.8857 Annotation Unknow Peak:m/z Relative Intensity 242.0092621 0.03 306.2687378 0.04 319.3185425 0.02 324.2216187 0.13 334.2808838 0.03 351.4771118 0.02 385.3344727 0.05 391.3657227 0.02 409.2830811 0.03 413.1544189 0.03 417.5715942 0.03 439.5252075 0.03 441.2341309 0.06 463.0739136 0.02 471.4645386 0.20 477.1141968 0.19 483.2922363 0.28 494.6350098 0.05 495.4628906 0.11 513.2979736 0.18 536.3356934 0.10 548.2644043 0.02 553.3561401 0.09 559.1890259 0.04 565.2037964 0.03 567.2651978 0.05 570.6773682 0.07 576.5635986 0.04 580.4192505 0.18 581.5714111 0.02 583.2291870 0.06 593.6959839 0.02 594.3467407 0.09 595.3853149 0.10 601.1549683 0.58 612.4393311 3.74 625.2426758 0.12 626.3796387 0.12 627.2341919 0.26 630.4602051 0.32 643.2490234 0.89 644.1087036 0.02 653.5325317 0.04 657.4121094 0.18 659.1594238 0.03 675.4689941 0.01 676.5370483 0.07 687.2380981 0.11 689.4097900 0.02 691.7029419 0.04 698.5360107 0.11 699.4558105 0.04 704.6085815 0.02 708.6154175 0.23 711.9966431 0.16 717.4961548 0.07 718.3099976 0.04 725.4501343 0.03 732.5921021 0.14 735.2709351 0.14 737.9807129 0.28 740.4037476 0.06 741.5686646 0.04 747.4682007 0.30 756.7500000 0.14 757.5193481 0.06 759.2159424 0.44 760.0907593 0.05 762.0524292 0.26 766.5394897 0.01 775.3711548 0.01 777.2037354 2.15 778.2088623 0.40 780.8953247 0.02 783.3899536 0.05 785.7158203 0.02 787.4393921 0.12 789.9558716 4.97 795.9735718 1.64 796.6475830 0.11 801.8300781 0.30 802.7501831 0.13 803.3601074 0.13 804.9110107 100.00 806.1546021 0.09 853.7111816 0.09 869.9256592 0.10 925.6513062 0.04 928.4909668 0.03 963.7930298 0.03 966.2738647 0.03 1013.3439940 0.06 1095.9167480 0.05 1101.7231450 0.09 1125.7586670 0.06 1348.4506840 0.04 1393.3029790 0.02 1537.7393800 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 320.092 Annotation S-Methyl GSH Peak:m/z Relative Intensity 109.1008148 0.53 114.0315094 0.18 115.0369568 0.12 125.1146851 0.41 126.9962616 72.29 127.9592209 49.49 130.2745056 0.15 130.8904419 0.08 133.0979919 0.17 140.0742188 0.04 141.8910522 0.24 142.8341064 0.09 144.1632996 0.06 144.9325562 0.30 153.0039368 0.06 155.1252136 0.04 157.1928101 0.07 158.9665833 4.20 160.1560669 0.88 167.2238464 0.52 171.0986938 0.09 173.9542084 3.16 179.0629425 1.26 180.8448792 0.05 184.4320374 0.48 185.1748962 0.96 190.0704651 0.09 191.0875549 2.54 192.2904205 0.96 193.1195831 0.20 197.0380249 0.44 199.0116272 0.51 206.0472412 0.07 210.1523743 23.67 213.1705627 0.93 216.9309082 0.09 218.1930847 0.32 221.5421143 0.05 223.5679016 0.11 224.2227173 0.11 224.9847107 0.17 231.1534119 0.59 234.0375061 0.23 236.1063843 2.27 242.1275635 16.35 244.2276306 0.92 247.9814453 0.15 250.1261292 0.15 254.1427612 7.26 257.8060303 0.08 260.3102112 0.11 268.1173706 34.01 270.0516968 2.07 274.2430115 0.29 276.1776733 0.22 278.0247498 0.30 284.0967407 0.14 286.1412964 100.00 287.0276184 0.13 288.1393433 2.04 302.1019897 23.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 491.2106 Annotation Unknow Peak:m/z Relative Intensity 147.9985046 0.43 183.1078644 3.44 184.0847321 0.11 187.1971893 0.53 198.2843933 0.11 205.0801697 0.72 211.1049347 2.25 211.7930603 0.64 215.0179749 0.14 221.2710571 0.12 223.0190430 0.25 224.6365967 0.16 227.2309265 0.09 228.1086121 0.13 233.2672729 0.05 234.2825928 0.20 245.2138977 0.24 247.1288757 0.43 249.1864624 0.05 261.4460449 0.06 274.4595032 0.08 278.0046082 0.26 288.3769226 0.42 295.1578369 0.43 304.6037292 0.23 314.3725586 0.10 315.2739868 0.04 319.3870850 0.23 325.8801575 0.26 329.1627197 0.16 330.8116455 0.09 334.0624390 0.26 344.0560303 0.14 349.0907593 0.17 353.1223755 0.25 355.1190186 2.00 358.1124878 0.32 364.4735718 0.66 371.3783875 0.52 374.2290344 0.07 379.7530212 4.44 380.4415588 0.58 382.9428406 0.32 387.7317200 0.16 390.3483276 8.18 391.0177002 0.64 397.2592468 0.05 402.1896973 0.31 403.1448059 0.59 408.9606934 0.08 410.4791565 0.84 411.8311157 0.25 412.7962036 0.29 415.0323181 0.36 417.3531189 0.35 419.8481445 0.47 420.4759827 0.67 422.7904968 0.25 425.0108643 0.34 428.3095703 0.13 430.5808411 8.34 431.2805176 1.77 432.0299988 1.18 432.9809570 0.74 433.9338989 0.09 435.0114441 1.22 439.0424500 0.35 440.5161743 2.28 441.6922302 0.86 442.4517517 3.52 445.5307617 0.50 446.5963440 0.11 447.9008179 0.57 448.6383972 0.20 451.0822449 4.49 452.0631409 4.30 453.3794250 3.25 454.1516113 2.70 455.0050354 0.47 456.9319763 2.67 457.6777344 0.70 459.6728821 0.85 461.0922241 0.95 462.3130188 5.29 463.0696716 9.59 463.8854370 0.67 465.1492004 0.30 465.9019775 0.21 466.8659973 1.28 467.6841431 0.22 470.5498657 1.68 471.2820740 0.45 472.0364685 0.31 473.4739075 0.87 474.1712341 0.42 475.4017029 1.73 476.2498169 1.93 477.2219543 1.67 479.9979553 7.07 480.7709045 0.93 482.2395935 8.48 483.1034241 1.17 484.5946350 0.25 485.6987000 4.71 486.5234985 0.54 499.0938110 0.05 501.8476868 0.12 505.3588257 0.29 506.2946472 0.14 509.0802612 0.26 515.4376831 0.32 520.9375610 0.18 522.4461060 0.16 526.8582153 0.27 530.1150513 0.73 532.4902954 0.14 534.7771606 0.42 535.6085205 0.10 539.4065552 0.82 540.4073486 0.44 541.2892456 0.41 544.5554199 0.16 546.2118530 0.84 552.0398560 0.46 554.8851929 0.19 555.5855103 0.23 557.9983521 2.92 559.5880737 0.32 561.9285889 0.15 564.4202881 0.88 566.8646240 0.13 569.1481323 1.54 570.2334595 0.82 571.2057495 1.11 572.3783569 0.17 573.4177856 0.34 574.4869995 0.14 575.1525269 0.31 576.8512573 0.55 578.1752319 2.30 578.9340820 0.71 580.2230835 0.33 581.3999634 0.23 582.5875854 0.64 583.2812500 0.35 585.2808228 1.12 586.5835571 0.08 587.8234253 0.23 588.9481812 0.56 591.7730713 1.28 592.9954224 0.57 595.4621582 1.78 596.2276001 0.19 597.0321655 0.13 597.7108765 0.21 600.0443726 0.44 602.0602417 0.58 603.6115112 1.23 604.7891235 0.18 606.6315308 1.29 607.4663696 0.26 608.0828857 0.22 612.6691895 0.89 613.3535767 0.39 615.6499023 0.56 616.5599365 0.60 617.5209961 0.78 618.6224365 0.72 619.4550781 0.27 620.3569946 0.55 621.3749390 0.68 623.0185547 10.17 624.0657349 2.98 625.7394409 0.54 627.1983032 0.32 628.3778687 2.33 629.4395142 2.44 631.2888794 14.91 631.8971558 8.57 632.6317749 7.34 634.1998291 1.79 635.3093872 2.55 636.4892578 3.44 637.4004517 0.20 638.5595703 0.35 641.6221313 0.60 643.4212036 1.04 644.1713257 0.20 645.5538940 29.38 646.4489746 5.98 647.0723267 2.91 649.7229614 1.00 651.3869019 0.66 652.1802368 0.68 654.3018799 1.47 655.2731323 0.95 656.9209595 0.82 658.1191406 1.72 660.2149048 1.94 661.2035522 0.68 662.1362305 0.16 663.2175903 3.78 664.1113892 2.21 665.5455322 0.94 666.2017212 0.61 670.0859375 0.32 671.2275391 8.98 672.0671997 6.83 672.8618774 1.31 673.6277466 0.09 674.4111938 0.30 676.1289062 0.37 677.1607056 4.37 678.2390137 1.64 680.0316772 100.00 681.0354004 33.18 682.0175171 2.68 683.0863037 0.43 684.9657593 2.38 685.6293945 0.35 688.0889282 3.50 689.3988647 0.70 690.1046143 0.13 694.0892944 74.16 695.1011353 23.20 696.1449585 0.40 697.1497803 0.52 700.2638550 0.39 708.5498657 0.39 709.4677124 0.37 730.4300537 0.09 736.3092651 0.30 748.5247192 0.13 752.5645142 0.07 758.3048706 0.32 762.7662354 0.15 764.4107056 0.12 766.4935303 0.27 779.3784180 0.89 807.3643188 0.10 809.5493774 0.26 810.3898315 0.51 839.9819946 0.14 865.3757935 0.19 873.7553101 0.41 881.3305664 0.22 883.1975098 0.06 892.7375488 0.26 893.6261597 0.25 898.6044922 0.03 910.3694458 0.12 912.0715942 0.28 914.4985962 0.13 915.4987183 0.11 927.1989136 0.25 944.4636841 0.18 959.3310547 0.36 963.7409668 0.09 974.5897827 0.16 976.8125610 0.28 986.2675781 0.28 998.0191040 0.25 1001.2924190 0.30 1014.5258790 0.06 1027.4238280 0.29 1043.7988280 0.33 1057.5896000 0.15 1062.4218750 0.14 1079.7796630 0.09 1081.3364260 0.09 1082.4482420 0.22 1083.3841550 0.06 1084.6983640 0.19 1092.1718750 0.17 1096.4755860 0.11 1098.5157470 0.07 1103.9346920 0.10 1148.4660640 0.66 1149.4389650 0.90 1150.4010010 0.10 1156.3626710 0.18 1158.3295900 0.10 1170.7656250 0.29 1176.5644530 0.62 1177.8294680 0.39 1184.1343990 0.43 1192.3084720 0.07 1211.5391850 0.18 1224.6396480 0.07 1230.3538820 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1345.6062 Annotation Unknow Peak:m/z Relative Intensity 467.3363647 0.60 469.5963745 0.10 569.8211670 0.05 611.8291016 0.08 613.3975830 0.49 631.6284180 1.59 653.4665527 0.06 673.3850098 0.25 721.3861084 0.04 727.5061646 0.09 739.5203247 0.28 757.5108643 1.82 775.5535278 3.46 793.5535889 0.91 799.1983643 0.04 817.4211426 10.67 818.1647339 0.11 833.6139526 0.05 835.4835205 24.98 836.1082764 0.23 859.2469482 0.15 877.4178467 100.00 878.1195068 0.19 889.0168457 0.08 917.4318848 0.31 919.1324463 0.27 959.3112793 0.37 1021.5307620 0.10 1132.4353030 0.12 1198.5771480 0.09 1201.5980220 0.06 1285.3536380 0.29 1287.4614260 0.25 1291.1416020 0.08 1301.5765380 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 377.09 Annotation Lactulose Peak:m/z Relative Intensity 113.0309677 0.05 143.0636597 0.03 179.0068665 0.64 197.0966797 0.39 215.0776367 7.91 280.9266968 0.04 341.1546631 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1231.5747 Annotation Scillanoside L2 Peak:m/z Relative Intensity 394.9383545 0.03 406.6884155 0.04 425.3497009 0.02 467.2835693 0.78 468.0793457 0.05 469.6378784 0.05 557.6989746 0.12 583.4603271 0.06 584.4095459 0.07 591.5297852 0.08 601.4907227 1.48 602.6051025 0.45 628.7431641 0.05 682.9650879 0.03 697.6766968 0.07 709.4827271 0.02 745.6158447 0.80 746.5444946 0.09 763.4749146 100.00 764.5054321 17.60 765.1774292 0.05 793.3244019 0.02 805.5244141 0.84 842.7019043 0.02 845.4680176 0.22 860.5885010 0.03 907.1662598 0.02 907.9599609 0.02 1087.2790530 0.13 1088.0174560 0.11 1115.1796880 0.01 1129.6584470 0.05 1170.7116700 0.04 1211.9274900 0.02 1214.1195070 0.25 1220.8894040 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 379.08 Annotation Didymocalyxin C Peak:m/z Relative Intensity 113.1866608 0.03 160.8776093 0.02 179.0488129 0.84 179.9514618 0.09 197.0599365 0.15 197.9768372 0.06 199.0643768 0.64 215.1415253 1.74 216.2903137 1.93 217.1288605 8.25 251.1565857 0.06 263.7740784 0.02 281.1229248 0.03 281.9273682 0.03 323.2902222 0.02 341.1531372 100.00 342.1050415 31.42 343.2504578 10.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 601.3182 Annotation Unknow Peak:m/z Relative Intensity 186.1237793 0.13 187.1096344 0.04 193.1053772 0.18 194.4072113 0.12 199.1624908 0.42 203.2030029 0.05 207.3362122 0.08 208.9291382 0.12 217.2044983 0.22 220.8498383 0.06 223.3099823 0.28 225.6875916 0.18 227.1947174 0.25 234.2386780 0.39 235.2090759 0.05 240.3701782 0.34 242.3415985 0.07 247.3976135 0.89 251.8963928 0.13 261.2280884 1.34 264.2603149 0.10 266.1101685 0.08 268.1607666 1.53 269.2625122 0.12 270.1471558 0.18 280.1654663 0.17 281.2985840 0.09 284.2798157 0.10 286.3791504 0.33 287.2509155 0.22 292.3017578 0.07 295.3721924 0.06 296.7915649 0.79 297.8418579 0.37 306.9892578 0.07 309.2888184 0.10 312.5563354 0.18 313.3261108 0.40 314.0120544 0.12 316.8854370 0.23 323.0017700 1.18 324.3363342 0.23 327.4098511 0.14 328.2230225 0.15 329.9003906 0.32 332.1619873 0.23 333.4512329 0.11 334.1354980 0.05 334.9293823 0.13 339.3109131 1.35 341.3018799 5.81 342.0828247 0.03 345.1760864 0.07 359.6383667 0.17 363.6964722 0.43 367.2854004 0.58 368.3583374 0.06 369.5885010 0.08 371.2592163 0.11 372.6175537 0.29 374.2041016 0.37 376.6199951 0.04 382.4716797 0.39 383.6266479 0.25 387.0627441 0.18 388.3449707 0.16 394.3003540 0.91 395.3616333 0.81 396.3300781 0.99 397.1622925 0.11 398.2464600 0.18 405.0998535 0.05 411.0005493 0.69 412.1987305 1.58 415.3301392 0.88 422.2879639 22.55 423.2187500 0.27 429.2517700 59.67 430.0922852 1.02 438.1013184 0.25 440.2459717 100.00 440.9500732 0.23 441.5541382 0.29 442.2445679 0.08 444.1959839 0.17 448.3354492 0.18 454.3275757 0.18 455.4989624 0.10 459.3763428 4.86 460.1535645 0.11 462.2424316 0.39 464.9208984 0.03 466.2116699 0.33 467.2968140 0.37 468.3892822 0.29 471.9177856 0.09 472.9122314 0.25 478.5695190 0.19 481.4325562 0.32 482.2678223 0.96 484.2125854 0.52 485.6628418 0.08 486.6116333 0.28 490.9160767 0.38 493.1563721 0.31 493.7970581 0.59 494.4057007 0.18 496.4298706 0.40 497.2756348 0.38 500.3277588 0.06 501.5090942 0.11 505.3139038 0.56 506.3980713 0.09 510.5363159 0.44 511.5640259 0.34 512.3931274 1.25 516.2879028 0.44 519.3201294 0.21 520.2919312 0.49 521.3529053 0.24 522.1122437 0.23 524.4866943 0.07 526.1256714 0.50 527.4789429 0.42 528.8855591 0.13 533.2149658 0.57 534.0381470 0.13 535.0773926 0.44 535.6893921 0.15 537.5834961 0.44 540.0460205 0.08 540.8546753 0.56 541.5501099 0.19 542.1616211 0.22 547.2584839 0.07 549.2525635 0.34 551.8229370 0.12 553.2937622 0.24 555.3486938 0.36 556.4277954 0.58 557.3970337 0.70 558.3208008 0.45 559.9719238 0.48 560.7306519 0.26 563.1793213 1.24 564.5985718 0.40 566.5318604 2.50 568.1785889 0.21 569.2996216 1.53 570.7312622 0.11 577.3016357 0.29 578.9140015 0.25 581.0902710 0.58 582.1099243 0.06 583.4445801 41.51 584.7702026 0.24 586.3541260 0.14 587.5016479 0.13 589.2611694 1.10 590.5458374 0.52 592.3773804 2.03 593.6340942 0.08 594.8869019 0.49 612.3928223 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 903.4633 Annotation Unknow Peak:m/z Relative Intensity 280.1166992 0.07 383.0002441 0.07 493.0989990 0.34 535.3685303 0.20 550.3488159 0.14 597.3676758 0.11 641.9237671 0.03 659.4601440 0.17 684.7954102 0.20 685.6961060 0.04 698.4214478 0.35 703.3726807 0.07 710.6824341 0.09 724.3438110 0.27 728.3595581 1.73 735.3608398 0.11 772.5308228 0.04 781.6179199 0.13 829.4757080 21.50 830.1022339 0.51 841.5368042 1.32 855.2800293 0.20 859.4267578 20.23 860.0847778 0.08 873.4521484 100.00 874.1312866 0.89 885.4674072 1.44 893.9472656 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 516.1645 Annotation Neoacrimarine G Peak:m/z Relative Intensity 155.1477203 0.02 167.2299500 0.28 168.9490967 0.03 173.1345673 0.14 177.0592346 0.15 179.0854492 0.09 188.2972717 0.02 207.1082458 0.05 207.8823090 0.05 209.1496887 0.03 215.1817322 0.04 219.1796722 0.04 229.1619873 0.17 241.0387421 0.08 245.1923218 0.09 266.1054688 0.70 267.1236267 0.57 271.9806519 0.09 284.0191040 6.45 284.7647705 0.02 287.2615967 0.02 290.1611328 0.03 306.2636108 0.02 308.1221313 0.45 311.2247314 0.06 312.2150879 0.11 313.3314819 0.10 322.9692993 0.06 324.1034546 0.27 325.2945557 0.06 328.7871704 0.10 330.1331787 0.07 354.0448608 0.12 354.9788818 0.12 366.1566772 0.03 369.1455078 100.00 369.8150024 0.25 378.3073730 0.03 380.2691650 0.11 386.9578857 0.36 394.2778320 0.07 394.9467163 0.23 397.7738037 0.07 408.3937988 0.15 409.5727539 0.02 412.2543335 0.42 421.1855469 0.08 423.2604980 0.80 426.4579468 0.12 430.9666748 0.13 437.4716187 0.09 438.6629639 0.07 441.1672363 3.93 441.7759399 0.03 448.5437012 0.16 451.5025024 0.18 453.1544800 0.33 470.9268188 0.07 474.1992798 0.05 479.4792480 0.11 485.9582520 0.09 497.4813232 0.36 498.3357544 0.89 499.3001099 0.54 500.3340454 0.10 504.1394043 0.32 504.8220825 0.21 506.2426758 0.17 507.3392944 0.04 508.8347778 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1103.5264 Annotation Saponarioside M Peak:m/z Relative Intensity 323.2874146 0.03 351.0160522 0.02 389.4365540 0.03 390.5042725 0.03 393.0819702 0.05 395.3256836 0.12 407.1940002 0.15 408.3413696 0.05 423.3390198 0.03 427.5464478 0.29 429.3753052 0.02 431.2733154 0.03 439.5979309 0.06 443.5424194 0.03 449.4426880 0.02 455.8289185 0.07 459.3320923 0.23 460.2309570 0.10 467.3040466 1.14 468.1992188 0.12 485.3703613 0.04 501.5638428 0.05 503.3267517 0.23 504.4384460 0.02 509.2027283 0.01 514.2775269 0.04 521.5145874 0.07 556.4329834 0.02 576.3958740 0.02 591.6488037 0.35 592.6461182 0.08 617.1686401 0.07 618.0261230 0.07 635.4475708 100.00 636.5063477 22.61 640.4609375 0.03 649.5808716 0.02 677.5494995 0.51 678.5295410 0.14 717.4658813 0.07 718.6774902 0.06 719.6129761 0.06 779.4387817 0.14 799.3214111 0.22 818.1708984 0.01 821.3343506 0.03 839.4055176 0.11 854.1304932 0.01 898.0920410 0.01 941.7056885 0.14 942.4541016 0.05 959.2438965 1.56 960.3289795 0.21 1001.0762940 0.03 1014.1336670 0.11 1059.4160160 0.02 1060.2927250 0.04 1064.1762700 0.09 1072.6937260 0.03 1080.2459720 0.05 1086.6721190 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 482.1598 Annotation Unknow Peak:m/z Relative Intensity 159.0552979 0.15 162.1507111 0.06 174.0943756 0.16 184.9423981 0.04 194.9116516 0.09 210.0139313 0.37 211.8861694 0.05 213.3769531 0.03 226.1992493 0.15 235.9165344 0.05 242.0595703 0.41 254.1324463 0.23 257.4066162 0.02 267.9763184 0.71 269.4914551 0.13 277.2829895 0.09 286.0860596 2.69 288.3479919 0.12 302.0017090 1.03 305.1556091 0.04 320.1195068 100.00 321.3751831 0.06 365.3894043 0.13 390.4584351 0.03 413.2834473 0.02 419.5810242 0.17 423.2361755 0.10 435.2844543 0.21 436.3716736 0.32 437.3360901 0.27 439.5900574 0.10 443.2447510 0.03 452.3521423 0.12 463.3312683 0.12 464.4006958 0.12 465.2846985 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 182.0807 Annotation 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline Peak:m/z Relative Intensity 61.8840027 0.01 87.0519943 0.01 118.4912720 0.04 135.9405975 25.65 138.3733978 0.02 140.8678589 0.02 147.1085968 0.02 153.9850769 0.02 164.9241180 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 694.8909 Annotation Unknow Peak:m/z Relative Intensity 196.8644409 0.77 198.1208191 0.14 201.0323639 0.67 207.2858887 0.79 208.0138245 0.09 210.0239258 0.13 210.9429169 0.13 222.2111511 0.30 233.0672913 0.15 234.1604919 2.27 235.1689148 1.01 236.1113281 0.09 242.3673248 0.20 243.8507690 0.87 245.9567261 1.09 247.0791016 0.99 249.1284637 0.95 250.2726746 0.26 251.1631927 0.51 263.1167603 1.02 264.2641907 0.21 265.4272766 0.11 275.2357788 0.19 276.2220764 0.41 278.1989746 0.56 279.3442993 0.18 284.3763733 0.67 286.1513062 37.03 287.2803955 3.17 289.1310425 0.34 291.4702148 0.87 292.2681274 1.27 293.4307861 0.20 297.1033020 0.40 298.9822388 0.09 302.9813843 2.55 304.3464355 0.92 305.2565308 0.85 306.4354553 0.17 310.4354553 0.18 312.2941284 0.11 314.5565186 0.13 316.2570190 0.55 318.1267700 0.27 320.0432739 0.32 322.4058838 0.41 323.4415894 0.23 330.9123535 0.36 332.3405457 1.03 333.2294922 0.86 337.6362305 0.35 339.8968506 0.17 342.4259033 0.08 343.2217407 0.52 349.4014893 0.42 350.2755127 0.34 351.4336548 0.16 353.1318970 0.56 355.0928345 0.30 356.2870483 0.57 358.0158081 0.31 360.2862549 10.39 361.2963867 1.28 367.0512695 0.23 378.0547485 1.84 383.3777466 0.18 385.2026367 4.02 386.2621460 0.72 391.6109009 0.64 392.6845703 0.20 396.3993530 0.90 397.0042725 0.23 399.0404053 0.09 409.2747192 0.09 410.1687622 0.88 419.5819092 0.41 425.4433594 0.86 427.3599854 0.11 428.1636963 0.17 430.3598633 1.39 431.7271118 0.09 433.1040039 0.19 436.3824463 0.07 441.1853638 0.40 443.8389893 0.42 444.4763794 0.46 447.8999634 0.35 448.9189453 0.16 452.8150635 0.09 454.4240723 1.86 455.3245239 0.36 456.2981567 0.19 459.2553101 0.41 463.5568848 0.54 467.2811279 0.84 469.1296997 0.77 470.2244873 0.35 474.7226562 1.24 481.6710815 0.26 482.5485840 0.17 485.3957520 2.09 486.2240601 0.96 487.4191895 0.28 488.2794800 0.65 490.4938965 0.20 492.0964355 0.15 495.2767944 0.26 497.1547241 7.95 498.4196167 1.62 499.1589966 0.34 500.4111328 3.45 501.3369141 0.87 506.2125854 2.71 507.0413818 1.32 511.4885864 0.19 513.6268921 0.26 515.1486206 0.27 518.3558350 2.56 519.4780273 1.76 522.0359497 0.40 525.3121338 1.44 526.4306641 0.55 528.4852905 0.32 529.6273804 0.07 531.0453491 0.55 534.5880127 0.55 538.4614868 0.91 539.9902344 0.19 543.2325439 21.84 544.1682129 3.44 544.8459473 0.07 549.0155640 0.75 549.6427002 0.10 550.7362671 0.42 552.4325562 2.76 554.1779175 0.34 555.5522461 1.47 556.7707520 2.19 558.4004517 0.21 560.4003296 0.33 564.0114746 0.47 571.3018799 0.30 571.9368286 0.43 572.9512329 0.84 576.3427124 0.90 576.9721069 0.25 578.7038574 0.62 579.3400269 1.75 580.3493652 1.67 581.2542114 1.19 584.4210815 0.21 588.0610352 17.52 588.8706665 0.88 590.4939575 0.15 591.7429810 0.74 593.9812622 9.23 594.9663086 0.12 597.1807861 0.31 598.4285278 2.60 599.5526733 1.74 600.8555908 0.80 601.6533813 0.30 602.4338379 0.36 603.4385376 0.82 604.1912842 1.92 605.4406738 0.26 613.4447632 0.16 616.7065430 0.31 619.3942261 7.35 620.3634033 3.04 621.0736694 1.47 622.1885986 0.05 624.7722778 0.15 625.7078247 0.14 626.3629761 0.79 627.4084473 0.50 630.3689575 1.10 632.5121460 5.55 634.7658691 0.11 636.3884277 4.00 637.3381958 1.46 639.1483765 0.46 641.3824463 13.20 642.0411377 6.64 642.8831787 0.44 644.3970337 0.25 646.6021118 2.93 647.4240112 1.39 649.1787720 0.05 650.5081787 54.87 651.9017334 0.89 653.4489136 0.72 655.5034180 0.89 656.4849243 1.84 657.5726929 1.25 658.3837280 0.13 659.2567749 2.28 660.7444458 3.27 661.8909302 3.31 663.8383179 2.24 664.4509277 0.43 665.7656250 2.15 666.5186157 0.42 669.2640991 0.09 672.1399536 0.49 673.9299316 0.25 676.3927002 14.15 677.3739014 15.23 678.4642944 2.52 681.3144531 1.20 682.3850708 1.33 683.3335571 1.40 685.6895142 2.54 686.3686523 17.40 687.5991821 0.37 688.7593384 0.57 690.2468872 0.33 701.9479370 0.75 702.5605469 2.97 703.4774780 0.41 709.5985107 0.34 712.2710571 0.48 713.4225464 6.14 714.2150269 1.35 715.2011108 1.04 716.0686646 0.33 717.4055786 1.44 718.4077759 1.09 721.0525513 0.07 722.3038330 0.93 726.4254761 1.16 727.4229126 0.14 729.8303833 1.07 731.4629517 0.72 732.8038940 0.57 733.5592041 1.46 734.5614624 0.70 736.6795044 0.56 741.8082886 0.16 743.1038818 0.09 746.1913452 0.26 747.4324341 0.39 749.0519409 0.30 760.2064209 0.95 762.2598267 1.11 765.3533936 2.29 766.4316406 0.36 770.4155884 6.04 771.3180542 1.49 772.7304077 0.19 775.6857910 0.49 776.7894897 0.57 778.6378784 0.61 781.3143921 0.12 783.3031006 0.79 784.6302490 0.36 788.6121216 0.36 789.2391968 0.27 790.2999878 0.34 791.0101929 0.06 792.8099976 1.40 793.6694946 2.66 794.7453613 2.57 795.6071167 0.43 796.4885864 0.48 798.4694824 0.18 799.3628540 0.30 801.5755005 1.77 804.6341553 2.78 810.9490967 0.53 811.9563599 0.92 812.6079102 0.08 815.5183105 0.08 821.0595093 0.69 821.8703003 1.05 822.4751587 0.91 825.7001343 0.32 827.0830688 0.73 828.7657471 0.24 829.5911865 0.15 831.3632812 0.28 832.9561768 0.34 833.6392212 0.33 836.9317627 2.20 839.7081299 2.74 841.5541382 1.51 842.4558105 3.81 843.1050415 8.76 846.4583130 47.93 847.5132446 16.13 848.7642822 22.98 849.5083618 1.98 850.8289185 1.24 856.2577515 0.64 859.5673218 1.03 860.7933350 0.37 866.5719604 1.04 873.6688843 0.21 874.4868774 0.34 878.4004517 0.61 881.2307739 2.78 883.4055786 16.12 884.4445190 4.99 885.8078613 1.71 890.3189087 14.82 891.2455444 1.31 896.0029297 0.30 896.8828735 0.39 899.5949097 1.95 900.4931641 1.90 901.5579224 0.37 902.2824097 0.26 903.5907593 3.23 904.6483765 1.49 906.4089966 0.11 910.1893921 0.41 910.9169922 0.42 911.6909790 0.29 913.5480957 0.17 914.4088745 0.77 915.6434937 0.35 918.5226440 0.22 922.7844849 0.36 926.5730591 0.41 929.3528442 0.29 932.6486816 0.23 933.5058594 0.10 936.2114258 0.07 938.7305298 0.31 939.3423462 0.09 941.1627808 0.26 947.6748657 1.12 948.6628418 0.21 949.8278198 0.18 953.4038696 0.16 956.8187866 0.34 957.7744141 0.09 961.3522949 2.12 963.0571289 0.54 963.8617554 0.58 968.7053833 0.10 975.6572876 0.19 980.8794556 0.12 981.5945435 0.46 986.7483521 0.36 987.6503296 0.60 990.5270386 0.06 993.4561157 0.17 997.2498169 0.45 998.1796875 1.68 999.4520874 3.58 1000.4567260 2.23 1001.4391480 0.56 1004.4780270 5.35 1005.5277710 3.57 1008.4740600 0.36 1009.6179200 0.49 1011.4906620 4.16 1012.4895630 1.70 1019.2038570 0.21 1020.9099120 0.14 1023.5537720 0.97 1028.5183110 0.37 1033.8041990 0.13 1039.6638180 0.08 1042.4311520 1.09 1043.7111820 0.38 1059.8945310 0.50 1062.2464600 0.41 1067.6635740 0.50 1068.5471190 0.21 1074.5112300 1.79 1078.3847660 1.07 1085.5629880 10.41 1086.5092770 4.80 1087.4423830 0.71 1097.0539550 0.07 1099.8100590 0.31 1103.5642090 100.00 1104.6253660 53.45 1105.5412600 0.41 1112.5443120 0.42 1113.6655270 0.71 1117.7716060 0.80 1127.1770020 0.48 1127.8120120 0.23 1136.7244870 0.33 1140.3586430 0.26 1141.5443120 0.11 1144.2473140 0.20 1153.5417480 0.87 1157.6508790 0.52 1158.5759280 0.24 1159.4489750 0.56 1168.8057860 0.77 1171.6538090 1.66 1172.5285640 0.29 1174.9691160 1.15 1175.7592770 0.32 1186.5249020 0.59 1187.7407230 0.61 1200.5485840 0.23 1203.6564940 0.28 1218.1118160 0.06 1257.1068120 0.09 1258.1940920 0.29 1284.3303220 0.04 1299.9986570 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 322.1059 Annotation S-Methyl GSH Peak:m/z Relative Intensity 96.0074768 0.10 97.0649719 0.01 104.0061264 0.03 115.8906860 0.94 123.7934418 0.07 129.9549255 0.86 131.9242249 0.06 143.9578552 3.10 147.0409546 0.04 148.9739532 0.04 153.2799683 0.01 155.0720825 0.04 157.8530273 0.01 160.2956848 0.15 160.9831848 0.44 162.6740570 0.05 164.0295258 0.02 164.9835205 0.02 176.0117035 19.24 176.8016663 0.02 188.0959778 0.02 192.9754333 100.00 195.3276215 0.05 196.4367676 0.02 204.6818542 0.07 213.0918579 0.07 214.9771423 1.08 217.6066895 0.02 233.0805054 15.33 234.0239258 0.22 240.1496582 0.05 245.0543823 0.02 247.0894470 0.01 248.0690002 0.12 251.0873108 0.05 259.1686401 0.72 271.0607910 0.02 272.3130493 0.01 275.4325256 0.02 276.1530762 0.02 278.0733337 0.69 286.0792236 1.11 289.9089355 0.12 301.7030334 0.03 303.5577698 0.79 304.2536316 5.73 305.1039429 0.97 320.1720581 0.03 322.1583252 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 528.27 Annotation Unknow Peak:m/z Relative Intensity 153.8133240 0.14 154.9614563 0.54 157.0156860 0.14 161.0472412 0.24 162.0940552 0.16 167.0563812 0.15 170.8643951 0.39 172.0036774 2.08 173.8741760 0.21 175.0495453 2.04 177.0198059 6.89 177.9631348 0.09 178.9844055 0.19 183.0851288 0.07 184.0717773 0.07 187.1368408 0.18 189.8904114 0.24 191.3129578 0.35 193.0865479 0.45 198.2512054 0.54 198.9950409 0.04 202.0105286 0.07 204.9692383 0.09 205.9278870 0.40 207.0747070 10.20 208.1696014 0.04 213.1330872 0.26 216.8985901 0.16 218.1358032 0.23 220.1958313 0.08 229.2530975 0.22 230.7307129 0.24 232.0797577 0.32 233.4312592 2.55 234.1168213 16.23 235.0773926 0.14 236.3481140 0.34 240.9505615 0.04 247.1954346 0.36 248.2219238 7.97 249.2298279 0.60 250.3360596 0.12 251.2142334 0.43 262.1618347 0.17 264.0750732 100.00 265.1572266 3.08 266.2922363 0.48 268.4078369 0.11 278.1885986 0.97 280.5851746 0.53 281.2916260 3.51 282.0576782 0.15 283.4096680 0.11 291.1740112 0.65 292.0627441 0.06 294.6560059 0.11 295.3725586 0.06 297.4067383 0.17 298.1756897 0.21 300.1843872 0.19 303.2966919 0.55 304.3226318 6.26 305.3002319 3.20 306.4583740 0.12 307.7862549 0.27 322.2431641 46.98 323.1961060 0.87 329.4463501 0.15 331.3790283 0.22 332.8480225 0.33 334.2254639 4.83 335.3184814 6.60 336.3163452 0.30 342.3754883 0.11 344.1869507 0.10 347.2818604 2.62 348.3186646 2.39 350.1594238 0.16 352.3341064 31.63 353.3810425 0.42 355.0647583 0.22 360.9824829 0.54 361.7359619 0.26 365.3092041 0.21 366.2008057 0.16 367.1437988 0.09 369.3582764 0.29 371.3309326 0.14 378.1785278 5.08 379.0795898 0.29 383.5737305 0.57 385.3176270 0.10 397.2288208 0.70 410.3677368 0.07 413.3356934 0.08 414.8038330 0.21 417.1923828 0.05 429.3270874 0.86 437.3051758 0.19 438.0891113 0.10 439.2901611 0.31 440.2551880 0.57 441.2989502 0.10 444.5144043 0.03 453.1743774 0.04 457.3034668 0.59 458.2464600 0.14 460.8112183 0.55 465.7439575 0.13 468.2196045 0.07 470.2848511 0.10 476.8275757 0.19 479.2733765 0.17 481.6301270 0.03 484.4061279 0.19 486.1974487 0.18 487.4869995 0.12 491.0006104 0.40 492.2850342 0.16 496.2789917 0.53 498.4937744 0.11 503.9380493 0.22 510.3656616 12.52 511.3395386 23.06 512.3964844 0.44 514.0458374 0.50 515.7531738 0.44 519.6582642 0.82 527.7757568 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1046.5491 Annotation Dehydrocommersonine Peak:m/z Relative Intensity 291.4698181 0.27 294.1561279 1.17 298.3193665 0.33 301.8991089 0.20 310.3305664 0.48 312.2329407 0.33 313.0603333 0.17 315.0159912 0.17 318.5685730 0.12 325.3674316 0.20 327.2220459 0.72 327.9385071 0.13 329.3995972 1.02 332.0725708 0.35 336.3403931 0.17 338.4671631 0.09 346.2388306 0.15 348.5259705 0.17 349.2835693 0.67 350.3167725 0.14 352.1026611 0.20 355.2176819 0.61 358.1231079 0.28 363.4588623 0.05 364.2488403 0.37 367.3836060 0.07 372.4470520 0.11 377.2407532 0.14 378.3459473 0.27 379.3277283 0.89 381.1574097 0.77 382.2778320 0.51 385.1799316 0.14 386.2746277 0.40 389.2476196 0.49 390.9450378 0.40 395.2405701 0.36 396.3953857 0.46 397.4751587 0.36 399.1912842 1.61 404.2346802 0.62 409.2392883 0.35 410.4774780 0.18 411.5374451 0.66 412.4480286 0.34 413.9903870 0.54 415.2064209 0.45 417.3800354 1.51 422.3067017 1.72 423.0177612 0.14 427.4450378 0.34 428.5852661 0.11 431.4032593 0.35 436.5283203 0.08 438.1678162 0.28 439.2237549 0.54 440.3920288 11.19 441.3478394 0.67 445.3160400 3.75 447.3128662 0.21 450.4129028 0.27 451.4042053 0.50 457.2293701 0.09 459.2841187 0.21 462.5317688 0.17 463.6396484 0.68 465.1962280 0.55 466.4426880 0.58 467.6456604 0.12 469.3057861 0.96 474.1421509 0.12 476.3248291 0.17 480.7709961 0.07 483.5016479 0.13 485.5554199 0.12 487.3876648 0.93 491.4379883 0.91 492.3661499 0.56 495.3598022 1.26 496.3355408 0.09 497.4508972 0.34 500.3182373 0.17 505.1921997 0.61 506.1352539 0.32 508.6583252 0.34 509.4416504 2.41 510.3827209 0.54 512.2532349 0.51 513.2305908 1.92 514.2237549 1.02 514.8439941 0.06 518.5552979 0.14 520.3161621 0.24 523.3814697 0.07 524.2645264 0.17 525.7346802 0.47 526.6491089 0.94 527.3291016 5.94 528.3157959 1.57 530.2095947 0.75 530.9099121 0.10 532.2257080 0.11 538.1453857 1.95 539.0898438 0.15 540.4627686 0.40 542.2593994 0.68 544.0901489 0.51 546.5082397 0.20 548.2879639 0.23 550.9221191 0.22 552.0214233 0.62 554.4529419 0.72 555.5955811 0.56 556.3548584 1.85 558.2199707 2.80 559.4459229 0.53 562.5513306 0.29 564.3267822 0.20 566.3927002 1.49 567.3041382 0.91 569.3359375 0.46 570.2548828 0.64 572.3806152 1.03 573.3797607 0.86 581.4121094 0.72 582.4819336 0.41 584.4179688 4.67 585.3361816 2.67 587.4200439 3.42 590.1945801 1.23 591.1521606 1.06 593.0206299 0.25 596.1381836 0.14 597.4125977 0.36 598.2741699 0.19 602.3458252 100.00 603.0024414 0.16 606.5465088 0.26 607.6219482 1.29 608.4936523 0.95 609.4162598 1.47 612.5715332 0.24 613.3294678 0.21 614.5983887 0.48 622.4785156 0.25 623.3721924 0.11 624.9992676 1.13 625.6649170 1.01 629.4371338 0.55 631.5069580 0.50 637.0052490 0.12 638.4772949 0.17 641.3353271 0.45 642.4147949 0.75 643.4204102 4.66 645.7020874 0.17 651.4338989 0.99 653.3183594 0.20 655.3009644 0.23 656.4318848 0.68 657.4213867 0.19 659.6250000 0.33 660.7720947 0.36 668.8085938 0.53 669.4276123 1.08 674.4398193 1.28 675.8107300 0.51 677.3311768 0.59 682.4084473 0.06 683.6043701 0.22 684.2858887 0.16 686.3865967 0.96 687.8553467 0.14 693.3739014 0.92 694.3609009 1.59 695.5476074 0.31 700.0553589 0.61 700.6569214 1.02 702.8238525 0.33 703.4396362 2.56 708.4363403 0.58 709.7367554 0.16 710.4645996 1.89 711.4844971 1.35 712.1848145 0.35 713.4684448 0.87 714.4197998 0.29 720.1608887 3.42 720.7889404 4.02 723.1082764 0.16 728.4385376 4.52 731.5010376 1.84 732.5136719 0.18 736.1471558 1.05 736.9638672 0.40 738.5017700 37.14 739.5415039 0.06 741.5028687 0.06 742.9432373 0.05 749.3928223 47.54 750.0158691 0.37 751.5064087 0.08 752.1677246 0.26 753.9799805 0.11 756.4284058 43.33 757.1471558 0.21 761.4423828 0.34 763.2833252 0.23 765.9169312 0.11 769.6131592 0.95 773.5252686 2.37 779.7626953 0.42 781.4571533 0.45 783.0415649 0.18 787.3005371 3.70 788.4281006 0.39 789.6398926 0.61 790.4864502 0.63 797.4553223 1.66 798.8405762 0.20 804.7919922 0.09 806.6727295 1.17 807.5274658 1.43 811.6334229 0.14 812.3609619 0.08 821.4417725 0.42 822.5579834 0.98 823.2492676 0.25 824.6733398 0.15 825.4769287 0.47 827.4404297 0.31 829.1478271 0.40 831.4030762 0.49 837.1328125 0.11 838.6336670 0.76 839.6257324 0.22 840.6165771 0.09 841.5255127 0.18 842.2891846 0.35 843.5294189 1.47 844.6507568 1.15 848.5357666 4.73 849.4595947 3.49 854.3559570 0.26 856.5306396 4.62 857.6757812 0.21 858.5947266 0.20 862.3339844 11.39 862.9614258 0.44 866.4996338 27.80 867.6285400 7.69 872.2961426 0.42 884.4552002 49.98 885.0963135 0.21 889.6710205 0.12 900.4974365 0.07 908.3294678 0.88 917.5590820 1.45 918.7570801 1.40 921.0107422 1.12 921.8481445 0.34 923.8389893 0.07 924.5856934 0.27 925.5086670 0.15 926.4685059 0.40 927.5371094 0.64 932.7995605 0.20 935.5235596 5.63 936.5422363 3.20 941.4788818 1.05 943.0576172 0.15 943.6988525 1.32 945.2329102 0.26 947.9389648 0.59 953.4785156 20.21 954.4909668 3.47 956.5922852 0.35 957.4052734 0.61 959.6541748 1.89 966.8074951 0.07 971.5852051 26.00 972.8959961 0.29 988.0057373 0.16 989.9257812 0.17 992.8859863 0.47 993.7214355 0.17 1001.6303710 0.19 1008.9545900 0.06 1010.4821780 1.88 1011.5999760 0.43 1016.9143070 0.53 1028.5081790 24.65 1029.4774170 9.41 1046.0512700 0.17 1056.1123050 0.84 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 484.1742 Annotation Unknow Peak:m/z Relative Intensity 162.9691162 14.33 176.0321960 0.95 193.0861816 7.99 205.2353821 0.08 214.9128418 0.11 232.9634094 1.43 237.8624573 0.68 258.7778931 0.28 265.9609375 0.08 289.5974426 0.05 292.2239990 0.07 304.1452026 0.72 305.1645508 0.14 307.1822510 0.49 308.2450256 0.22 322.1511841 100.00 354.8636169 5.36 355.5433960 0.18 385.3107910 0.15 395.0259094 0.87 409.3114929 0.17 446.8268433 0.31 448.1106262 0.16 451.8345642 0.32 461.8803406 0.23 466.2254333 0.38 471.8403625 0.23 472.8023987 0.27 473.6891479 0.59 474.7921753 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.2338 Annotation Unknow Peak:m/z Relative Intensity 221.2650146 0.03 254.0348206 0.04 257.0919495 0.03 293.0015259 0.06 309.3795776 0.01 311.1240234 0.13 381.7917480 0.02 401.2428589 0.07 447.4860229 0.02 448.1635742 0.14 472.2698364 0.13 473.3109131 0.05 474.2190552 0.03 487.5370483 0.16 517.2890015 100.00 518.0026245 0.23 526.6173096 0.01 527.4223022 0.05 553.5122681 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 331.1032 Annotation Prodiamine Peak:m/z Relative Intensity 96.0515442 0.68 96.9927673 2.82 98.9640656 0.58 100.9095612 13.78 105.0971222 0.39 107.1516418 1.15 108.0206909 0.25 109.0625916 0.24 109.7704315 0.64 111.2073288 0.34 111.9842529 0.23 113.0140381 13.74 114.8801346 0.75 118.6002655 0.49 120.9985962 0.41 122.9424973 3.02 124.9764862 27.09 126.9942551 100.00 131.0221252 0.07 132.0556335 0.40 137.1921692 1.11 139.1447449 1.71 141.0260010 0.96 142.9289703 5.84 144.2935486 0.28 144.9162140 2.94 149.0010681 2.52 150.9685669 31.74 153.0396118 1.99 154.8347931 1.11 159.6268311 0.35 160.8594513 16.37 162.9245605 0.90 164.9741821 5.12 167.1044617 1.88 169.0460052 44.12 175.1136017 0.23 178.3471832 0.09 181.0960083 16.83 183.2181702 0.29 185.0761414 0.60 187.0746918 0.91 190.9923096 0.09 193.1235352 60.09 195.3423157 0.16 202.9920959 37.29 205.1370239 4.11 211.0717163 21.29 223.0562134 1.02 225.0822449 0.13 228.2295532 0.30 235.0249329 6.30 241.0608215 0.40 253.0986938 12.91 267.0982056 0.32 270.5511475 1.21 271.1928101 15.38 283.0304565 0.33 285.0106201 0.12 286.4520874 0.77 289.1614990 10.97 295.1860352 0.46 301.3166504 0.25 312.3783264 2.47 313.0664673 7.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 265.154 Annotation Ethotoin Peak:m/z Relative Intensity 88.0180435 0.04 89.0218048 3.67 97.9942017 2.26 100.7689667 0.03 106.9487610 0.06 109.0762939 0.06 109.9420776 0.09 110.8633118 0.03 111.9821472 0.10 113.9445648 11.71 114.9085083 7.51 116.9419861 0.05 118.1098938 0.15 122.0777740 0.03 122.8041992 0.07 125.0219116 1.13 126.0645142 0.32 129.0431519 0.05 130.9858704 0.04 131.8817902 0.03 133.9334106 0.03 137.1031952 0.40 140.8945007 0.07 143.3198853 0.04 145.0473175 0.23 151.9929962 6.54 153.2947540 0.04 158.9853363 0.02 162.0194244 1.53 163.1076813 0.11 167.4778137 0.04 174.3362885 0.06 177.0516815 61.38 178.0695038 0.12 178.9642334 0.11 182.7564087 0.03 190.9527740 0.20 199.1346588 0.25 201.0879669 0.05 206.1593933 17.89 207.1687469 0.03 209.0718384 0.09 217.1655273 0.11 219.1903076 0.68 219.8727875 0.07 220.7957001 0.23 222.1116486 0.04 223.1538239 1.94 228.2278290 0.12 234.3127289 0.06 235.3001709 0.06 237.2811737 0.33 238.9489136 0.07 248.0983734 100.00 250.2125092 0.09 252.9570923 0.03 256.0998230 0.50 256.7657471 0.14 258.5235596 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1277.5763 Annotation Scillanoside L2 Peak:m/z Relative Intensity 467.1553650 0.68 468.1108093 0.15 481.3962402 0.05 485.5326233 0.51 486.3022461 0.13 605.7694092 0.10 629.4696655 0.45 647.5043945 3.04 648.4677734 0.67 724.5139771 0.05 767.2503052 0.24 791.5994873 0.98 792.3037109 0.22 803.3326416 0.09 809.5374756 100.00 810.5869141 21.32 818.5335693 0.14 851.5406494 0.75 852.5119629 0.33 891.5736084 0.47 892.5885010 0.05 893.9975586 0.09 900.5223389 0.05 923.6890869 0.09 924.5480957 0.09 953.9031982 0.07 1004.9931640 0.14 1131.7730710 0.17 1132.7940670 0.13 1133.7498780 0.17 1185.6242680 0.09 1203.5948490 0.07 1217.5296630 0.03 1220.0902100 0.34 1233.3737790 0.30 1246.9821780 0.07 1251.4765620 0.56 1256.1684570 0.24 1259.7458500 0.79 1260.4619140 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1141 Annotation Lactulose Peak:m/z Relative Intensity 179.1318054 0.02 293.6812439 0.02 341.1527710 100.00 387.3234558 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 542.73 Annotation Unknow Peak:m/z Relative Intensity 206.9737854 0.62 290.8611755 9.20 374.7401733 5.39 377.1158447 0.04 380.1511230 0.09 380.8870239 0.08 399.0318604 0.04 406.8635254 0.08 412.3422852 0.01 422.2865601 0.03 422.9483643 0.02 436.8221436 0.21 448.7756958 0.02 452.8748779 0.05 458.5606689 100.00 459.3344116 0.07 466.5214844 0.11 478.7680054 0.17 482.6243286 0.63 496.6758423 0.45 512.6317139 0.05 524.7506714 0.09 525.4057007 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1347.6177 Annotation Unknow Peak:m/z Relative Intensity 391.7073059 0.03 395.2821045 0.01 407.2041016 0.03 427.7154541 0.06 444.3590088 0.03 457.4826965 0.04 467.3165283 0.67 468.2140503 0.42 471.4818726 0.49 472.5372620 0.40 499.8055115 0.01 567.4847412 0.02 583.5104980 0.05 599.7764893 0.01 615.5938110 0.72 616.5001221 0.90 618.6641846 0.11 622.5542603 0.05 631.5927734 0.04 633.3904419 2.07 634.5844727 1.68 635.5878906 0.05 643.0614014 0.01 648.0404053 0.05 649.5228271 0.04 657.7132568 0.04 674.7083740 0.02 675.6679688 0.23 676.5390625 0.21 678.6018677 0.06 688.6606445 0.01 698.4956055 0.05 713.3518066 0.02 714.8084717 0.17 732.3697510 0.03 740.9341431 0.05 741.6711426 0.10 742.6511841 0.25 759.5905762 1.46 760.5820312 1.94 761.6837158 0.24 777.5388184 3.98 778.5518799 5.80 779.4724121 0.23 795.5691528 1.06 796.6461182 1.27 801.3474121 0.06 802.5155029 0.05 819.5308228 6.86 820.5134277 14.53 821.6640625 0.37 836.1967773 0.22 837.4821777 15.95 838.5024414 34.31 839.5038452 1.12 862.5397339 0.20 863.7939453 0.03 877.4127197 0.04 879.5524902 57.23 880.4503174 100.00 881.4407959 3.64 902.5257568 0.02 920.7578125 0.18 922.2525635 0.54 922.9373779 0.06 923.6926270 0.02 961.4105225 0.07 962.5008545 0.22 963.6655273 0.07 965.5909424 0.04 1024.2130130 0.08 1084.5847170 0.04 1204.2241210 0.17 1245.9221190 0.05 1246.9182130 0.02 1305.7105710 0.03 1306.6323240 0.03 1330.3940430 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 819.2331 Annotation U 77802 Peak:m/z Relative Intensity 242.0941315 0.18 244.0372925 0.05 244.8390198 0.15 247.2049561 0.41 249.3222198 0.06 257.1667480 1.18 259.2011108 0.23 260.1498718 0.10 265.2746887 0.60 275.3332825 0.25 277.3154907 0.06 284.2203979 0.17 288.7856140 0.08 291.9144287 0.07 301.2829895 1.08 305.1611328 0.08 319.0567017 0.88 320.2139893 0.33 322.6575623 0.37 323.3040771 0.23 324.2739258 0.11 331.4390259 0.23 337.0971069 1.12 338.1802979 0.17 351.1665039 0.07 356.9355164 0.21 361.1065063 1.12 362.2404175 0.33 365.2557983 0.07 366.0516357 0.13 391.4553833 0.24 407.2977905 0.08 464.2808228 0.25 483.3710327 0.39 495.1190186 0.58 499.3816528 0.08 513.1791992 7.74 514.4113770 1.67 523.1780396 1.58 523.8010864 0.23 531.1257935 0.11 541.3208008 2.40 555.8912354 0.16 556.5452881 0.40 559.1510010 1.54 560.4696655 0.61 565.3978271 0.32 566.4041138 0.11 569.3488770 0.16 583.2290649 7.07 584.3951416 1.51 585.2468872 0.10 601.2175903 20.40 602.2350464 7.88 612.3403320 0.13 615.2084351 0.17 615.8561401 0.14 625.2983398 12.48 626.2902222 3.00 629.1393433 0.36 639.5355225 0.12 643.2081909 36.26 644.2115479 9.85 657.4430542 0.09 676.4902954 0.10 694.0122681 0.55 699.3148804 1.30 700.1853638 0.10 717.2484131 5.12 718.2954712 1.40 735.1256714 7.40 736.1022949 2.24 736.7292480 0.46 759.2329712 34.46 760.2528076 14.26 760.9479370 0.19 777.2406006 100.00 778.2366333 35.65 778.8485718 0.52 804.3132935 0.70 805.2649536 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.0702 Annotation Unknow Peak:m/z Relative Intensity 111.2955322 0.02 113.0551834 2.79 114.8933945 0.06 116.8947296 3.98 123.0329590 0.01 127.1602173 0.10 128.9726257 0.45 130.9747162 0.07 138.9334869 0.06 157.0785370 0.22 165.1119690 0.08 168.9347534 0.05 172.9062805 0.16 175.0561523 1.68 183.1043091 0.03 187.1782837 0.03 189.0485992 0.15 193.1266479 0.11 205.3372803 0.12 213.1425323 0.07 231.1043396 6.35 241.0494690 0.05 249.0987854 100.00 257.0574646 0.14 267.3604736 0.04 269.6464844 0.04 273.2932129 0.04 280.3521423 0.02 281.3271484 0.06 286.2021790 0.02 289.1709900 0.06 291.2318420 0.10 307.1625671 0.85 311.3682556 0.08 319.3945007 0.02 321.2182617 0.28 323.3112183 0.15 331.2054138 0.09 349.1933594 10.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 793.4366 Annotation 3-O-alpha-L-arabinopyranosylserjanic acid 28-O-beta-D-glucopyranosyl ester Peak:m/z Relative Intensity 323.1797485 0.07 325.5137939 0.04 328.4578247 0.09 404.2052002 0.05 425.4287109 0.20 426.6554565 0.18 437.6264038 0.13 449.3158569 0.10 456.2034912 0.03 469.4103394 8.23 470.5276489 2.63 471.6783447 0.09 479.2480469 0.03 480.8073120 0.20 521.3156738 0.03 523.6694946 0.76 529.2971802 0.13 547.8590698 0.05 553.2964478 0.14 554.8303833 0.12 557.4938354 0.15 565.6183472 0.14 569.3384399 0.07 573.7346802 0.05 579.7930908 0.11 581.5297241 0.05 583.2266235 0.03 584.9508667 0.05 587.4664307 1.75 588.4634399 1.02 591.5177612 0.37 592.6593628 0.23 602.4662476 0.05 603.3795776 0.06 613.4622803 7.38 614.6524048 3.37 615.6056519 0.17 627.5704956 0.09 631.4614258 100.00 632.4657593 41.83 633.4479370 1.51 645.3812866 0.05 667.4339600 0.18 673.3134155 1.12 674.4710083 0.15 685.5288696 0.03 694.3904419 0.12 709.5911865 0.04 711.5390015 0.15 712.4777832 0.06 715.3641357 0.04 719.9657593 0.03 727.4917603 0.06 728.6290283 0.05 739.4980469 0.21 740.7027588 0.03 741.9406738 0.18 748.0065308 0.04 749.4843140 0.02 756.5842285 0.04 758.1818237 0.21 758.9092407 0.08 764.2553101 0.05 775.5010986 7.14 776.5508423 2.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 602.2 Annotation Unknow Peak:m/z Relative Intensity 178.9024200 1.12 186.9116669 0.12 188.9201965 0.12 191.0374756 0.19 193.1454773 0.09 198.1081238 0.03 201.0718079 0.05 205.1275635 0.24 206.2082977 0.09 208.1292114 0.15 211.0231018 0.04 215.0367737 0.47 227.2158966 0.04 232.4321289 0.13 233.1315613 0.87 234.7127228 0.06 238.1879425 0.04 240.0658722 0.13 244.1922455 0.14 245.1733704 0.35 247.2863770 0.70 247.9106903 0.03 253.2817078 0.08 256.3345947 0.11 257.1934509 0.11 261.3156433 0.44 262.1799927 0.05 263.4046326 0.14 266.2248535 0.10 268.1917114 1.77 269.3410034 0.29 272.1636963 0.13 273.3586731 0.14 290.2183533 0.17 291.2301331 0.08 293.4912720 0.20 294.9039307 0.83 297.2039795 0.05 298.7370911 0.05 302.0423584 0.11 303.2475586 0.24 304.4204407 0.08 305.1788940 0.23 308.1654053 21.51 311.0057678 2.86 317.4320679 0.17 318.4895020 0.10 327.3768921 0.08 330.3930054 0.11 337.1928101 0.78 341.2395630 0.83 343.0474243 0.37 344.2830811 0.09 345.0641479 0.15 348.7141724 0.23 350.1890259 0.50 351.3496094 0.20 352.9575195 0.05 353.8903198 0.14 355.1629028 1.02 356.1477051 0.08 356.9201660 0.18 365.2924805 0.06 366.4771118 0.08 368.9625854 0.06 369.9955444 1.58 388.3895264 0.04 390.7395630 0.20 391.5054932 0.15 392.1134644 0.22 392.7921753 0.25 395.4744263 0.06 401.8443604 0.28 403.2005615 0.25 406.3281860 0.19 407.0690308 0.39 407.6846924 0.08 415.2705078 100.00 416.3555908 19.57 421.7864380 0.45 422.7419434 0.18 424.3328247 0.15 425.3909302 0.06 426.2343140 0.16 427.1323242 0.24 434.1742554 0.25 436.2521973 4.91 437.2941284 2.46 438.3922729 0.34 440.0994873 23.66 442.4305420 0.16 445.3935547 0.89 448.8844604 0.08 452.2430420 0.17 454.2498169 32.87 455.1842041 7.24 455.7869873 0.04 457.9693604 0.29 459.8963623 0.47 461.1495972 0.13 462.4240723 0.39 464.4561157 0.14 467.9227905 0.31 470.1738281 2.85 471.9427490 0.29 472.5845337 0.20 473.2312622 5.39 478.8817749 0.14 481.0978394 0.26 485.2882080 0.13 486.3593140 0.19 487.4737549 0.08 488.5953979 0.08 489.2817993 0.14 495.3568115 0.27 497.7551880 0.60 500.5596924 0.32 506.4752808 0.21 507.3869019 0.13 508.3571167 0.17 510.9833984 0.32 512.3427734 0.26 513.7567749 0.24 514.4402466 0.06 516.1211548 0.07 517.5004272 0.25 518.3452148 0.22 522.2725220 0.21 523.2357178 0.11 526.3024902 0.29 527.2717896 1.17 529.2906494 0.19 530.4020386 0.34 533.7770386 0.07 534.8255615 0.11 536.1535034 0.19 537.4096069 0.08 539.0669556 0.37 542.6032104 0.43 544.0520020 0.23 548.3048096 0.06 550.5043335 0.37 553.3393555 0.42 554.1516113 0.33 555.8313599 0.04 557.4227295 0.47 559.6064453 0.07 561.9071655 0.30 562.7382202 1.99 563.5775757 0.71 564.4891968 0.17 565.4609985 0.25 566.3898926 0.36 567.2951050 0.74 568.4721069 0.11 569.6267090 0.28 571.1455688 0.33 572.2289429 3.40 573.0480957 0.18 583.3128662 1.73 584.2431030 2.18 584.9530029 0.18 585.5544434 0.05 590.3549805 1.09 592.5839233 1.92 594.4197998 1.83 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 881.4515 Annotation Unknow Peak:m/z Relative Intensity 456.0440674 0.18 577.5076294 0.05 632.9476929 0.04 637.0410767 0.06 683.6401978 0.09 718.6480713 0.24 723.4968262 0.05 778.1746216 0.11 794.2587280 0.10 795.6929321 5.37 796.6528931 4.09 819.4943237 0.36 821.7107544 0.11 837.5281372 81.93 838.5596313 100.00 839.2586060 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 853.43 Annotation Unknow Peak:m/z Relative Intensity 249.4796906 0.25 260.0113831 0.11 277.1663513 2.06 302.1823730 0.11 311.0048218 0.06 314.0142822 0.62 321.3732605 0.31 323.4003906 0.22 334.1911621 0.14 341.9078674 0.71 351.1883545 0.84 352.1696777 0.14 364.3750305 0.42 368.5905151 0.10 371.8084106 0.16 379.4801636 0.09 385.5383911 0.36 398.1944580 0.11 413.2030029 0.20 416.1702271 0.38 417.4278564 0.10 424.3630981 0.10 426.2230835 0.08 429.4577637 0.16 431.1870117 0.13 433.3909912 0.25 441.2769165 0.36 449.4266968 1.04 451.9901733 0.51 452.9304810 0.44 459.1582642 0.24 465.7306519 0.41 469.1658325 0.14 472.2669067 0.19 474.9329834 0.16 478.3948975 0.32 479.5541382 0.29 482.7059326 0.23 484.3328857 0.20 487.9900513 0.14 494.7312012 0.17 495.4427490 0.38 497.3013916 0.42 500.3239746 0.12 507.5805054 0.46 512.3768921 0.07 513.8822632 1.44 514.6309814 1.05 518.3446045 0.33 527.3427124 0.13 527.9813232 0.61 529.3693237 0.47 545.0711060 0.40 558.0772095 0.22 570.4786987 8.36 571.4531860 2.11 572.7442627 0.45 575.5275879 0.44 577.3049927 0.08 582.3046265 0.11 588.4042358 0.29 591.5767212 0.17 593.5518188 0.08 595.2975464 0.24 597.3803101 0.12 601.9918823 0.68 603.1904907 0.47 603.8032227 0.23 604.7346191 0.57 609.4958496 0.93 610.5198975 0.37 611.4279785 0.53 615.1215210 0.16 616.3110962 0.13 623.0817261 0.07 625.4224854 0.22 626.8901978 4.71 627.7067261 2.92 630.5906372 0.53 631.9279175 3.16 633.1731567 0.54 639.9830933 0.44 641.2207642 0.10 646.3001099 0.10 655.0559692 0.07 655.7958984 0.31 656.4337158 0.77 658.3383179 0.14 659.4776001 0.61 662.3759766 0.12 664.6045532 0.11 666.4089966 0.38 668.4086914 0.52 672.1622925 0.14 673.4216309 1.11 675.4306641 0.42 676.4231567 1.34 677.5264893 1.81 678.6066895 0.31 679.7804565 0.51 680.6436768 0.32 683.0470581 0.07 684.4600220 15.07 685.1146851 13.12 686.0324707 2.15 689.7194214 1.14 690.3720093 0.87 691.0215454 0.66 693.8358154 0.27 694.7003784 0.41 697.8751831 0.22 698.6688232 0.56 699.5796509 0.69 701.4966431 0.36 702.5112915 0.13 705.2976685 0.08 709.0404053 0.21 712.2850952 0.64 721.3458252 2.14 722.0380249 2.33 724.2087402 0.99 732.0781860 0.62 736.6063843 0.41 737.6750488 1.79 741.0696411 10.11 742.0692749 1.60 745.2554932 0.30 746.3645630 1.94 747.0211792 0.28 747.6237183 0.82 749.3435669 0.33 750.2969971 0.39 754.6453857 2.96 755.8063965 1.25 757.4617920 0.22 758.3765259 1.69 759.3374634 0.20 761.9172363 0.39 763.0865479 0.14 764.4570923 2.03 765.3544312 2.66 767.2130737 0.14 768.3819580 1.57 769.4790039 0.19 770.7380371 3.02 771.4719849 0.13 772.1204834 0.44 775.3292236 0.39 776.9284668 13.20 778.2095337 0.42 780.7278442 0.39 781.6575317 0.23 782.2636108 0.39 785.2542114 0.32 786.1312866 0.09 789.5741577 0.97 790.3975830 0.25 792.4985962 0.23 794.2491455 1.15 795.6657715 0.20 796.4091187 0.15 797.5507202 1.88 798.2694702 2.25 799.7287598 0.47 800.7759399 1.64 803.6078491 4.56 804.2323608 0.70 804.8754272 0.50 806.3317261 0.55 807.0348511 0.12 808.0990601 0.16 808.9190674 0.68 810.6149902 0.34 812.0972290 4.01 812.9602661 0.15 814.1564941 0.49 814.9683228 0.50 816.1853638 0.63 817.0831909 0.58 817.8818970 2.62 818.7191162 0.15 819.3795166 0.26 820.7151489 0.28 822.6478882 0.11 823.8828735 1.06 827.3103638 0.17 829.6134644 0.32 831.7402954 2.43 832.5305786 4.86 833.1551514 1.84 834.3541870 3.13 835.2571411 2.49 836.0355225 2.00 837.2134399 0.79 838.2579956 0.42 839.0716553 0.49 841.2523804 13.37 842.1524048 3.15 842.8627319 2.50 843.9128418 0.33 846.2181396 0.35 857.1959839 0.33 861.4429932 0.16 869.2965698 1.38 875.2734375 1.97 878.9508667 0.07 881.0462036 11.25 881.8905640 0.37 884.2894897 0.43 890.9970093 0.49 893.0097046 4.18 893.7426147 2.56 897.5195923 2.18 898.2485962 2.89 898.8692017 0.45 900.0364380 0.48 903.0859985 1.76 904.4607544 5.03 905.3590698 1.32 906.4229126 0.48 907.8670044 0.67 908.5216675 0.40 911.4101562 0.66 913.1875610 0.18 915.4374390 0.20 916.2275391 0.23 919.2190552 9.32 919.9020386 1.65 921.8669434 1.25 922.7890625 1.92 925.9558716 4.12 926.7729492 0.29 928.0656128 5.75 929.1001587 0.58 929.8337402 0.61 930.6112671 0.25 932.4519043 0.27 939.4564819 0.07 941.3806152 0.23 942.1103516 1.12 943.2519531 0.24 945.2045288 1.13 950.2937622 0.19 951.1073608 0.32 952.4098511 0.35 954.4538574 16.22 955.2666016 0.19 955.9885864 0.78 957.0015259 6.08 957.8325806 1.25 961.3087769 0.82 965.5439453 0.17 966.3884888 2.10 968.7850952 0.83 970.2400513 1.87 971.2828979 0.86 973.4868774 0.09 974.7272339 0.39 976.0935669 0.37 978.2838745 1.58 979.4963379 0.07 982.4967651 0.27 983.3798828 4.35 984.1184082 0.74 986.4975586 1.24 987.9467773 0.84 988.6911621 2.46 992.9602051 5.64 993.6154785 0.46 994.8743286 5.99 995.9099731 1.11 997.5275879 100.00 998.3828735 2.77 999.2826538 0.66 1000.0595700 0.64 1001.4633180 0.55 1003.8481450 0.94 1004.7907100 0.07 1006.0484010 0.64 1013.4810180 0.87 1014.5134280 0.18 1015.4540410 1.06 1016.6091920 0.31 1020.7590940 1.67 1021.4174190 2.01 1023.6069340 3.18 1025.0292970 0.85 1025.8830570 0.19 1028.6423340 1.68 1029.6229250 5.31 1030.2969970 1.27 1032.1757810 1.17 1033.3229980 1.12 1036.6823730 2.09 1037.7307130 1.05 1038.9990230 0.25 1039.9713130 0.40 1040.5881350 0.26 1041.7584230 1.43 1042.6177980 1.41 1044.9510500 0.28 1047.7363280 0.22 1050.9912110 1.76 1051.8006590 0.38 1053.7949220 1.49 1054.9819340 0.37 1057.5013430 1.21 1061.3017580 0.35 1064.0372310 1.70 1068.3695070 0.24 1073.7923580 1.37 1075.1843260 0.32 1075.9235840 0.19 1080.0656740 0.22 1080.6978760 0.45 1081.8980710 1.78 1082.8282470 0.45 1083.4602050 0.13 1084.3757320 0.65 1086.6007080 0.57 1087.3905030 0.40 1088.8233640 0.24 1089.5705570 0.10 1093.5834960 1.43 1095.9060060 0.21 1101.4963380 0.08 1102.6815190 0.33 1105.8588870 0.40 1107.9892580 0.41 1108.6765140 0.14 1114.3050540 0.63 1119.4982910 0.35 1122.6943360 0.19 1129.0780030 0.40 1133.7424320 0.39 1134.9268800 0.21 1135.8018800 0.21 1139.8079830 0.59 1141.8873290 0.14 1143.6606450 0.21 1146.0246580 1.77 1146.6984860 0.76 1147.3012700 0.60 1150.4428710 0.26 1153.9664310 0.16 1156.1813960 0.58 1158.8690190 0.09 1161.1221920 0.39 1163.5867920 0.14 1164.7416990 0.39 1165.8144530 0.23 1168.0415040 0.37 1172.8400880 0.68 1174.3028560 0.07 1175.7062990 0.43 1178.1846920 0.42 1179.6655270 1.11 1185.2565920 0.37 1193.2585450 0.72 1195.7720950 0.09 1197.8784180 0.08 1200.1688230 0.26 1202.3509520 0.67 1203.1304930 0.17 1203.7745360 0.05 1205.1988530 0.21 1217.0972900 0.24 1218.0627440 0.09 1218.7712400 0.52 1221.4663090 0.42 1227.2644040 0.59 1228.7369380 0.35 1231.5000000 0.17 1234.8477780 3.49 1236.0119630 2.02 1238.5266110 0.23 1242.5093990 0.40 1244.1269530 0.21 1250.6456300 0.05 1252.0323490 0.20 1260.8312990 0.21 1264.2515870 0.26 1267.0574950 0.45 1270.2514650 0.62 1275.0518800 0.94 1277.9304200 0.10 1278.7742920 0.17 1281.6542970 0.49 1291.2562260 2.06 1292.2453610 0.53 1295.1231690 0.60 1298.9755860 0.51 1300.1650390 0.47 1300.9720460 0.11 1310.7840580 0.26 1316.8659670 0.35 1319.9791260 0.39 1342.2352290 1.16 1346.1828610 0.39 1347.1362300 0.35 1347.9310300 0.73 1353.1861570 0.25 1357.2532960 0.81 1360.6400150 0.26 1367.1387940 0.33 1377.6322020 0.46 1383.7958980 0.32 1388.5057370 0.25 1390.0367430 0.21 1391.3177490 0.80 1392.0612790 2.86 1393.1192630 0.34 1396.2742920 0.09 1398.8751220 0.75 1414.1516110 0.23 1417.6817630 0.17 1430.3197020 0.20 1441.5802000 0.28 1476.0739750 0.80 1483.9052730 0.15 1490.6693120 0.08 1504.7485350 0.10 1505.9907230 0.60 1506.9240720 0.28 1531.0042720 0.26 1532.7984620 0.21 1553.7150880 0.20 1555.9786380 0.28 1562.1962890 0.99 1605.6740720 0.11 1606.8951420 0.25 1609.3179930 0.21 1623.8118900 1.04 1624.4725340 0.23 1695.4134520 0.33 1696.0950930 0.36 1699.9664310 0.15 1713.8885500 0.05 1734.1885990 0.15 1779.0987550 0.38 1797.8236080 0.30 1843.0466310 0.32 1865.9490970 0.12 1956.8835450 0.28 1958.2019040 0.16 1971.8697510 0.25 1972.9517820 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 429.0749 Annotation Unknow Peak:m/z Relative Intensity 128.0348511 0.14 131.1332855 0.03 158.9781494 0.18 164.0170135 0.50 165.2093811 0.04 169.0321503 0.05 171.6984711 0.04 177.0536194 0.02 179.3578491 0.14 181.9476013 0.03 197.2378845 0.07 205.2959290 0.05 207.8012543 0.06 210.9089813 0.15 218.1301117 0.04 219.8989410 1.54 221.2285461 0.09 229.2767029 0.17 231.0570374 0.08 233.2898865 0.10 247.2673645 0.09 252.1019897 0.23 256.0206299 0.13 264.0357666 8.38 266.0627441 0.38 274.2146301 0.03 282.0327148 0.24 289.8609009 0.18 291.1513062 0.30 292.1284180 0.06 302.2807007 0.21 306.0014648 0.04 307.3488159 0.04 308.1107788 0.11 309.1337280 0.19 310.3756104 0.28 313.1991577 0.10 314.3856201 0.29 329.2958374 0.05 330.3273926 0.18 331.2291565 1.50 336.1201782 0.07 338.2837524 0.08 339.0466919 0.07 341.2370605 1.54 342.5057983 0.06 343.1765747 0.06 359.0536804 0.13 361.3785706 0.14 364.9400330 0.06 366.0191956 0.45 367.6668701 0.08 369.3731384 0.10 381.2785950 0.22 382.1534729 1.42 383.1717834 100.00 385.0856628 17.51 385.9826660 0.04 387.4339905 0.10 393.2745056 0.05 394.5255737 0.10 397.5849915 0.26 398.3705139 0.21 399.4873657 0.04 400.9774475 7.82 403.2284851 0.04 410.4329529 0.41 411.2089539 0.61 414.4580078 0.08 419.3369141 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 331.1033 Annotation Prodiamine Peak:m/z Relative Intensity 95.0187454 0.08 96.1706696 0.07 97.0781174 0.96 98.8440552 0.44 100.8822174 0.72 106.8602905 0.05 111.3481522 0.11 112.9623718 1.86 119.1870880 0.15 120.0908813 0.11 121.3035812 0.16 121.9337463 0.13 123.0269165 0.77 125.0375977 4.01 127.0530624 18.32 128.9714966 0.08 130.8430786 0.21 136.9164124 0.26 139.0455933 0.67 141.0794067 0.68 143.0022888 0.88 149.0648499 0.17 151.0120850 3.07 151.9233704 0.08 152.9255066 1.89 155.0838776 0.37 158.8128967 0.14 161.0340576 6.48 163.0497589 0.13 165.0998535 3.36 167.0529175 0.28 169.0167847 23.90 172.1257935 0.12 175.0936584 0.47 177.0009766 0.38 178.9765015 0.11 181.0711365 4.33 183.0446167 2.14 184.6845703 0.19 185.3258667 0.08 187.1412048 0.10 193.0484924 6.38 194.9353638 0.60 197.1917725 0.33 198.1581726 0.63 198.8503571 0.17 202.4835358 0.83 203.0955505 10.11 204.9252777 0.07 209.2165833 0.22 211.0090942 1.71 213.0327148 0.69 214.8997192 0.10 220.3428955 0.20 222.0329285 0.14 225.1250000 0.51 233.1775513 0.21 234.6904297 0.10 240.9949646 0.39 243.2119446 0.54 253.0299377 0.30 254.1322327 0.05 257.8850403 0.12 258.6464233 0.12 259.5775452 0.16 263.3526917 0.08 270.0147400 0.46 271.1056213 100.00 282.9421082 0.19 285.1905823 2.33 286.3096924 1.07 289.0866089 52.72 291.2742310 0.25 293.2396240 0.11 293.9564209 0.36 298.1791382 0.36 299.2147217 0.22 300.3578186 0.47 301.3281555 1.16 303.1036987 0.10 312.4245605 0.17 313.2058716 0.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 408.19 Annotation Estatin B Peak:m/z Relative Intensity 122.9073792 0.21 129.0237122 0.05 133.0990601 0.06 138.9917145 0.04 149.0085449 1.65 150.1402588 0.08 154.8428345 0.05 159.5672302 0.12 161.1055908 0.24 162.0981293 0.43 162.9015503 0.49 167.0667267 4.69 172.8610687 0.13 177.0049744 0.69 180.0169983 0.51 181.0752258 3.34 182.8706055 0.13 189.0779114 0.26 193.1004486 0.47 194.9660187 0.09 200.9141998 0.23 205.1197662 0.17 207.0285034 0.21 207.9900818 0.25 211.0941315 100.00 225.9734192 0.35 227.8567200 0.15 234.8556519 0.13 244.1261597 0.45 245.0515137 0.05 246.2302856 0.54 253.4345703 0.06 262.8871765 0.05 264.7664795 0.08 270.0994568 0.07 291.2646484 0.09 293.5563354 0.08 306.0675049 0.10 308.4507446 0.46 312.0833130 0.13 317.2399292 0.69 318.2030029 0.46 320.7254639 0.16 324.0986938 0.08 330.9374390 0.23 343.0408020 0.11 345.4994507 0.13 346.1556702 0.33 349.2552490 0.28 350.1526794 0.12 351.2104187 0.12 354.2064209 0.07 359.2318420 0.51 360.5919189 0.04 362.1474915 0.56 363.4365540 0.80 364.1474915 1.97 367.8294373 0.11 370.0618286 0.09 372.3338928 1.07 372.9624634 3.84 374.0343018 0.32 375.8768616 0.11 377.4167175 0.20 389.8660583 1.51 390.5679016 0.91 392.3841858 0.22 397.8725281 0.33 398.8010559 0.18 399.4175110 0.79 400.4117737 0.69 402.1354675 0.86 403.1004028 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 514.1847 Annotation Acrimarine H Peak:m/z Relative Intensity 145.0584106 0.02 159.3101807 0.01 161.0918274 7.02 162.0423279 1.83 169.8285217 0.05 171.2559204 0.03 172.2007446 0.08 176.0220490 2.18 177.0600586 0.61 179.0538483 0.24 187.2387695 0.05 193.0202484 36.90 194.0331573 10.67 195.1161346 0.11 196.1030579 0.03 204.8716431 0.02 213.0488281 0.05 214.9199829 0.07 216.3618164 0.07 217.1435242 0.12 226.0597839 0.02 227.4456940 0.11 229.2718048 0.03 230.2151184 0.04 230.9484863 0.02 233.0714569 2.90 234.0748596 0.69 238.9733124 0.03 245.0641785 0.29 251.0564117 0.45 252.1892395 0.04 254.2312469 0.11 258.9817810 0.17 267.8935547 2.00 268.9759827 0.91 277.0904541 0.07 282.1865234 0.03 286.2338867 0.02 296.3748779 0.07 297.5349731 0.08 304.1016846 0.54 305.2556152 0.43 306.2285767 0.11 308.2072754 0.05 309.0946045 0.10 318.3503418 0.05 322.1070557 100.00 323.0987549 33.80 325.2955322 0.07 330.2586060 0.05 338.3261719 0.02 341.1577148 0.08 352.1452026 0.03 362.8242188 0.04 364.5620117 0.09 367.3458252 0.06 368.4182739 0.09 369.4756470 0.02 373.3896484 0.03 376.3374023 0.07 384.3350830 0.61 385.0219727 6.77 386.1157837 3.37 393.2886353 2.06 394.2673340 0.11 396.6689453 0.03 397.6845703 0.20 401.3835449 0.01 412.4042358 0.02 425.2465820 0.60 426.1547241 0.92 432.2039185 0.08 433.5046387 0.02 435.1646118 0.04 439.1361694 0.20 440.3221436 0.20 447.8045044 0.08 455.5322266 0.06 459.0509644 0.04 461.1840210 0.15 463.7304688 0.03 468.4351807 0.09 469.3992310 0.03 470.5626221 0.02 471.5498657 0.02 474.2096558 0.02 482.2610474 0.09 484.6798706 0.08 487.2181396 0.16 488.9627075 0.28 493.1307983 0.17 495.3438110 0.04 496.2954712 0.48 497.3515015 0.79 498.1914062 0.09 499.2035522 0.03 502.3519897 0.10 505.2619019 0.10 506.2559204 0.21 522.5314331 0.04 527.2864990 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 789.39 Annotation Unknow Peak:m/z Relative Intensity 229.3266296 0.12 251.1517944 0.23 259.0801697 0.05 272.0708923 0.06 300.3000183 0.24 325.4443359 0.16 330.2152100 0.66 338.1629028 0.08 341.0525513 0.50 343.3692322 0.27 353.0233154 0.16 357.3891602 0.06 365.5736694 0.11 369.9487305 0.12 371.4407349 0.21 383.4334106 0.24 384.2185059 0.13 397.1170044 0.13 401.2071533 0.37 408.4156494 0.08 411.3220215 0.17 412.2758179 0.50 424.2540894 0.30 429.2678223 0.53 434.2200317 0.23 442.3663940 0.13 452.1235962 1.34 454.3292847 0.27 464.1718750 0.14 470.3253174 0.99 472.2188721 0.88 479.3565063 0.08 482.3594360 1.33 488.5559692 0.12 490.0159912 0.32 500.1557617 2.15 508.6602783 0.11 510.4622803 0.15 518.3370972 0.06 523.3603516 0.91 526.1563110 0.85 529.5539551 0.18 530.5737305 0.15 535.2568359 0.56 541.5291138 0.69 543.0510864 0.31 553.2297974 0.69 554.1926880 0.13 565.4104614 0.14 566.4402466 0.04 571.3249512 16.18 576.6473999 0.07 581.1882935 1.21 582.4417725 0.19 583.4823608 0.15 597.0806885 0.15 599.3226929 0.85 608.1326904 0.49 609.3842163 0.12 621.6934204 0.27 623.8936157 0.23 625.3707886 1.45 627.1546021 0.13 629.3883057 0.48 634.7474365 0.11 640.2888184 0.36 642.2301636 5.22 642.9578247 0.07 650.3845825 0.32 652.3706665 7.51 657.2597656 0.31 658.3148804 0.06 664.2597656 0.28 670.3724365 100.00 679.2565308 0.23 689.2282104 0.44 691.5398560 0.07 692.2581177 1.01 721.3589478 0.21 739.3891602 0.47 740.3290405 0.75 745.6177368 0.11 748.7206421 0.58 754.5965576 0.39 756.7946777 0.37 757.4848633 0.66 764.5393066 0.07 768.6254272 0.36 771.3193970 3.00 772.4516602 0.19 780.1666870 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 664.8747 Annotation Unknow Peak:m/z Relative Intensity 190.9610901 0.27 197.1868439 0.20 199.2090912 0.17 200.0277557 0.39 203.1149445 0.40 207.1831055 0.51 221.2170410 1.47 225.5548859 0.20 233.2043304 0.12 234.2121582 0.09 235.1034851 0.39 237.3096771 0.13 240.1661377 0.25 245.1566467 0.16 248.9837036 0.22 253.3481445 0.32 254.3992004 0.54 258.3453369 0.35 264.1549377 0.32 269.3208008 0.39 276.2048340 0.07 286.2998047 0.18 290.4018860 0.25 298.2979126 0.16 308.0786133 0.09 309.2906189 0.15 315.3842773 0.10 316.4332886 0.27 318.1186523 0.09 324.9086304 0.20 327.4515381 0.57 329.2719116 0.14 336.1061401 0.25 337.1134338 0.08 340.1372070 0.09 341.1500854 0.24 342.0346680 0.07 350.2825317 0.68 352.2672119 0.24 354.3571777 0.19 356.4552002 0.64 357.3832397 0.11 358.3405151 0.06 363.2339478 0.40 369.1934204 0.08 371.3991089 0.34 373.3374023 0.66 374.3093872 0.18 375.2778931 0.20 376.3747559 0.09 377.4678345 0.10 383.8339233 0.08 389.4429932 0.38 391.4480591 0.28 393.4579468 0.19 401.2308350 0.10 402.4854126 0.30 405.3059692 1.60 406.3998413 0.19 407.1199341 0.44 408.4677734 0.14 409.3269043 0.30 410.0932617 0.17 411.2816162 0.32 412.2095337 0.25 413.5073853 0.08 414.3769531 0.05 415.2373657 0.20 416.2882080 0.15 418.2543335 0.36 419.3416748 0.44 431.3640137 0.61 432.7727661 0.10 435.4918213 0.63 436.4175415 0.70 441.5991211 0.14 442.4652710 0.08 443.8629150 0.40 444.5621948 0.12 445.5992432 0.14 450.1771851 0.29 458.3397827 0.26 459.2551270 0.22 466.1074219 0.09 470.4288940 2.67 471.3214111 0.34 472.3202515 0.10 473.3739014 0.29 474.5325928 0.29 478.4323120 0.05 479.1704712 0.07 484.6166992 0.28 485.3500977 0.16 488.4824219 0.55 492.1666870 0.36 498.4557495 0.21 502.4000854 1.45 503.0946045 0.07 504.4380493 0.61 506.4044189 2.59 509.2570190 0.72 513.4183960 0.77 516.4846191 0.31 518.2727661 0.23 518.9495239 0.24 524.1314087 0.12 525.0361328 0.22 528.3998413 2.51 530.0006714 0.19 530.9484863 0.58 532.2249146 0.14 533.4555054 0.63 534.5267944 0.34 535.2679443 0.81 536.5267944 0.20 538.8866577 0.24 541.1773071 0.89 543.6004639 0.96 544.7726440 0.06 545.9758911 0.43 546.7069702 0.26 547.8809204 1.13 553.2768555 0.42 553.9448853 0.16 554.9461060 4.66 556.1519165 0.39 556.7954712 0.24 558.3187256 1.20 560.1941528 0.39 561.3931274 0.09 562.3045044 0.70 563.6071777 0.20 565.9444580 0.20 568.5088501 0.22 570.9766235 1.06 571.8323364 0.16 573.8191528 1.42 574.5961304 0.05 575.3176880 0.35 576.3172607 0.57 578.3171387 0.27 582.9278564 2.62 583.9425659 0.65 584.7671509 0.60 585.6257935 0.24 587.6112671 0.92 589.2061768 2.32 591.4857788 10.10 592.3405151 0.45 593.7974243 0.09 596.4750366 3.11 597.4630737 0.40 598.5560303 0.08 601.0778198 1.18 602.0812378 0.25 605.3609619 12.36 605.9803467 1.44 607.2999878 2.15 608.5022583 1.22 610.5149536 1.70 611.3837280 0.32 612.1334839 1.40 613.0214233 0.50 615.4937134 1.31 619.6624146 1.09 620.5228271 6.12 621.3270874 0.08 623.4144897 0.16 625.4117432 94.19 626.4917603 4.31 627.9104614 0.35 629.2192993 1.56 630.3001099 0.36 631.7938843 0.63 633.9828491 0.71 634.9789429 1.71 635.5872192 0.12 637.0625610 0.98 639.0358276 1.05 641.9412231 0.94 644.5268555 0.07 646.2097168 4.96 647.1201172 7.01 648.0953979 0.39 648.9151001 0.65 649.6401978 0.21 651.4075317 0.41 652.7987061 1.72 653.4468384 0.08 654.4273682 0.66 655.9385986 8.41 656.5726929 1.28 657.6107788 0.13 658.2797241 0.21 669.4254150 0.38 676.6889038 0.51 677.5553589 0.38 681.5068970 0.05 682.7931519 0.23 683.6510620 0.50 686.6043091 2.05 687.2376099 0.07 691.5634155 0.11 692.6768188 0.13 694.0119019 0.17 695.4711914 0.21 698.4651489 0.17 702.6723022 0.29 704.4738159 100.00 705.4412231 4.62 708.1295166 0.37 710.0225220 0.68 717.6265259 0.18 718.4488525 0.12 719.5739746 0.07 720.5893555 0.53 721.2294312 0.62 722.0983276 0.86 722.9987183 0.71 724.2966309 0.70 727.8195190 0.47 728.5694580 0.29 733.2192993 0.93 738.2420044 4.07 738.8845215 1.16 739.6566772 0.58 740.6355591 0.74 744.9791870 0.10 746.4601440 0.42 751.4747925 0.24 752.4326782 0.27 753.4214478 0.48 756.6466064 0.05 757.6968384 0.92 758.3141479 0.24 759.6337280 0.26 760.4923706 0.21 761.6721802 0.09 765.4156494 1.22 768.8042603 1.38 769.6611938 0.23 771.2431030 0.75 773.0819092 0.71 774.5144653 0.70 775.6911011 1.28 777.0712280 0.47 779.4994507 0.08 780.4443970 0.10 781.8717651 0.46 784.2649536 1.26 787.4890747 0.73 788.5662231 1.02 790.7426147 0.29 791.6372681 1.00 793.2046509 1.39 793.8547974 0.93 795.4330444 0.84 799.6544800 1.43 801.4684448 3.93 802.4685669 0.23 805.1439819 3.10 805.9379272 0.04 807.2359009 0.42 808.0819702 0.06 809.1363525 1.72 810.1118164 0.29 810.9630737 0.47 811.7079468 0.05 813.1751709 0.70 815.4558105 0.51 816.1055298 0.79 817.5808716 0.23 819.1796265 0.29 819.7942505 0.24 825.6756592 0.39 828.8079224 0.09 829.5358276 1.09 830.6033325 0.37 831.6900635 0.08 834.5348511 0.42 835.4613647 0.61 836.5429688 0.33 837.3632202 0.49 839.1475220 0.62 840.2168579 0.21 842.1506958 0.48 843.2778931 0.40 844.4785156 0.32 847.5047607 0.55 852.7753296 1.21 853.6589966 0.08 854.3281860 0.08 855.8776855 0.07 858.2360229 0.39 858.9138794 0.36 860.7037964 0.79 866.0695190 0.89 868.6550293 0.32 873.4926147 0.30 874.6797485 0.10 876.5615234 0.15 878.4813843 0.16 881.7055664 0.08 883.3193359 1.22 885.4353638 0.18 886.2451782 0.42 896.6679077 0.09 898.6914673 2.74 901.7517090 0.50 906.3513184 0.64 909.4917603 0.12 910.4792480 0.24 911.7189941 0.45 913.8616333 0.15 915.6840820 0.08 916.3037109 0.08 918.9584351 0.09 922.5264282 0.97 929.8195190 0.06 937.8279419 0.88 940.9387207 0.19 943.8749390 0.19 944.7800903 0.18 945.9648438 0.35 948.4454956 0.06 963.1006470 0.68 963.7796021 0.21 966.5321655 1.03 975.6098022 0.68 985.5562134 0.17 990.9682007 0.14 996.2142944 0.17 998.2395630 0.34 999.5599976 0.10 1010.2988280 0.24 1024.1152340 0.28 1027.5212400 0.19 1030.8674320 0.14 1033.6385500 0.04 1043.3040770 0.08 1049.8825680 0.28 1056.5848390 0.12 1065.0356450 0.11 1067.8143310 0.40 1068.7988280 0.12 1078.4334720 0.07 1081.5949710 0.89 1083.8901370 0.12 1085.9594730 0.24 1094.6678470 1.21 1097.6788330 0.23 1105.6275630 0.05 1108.6542970 17.77 1109.8468020 0.19 1110.5297850 0.35 1112.7398680 0.28 1122.5058590 0.60 1143.7109380 0.28 1148.5727540 0.36 1163.6816410 0.29 1165.8659670 0.06 1166.7224120 0.10 1209.6313480 0.76 1210.7498780 0.18 1272.6558840 0.03 1285.0435790 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1389.6272 Annotation Unknow Peak:m/z Relative Intensity 407.2812500 0.08 467.1792297 0.80 468.0212708 0.02 471.5934753 0.25 485.2844238 0.02 499.4240723 0.06 513.5516357 0.02 527.9292603 0.06 555.6574097 0.03 579.6381836 0.17 584.6174316 0.05 593.7751465 0.02 597.6604614 0.05 598.3023682 0.07 615.5583496 1.90 616.5258789 0.09 633.4340820 1.31 634.5775146 0.02 649.6459961 0.02 657.8010254 0.14 669.5695801 0.06 675.5545654 0.19 677.3792114 0.02 679.7163086 0.06 699.7394409 0.03 711.5078125 0.14 713.7326050 0.09 723.6644287 0.10 729.6160889 0.04 741.6489258 0.89 742.7996826 0.02 755.7197876 0.09 759.5121460 1.10 760.6271362 0.04 775.7539673 0.01 777.6641846 2.31 778.8015137 0.05 783.7380371 0.03 795.5593872 0.36 801.5830688 0.57 802.6004639 0.04 819.4558716 8.56 820.6024170 0.44 837.4537354 10.75 838.4769897 0.60 859.3109131 0.07 861.5343628 7.28 862.5283813 0.43 877.2982788 0.02 879.4299316 41.44 880.4047241 2.12 881.0243530 0.04 903.4573975 0.04 921.3721924 100.00 922.4468994 4.09 961.5206299 0.02 963.4057617 0.28 1003.5184330 0.07 1005.5988770 0.02 1021.1984860 0.02 1065.5269780 0.02 1125.4719240 0.02 1245.5800780 0.11 1287.1333010 0.01 1329.3150630 0.01 1347.4544680 0.03 1366.2370610 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 643.2238 Annotation Unknow Peak:m/z Relative Intensity 180.9253998 0.13 194.9188080 0.02 222.5450439 0.10 223.1693268 0.41 233.1280518 0.03 251.0213623 0.17 254.2222290 0.10 263.1289673 0.14 264.3707886 0.33 268.4359741 0.11 269.8295898 0.07 272.0332642 0.09 276.3644409 0.22 280.5457764 0.15 287.8751221 0.16 303.5553589 0.03 306.1917114 1.28 307.1201477 0.40 350.2316284 0.06 353.0130615 0.05 357.3666382 0.70 370.0208130 0.28 371.3915405 0.13 373.5617676 0.23 375.2721558 0.96 378.5197754 0.14 385.4397583 0.14 387.3030396 0.07 390.1859131 0.13 391.4359131 0.04 394.1229248 0.07 398.3347168 0.04 405.1820679 21.74 417.2921753 0.91 421.2924805 0.16 424.4900513 0.04 434.5866089 16.85 435.1987915 100.00 436.9787598 0.10 454.4013672 0.06 461.2615356 0.16 463.4653931 0.64 467.3052979 0.13 468.2983398 0.24 469.4741211 0.09 471.7502441 0.13 472.8558960 0.20 478.4254150 0.13 479.3541260 0.06 480.7841187 0.07 481.5010986 0.26 496.0076294 0.12 498.1365356 0.06 499.3228760 0.10 501.9161377 0.89 503.1629639 0.30 509.3842163 0.07 510.2511597 0.26 514.4205322 0.20 520.2869263 0.14 521.9898071 0.28 526.5866089 0.06 527.2609253 0.07 528.8710327 0.12 547.3341064 0.15 553.2065430 0.14 554.2954102 0.30 555.4019165 0.78 556.3595581 0.38 557.0793457 0.39 567.1479492 26.29 568.9111938 0.08 575.5067749 0.20 578.3943481 0.27 581.7979126 0.26 583.0443726 0.11 583.7376709 0.49 589.6192017 0.10 594.2365112 0.50 596.1075439 2.31 596.7841187 23.31 598.3797607 2.37 599.4483643 0.90 600.6255493 0.12 602.3001099 0.07 605.2573853 0.17 606.4830322 0.17 607.3701782 0.48 608.3356323 0.39 611.4287109 0.07 612.5574951 0.80 620.8735962 1.46 624.1697388 2.04 625.3532715 0.79 627.9783325 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 371.0617 Annotation 2-O-Caffeoylglucarate Peak:m/z Relative Intensity 111.1230850 0.05 112.9148560 0.11 123.1455688 0.04 125.9490128 0.03 128.9542694 0.94 130.2192993 0.04 132.6085510 0.04 135.8215027 0.20 139.1734619 0.14 142.0615082 0.13 143.0608978 0.06 147.0259247 0.38 154.2936707 0.08 161.2275848 0.12 163.1249084 0.25 165.2039185 0.07 172.9144592 0.83 179.1448059 0.93 180.2120667 0.11 191.0241394 17.31 197.1907959 0.07 207.3827820 0.04 209.0799713 100.00 223.9902649 0.26 241.0935974 0.13 242.3300476 0.10 249.3356934 0.09 250.0877686 0.32 251.1410217 0.40 255.9962769 0.09 262.2285767 0.10 267.2174683 0.04 268.2929077 0.22 269.2703552 0.08 280.3408203 0.20 284.2319336 0.03 291.3027039 0.37 293.2407837 0.07 299.2925720 0.05 309.0187378 0.13 321.2908020 0.44 322.9046021 1.19 324.2174683 3.16 325.2614136 1.73 326.8177795 0.19 329.1936646 0.09 332.1146240 0.13 334.7884827 0.72 339.3070068 0.20 341.4573059 0.14 342.2260742 0.06 353.0679016 15.36 353.6949768 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 789.4486 Annotation PI(18:4(6Z,9Z,12Z,15Z)/13:0) Peak:m/z Relative Intensity 232.3455048 0.23 232.9939575 0.36 240.2623291 0.17 254.2033844 0.21 257.0787964 0.40 262.1335144 0.19 265.2380981 0.12 266.0334778 0.19 270.8661804 0.29 279.0502014 0.11 280.1391907 1.68 282.5537720 0.22 288.3828125 0.37 294.0419312 0.09 298.1598511 2.63 299.4183350 0.75 310.2498779 0.10 318.0838928 0.43 326.3456421 0.27 349.4476929 0.10 351.2784729 0.61 352.2264404 0.06 353.3879395 0.12 355.3385925 0.17 357.0048218 0.29 360.7179565 0.19 369.3150940 4.93 370.9356689 0.29 374.1513062 0.31 375.1909790 0.06 375.9241943 0.10 379.3717041 0.42 385.9859009 0.39 390.1226807 0.30 397.1825562 6.74 399.3397217 0.07 403.4692993 0.08 405.1259155 0.19 407.4167480 0.79 410.9694824 0.11 413.2369995 3.11 414.4655151 0.49 415.2973633 0.17 417.3467407 0.32 422.4194336 0.22 427.3152466 0.66 431.1196289 0.75 434.8197632 0.37 435.5874634 0.42 436.9049683 0.06 439.6083374 0.45 443.3126831 0.19 445.3470459 0.86 446.1400146 0.23 450.1777954 1.47 453.3264160 0.22 454.5239868 0.14 456.3944702 0.61 458.3124390 0.14 460.3890991 0.09 464.4871216 1.22 465.3592529 0.13 468.3623657 0.45 472.4069214 48.59 473.3197632 0.10 481.3658447 0.24 482.9711304 1.16 484.0723877 1.34 486.1985474 0.14 490.4825439 0.18 500.0606689 2.15 502.3085327 1.78 504.4513550 0.27 508.3789673 0.11 518.2079468 0.10 525.6719971 0.37 526.3479004 0.11 527.4414062 0.12 529.1652222 0.93 530.4315186 0.43 533.6132812 0.08 540.0461426 0.42 543.3026123 0.11 544.2941284 1.12 549.2771606 0.85 555.4259644 0.17 561.2973022 0.66 562.4469604 0.12 565.3541870 0.66 567.4282837 2.78 569.3267212 1.35 578.0536499 0.08 579.3669434 1.24 580.2211914 0.68 581.9617310 0.36 582.7207642 0.62 583.5649414 0.70 584.3130493 0.08 586.4154053 0.47 587.4586792 6.92 591.9214478 0.57 597.3124390 55.97 598.0110474 0.31 599.3851929 1.49 601.2882690 0.68 602.3585815 0.47 609.3709106 1.05 610.5111694 0.65 614.8298340 4.78 615.4608765 82.65 619.4403687 23.64 620.3233032 0.25 626.2732544 1.39 627.3421631 27.22 628.4086304 0.20 629.4910278 0.09 639.2825317 0.10 641.1394043 0.40 643.4071655 0.83 644.5700073 0.39 645.1747437 0.36 660.2242432 0.22 661.0720825 0.56 664.2378540 0.08 667.0689087 0.08 668.3911133 1.03 670.6218872 0.15 672.9826050 0.17 674.2952271 0.21 678.4420166 0.25 681.4096069 0.64 683.2255249 0.61 684.5759277 0.19 686.3718262 4.49 688.2457275 0.13 691.4638062 0.11 694.5858154 0.18 695.6869507 0.50 696.3591309 21.43 697.2446899 0.52 698.6656494 0.27 699.7352295 0.38 700.4782104 0.93 704.9252319 0.37 705.6231079 0.17 707.6660767 1.08 709.6616821 0.25 711.9582520 1.44 712.9239502 0.27 714.4081421 100.00 715.0260620 0.86 717.0343628 0.06 717.6884766 0.21 718.6980591 0.08 721.3848877 0.91 722.2330933 0.33 723.6210327 0.06 725.5639038 0.34 727.8168945 0.59 730.8220825 1.02 732.4786377 0.93 733.8997803 0.43 736.0964355 1.68 737.4391479 0.38 738.6906128 12.29 739.5350952 1.90 740.2255249 0.54 742.2341919 0.23 743.7844849 0.55 745.2243652 0.40 747.7870483 0.32 749.5372925 2.16 750.3547363 0.51 752.6099243 0.30 753.9834595 1.13 756.8195801 0.17 758.8451538 0.38 760.2499390 0.10 763.8082886 0.15 768.3004150 0.67 769.1254272 0.87 770.5181885 0.98 771.4451294 4.80 772.6469116 1.05 773.2705078 0.06 774.3292847 1.15 775.5859375 1.42 776.4981079 0.95 778.6503906 1.20 779.7023926 0.79 780.4455566 0.25 781.1206665 1.36 795.3567505 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 583.1509 Annotation Unknow Peak:m/z Relative Intensity 193.1739044 0.06 203.2061157 0.04 211.9230042 0.02 223.0244446 0.10 228.9868469 0.41 247.0657959 0.95 289.1330566 0.08 319.3060303 0.05 331.1031494 33.74 333.0643921 0.06 340.1863403 0.06 343.4589233 0.08 351.3378296 0.09 354.3013916 0.07 357.2343140 0.22 366.2258301 0.07 367.6338501 0.03 368.4734497 0.11 369.2258911 0.06 369.9765625 0.08 371.0202637 0.07 371.7013550 0.09 372.6644897 0.06 374.2816772 6.79 374.9360962 5.22 385.2921753 0.15 390.1172485 0.05 399.2959595 2.54 403.0968018 0.11 416.9793091 0.26 421.0390015 0.31 429.2132568 0.62 437.3464966 0.08 447.0000000 0.34 453.6242065 0.50 459.2554932 0.05 463.1224976 0.08 475.2028198 0.08 477.0592041 0.38 492.1017456 0.12 492.8252563 1.16 495.4802856 0.05 497.0784912 0.09 505.2601929 0.06 515.3068237 0.11 519.0630493 2.42 520.3087158 0.03 521.6181641 0.15 536.7750244 100.00 537.6246948 0.27 538.4325562 0.14 539.3340454 0.15 547.1958618 0.10 551.4700317 0.21 553.5085449 0.11 561.9924927 0.05 564.7372437 0.09 565.3447876 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 507.1565 Annotation Unknow Peak:m/z Relative Intensity 147.0747833 0.67 159.1030884 0.14 164.9811249 100.00 327.4764709 0.16 335.3814087 0.26 341.0429077 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 327.14 Annotation Clozapine Peak:m/z Relative Intensity 97.1760101 0.03 98.9634094 0.09 108.9008026 0.08 118.9563599 0.04 120.0232544 0.03 128.8132782 0.15 133.0559540 0.83 135.0721741 0.06 136.0778503 0.05 139.2031860 0.04 144.1463623 0.04 146.0265808 0.03 146.9042664 0.04 148.9337921 0.13 150.1217957 0.11 151.1197205 0.04 153.1146545 0.08 158.0182800 0.13 160.0654297 26.34 160.7964478 0.06 164.1792297 0.16 165.0752563 0.08 168.0554504 0.02 170.9539185 0.05 174.1345825 0.04 174.9819794 0.27 176.9847412 100.00 181.8899231 0.10 183.0634766 0.04 185.2178345 0.07 187.1817322 0.20 192.2354279 0.17 192.8928528 0.04 194.1792603 0.34 196.8968811 0.09 199.2243195 0.20 200.9854889 0.30 201.9164581 0.02 202.8034058 0.13 205.1431274 0.03 207.2677307 0.13 212.2035522 0.04 213.3320312 0.13 214.1719666 0.03 214.9587402 0.39 215.8208313 0.06 217.1982117 0.05 218.3313293 0.18 218.9442139 0.14 221.0000000 0.24 223.2570496 0.09 224.1332092 0.05 225.1021423 0.27 228.0983887 0.46 229.2056580 0.57 229.9226990 0.04 231.2203369 0.20 233.0615540 0.64 235.0198059 0.08 237.1199646 0.33 238.0955200 0.02 239.2831421 0.36 243.0046387 0.06 244.1405945 0.02 245.1093140 0.04 246.0362854 0.09 247.2623901 0.03 248.2833862 0.04 249.2779236 0.11 250.9554749 1.49 252.0914917 0.03 253.1972351 0.33 255.0749817 0.10 257.2202148 0.04 261.4222717 0.14 263.0018311 0.21 264.0901489 0.05 264.8529053 0.10 267.0161133 0.21 268.2770386 0.20 269.0247803 0.78 270.2529907 2.09 271.0572815 0.39 272.9782715 0.11 278.3472595 0.22 279.1374207 0.05 280.0418701 0.15 281.2384338 0.35 282.3416138 0.14 283.2746887 0.22 284.4484253 0.15 285.3580627 0.29 285.9983826 0.15 288.2301025 0.19 289.0338135 0.11 289.9876709 0.06 291.0578003 1.36 294.0121155 0.09 295.3156738 0.02 297.1332092 0.89 298.3276978 0.55 299.2546997 0.59 302.0927734 0.08 303.9663086 0.30 304.5935669 0.09 306.9958496 0.07 308.3946533 1.59 309.1766357 2.53 310.1854858 0.68 312.4769287 0.05 315.2773743 0.25 317.6138306 0.78 318.2533875 0.40 321.0772400 0.73 326.1444397 0.04 327.2584839 0.04 333.4422913 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.0299 Annotation Unknow Peak:m/z Relative Intensity 197.2462921 0.61 213.2316589 0.10 245.2835083 0.33 251.3878174 0.15 253.9343414 0.06 256.2176819 0.04 272.3182373 0.13 277.1293640 0.05 282.2118835 0.10 291.4470520 0.17 309.2879639 0.05 310.3455505 0.53 311.0176086 0.09 327.2173462 0.12 329.1787109 0.05 337.2346802 0.19 341.0696411 0.10 342.3054199 7.74 343.6602783 0.20 346.3624268 0.07 357.2102051 0.51 365.2277222 0.06 369.5953369 0.10 376.8085938 0.05 378.2571411 0.07 397.6307983 0.16 399.3082886 0.22 401.6327515 0.06 405.9819946 0.30 409.1422729 0.20 413.3661499 1.75 414.2803345 0.27 420.0724487 0.11 429.3455200 0.12 437.0333862 0.41 444.4017944 0.17 445.2012329 0.25 446.2675781 0.59 447.0039062 0.45 447.9080200 0.25 450.6326294 0.07 455.0220337 0.07 465.4267578 0.18 468.3720093 0.11 469.3507080 0.27 470.3608398 0.06 472.2213135 0.12 473.8957520 0.13 477.4031372 0.29 479.8706055 0.17 485.2076416 0.42 486.4686890 0.10 498.5503540 0.27 502.5297241 0.24 505.4174805 0.24 515.2173462 0.04 517.2344971 0.82 518.2738647 0.08 523.2172241 0.49 524.2659302 0.10 526.9561768 0.33 534.3692017 0.23 544.3497314 0.20 546.1990356 1.59 547.3718872 0.30 556.2232056 0.09 559.8550415 0.45 561.4573364 0.17 562.4224243 0.20 563.3769531 0.38 565.4552002 0.90 568.6857300 0.32 573.5769043 0.15 575.1691895 0.14 576.9380493 0.14 582.2183228 0.23 585.3851929 0.83 588.4724731 0.30 590.4606934 0.21 591.7886353 0.58 592.8375854 0.14 593.6057739 0.05 594.4030762 0.31 596.7914429 0.17 597.8101196 4.13 598.4582520 0.29 599.1533813 0.08 600.4194946 0.08 602.3009644 0.72 603.3535767 0.15 604.5418091 0.06 605.2931519 0.10 605.9345093 0.52 607.6688843 0.33 610.6062012 0.33 612.1307983 0.23 613.8465576 0.23 615.7960205 0.67 616.6655273 0.25 618.9125366 0.81 619.6845093 0.05 621.3569336 1.30 622.0358276 0.60 623.3107910 0.60 624.7442627 2.10 625.4248047 0.48 627.8079834 0.38 628.5803833 0.04 630.7225952 23.52 631.6421509 0.27 632.2566528 0.26 633.5260010 0.14 634.8476562 1.77 635.9426880 0.10 636.6763916 0.57 639.8316040 0.10 641.3903198 0.47 642.6896362 0.80 643.7514038 0.06 645.6444092 0.82 648.0508423 0.85 649.3196411 0.19 650.1788330 0.19 651.1419067 0.14 652.1907349 0.39 653.2114258 0.22 654.4723511 0.10 656.3558960 0.11 658.7376099 2.27 660.4199829 0.76 661.4176025 1.66 662.5355835 3.82 663.3611450 0.05 665.6098022 0.67 667.1563721 1.51 668.4567261 9.10 669.4732666 1.66 670.1060181 0.13 672.2189331 0.10 675.5568848 0.09 689.4910278 0.32 699.4457397 0.15 701.3892212 0.13 707.5789185 0.25 708.9098511 0.06 710.3311157 0.22 719.1583862 0.51 720.5356445 0.32 729.2061157 0.20 730.8109741 0.26 731.5903931 0.53 734.9610596 0.16 738.3793945 0.86 741.6357422 0.30 742.3707886 0.58 743.2821655 0.44 747.5324097 0.19 753.5836792 0.29 755.7077026 0.16 758.0881958 0.52 762.5093384 0.22 765.6779785 1.01 767.2243042 0.16 769.4498901 0.34 774.5598755 0.12 775.5670776 0.40 778.4768677 0.22 779.5211792 0.16 781.4843750 0.61 782.1884766 0.77 784.7604370 1.42 785.8684692 0.38 787.2996216 0.48 789.1775513 3.41 789.9365845 1.04 791.2693481 0.36 792.1288452 0.45 793.1223145 0.51 793.9963989 0.62 794.6768188 0.96 795.4342651 0.66 796.2315063 0.36 798.0874634 0.39 800.8885498 0.40 803.2620850 1.68 804.3002930 0.37 805.5511475 0.15 808.0087891 1.99 811.0140991 0.16 812.0592651 10.46 812.9388428 0.19 814.0648193 3.18 814.8428345 2.80 815.5578613 0.19 816.7006836 0.11 818.6360474 0.16 821.1787109 0.54 821.7859497 0.07 822.7512207 0.43 825.6597290 0.12 830.4940186 0.59 831.9026489 0.45 833.5866089 1.04 834.5067139 0.81 835.2955933 0.05 836.3679810 0.20 837.3821411 0.27 838.5237427 5.81 839.2357178 10.74 840.2454834 0.07 842.5341797 0.52 843.2489014 0.44 845.9334106 0.12 847.5596313 90.71 848.9918823 1.06 849.8049316 0.29 850.7302856 0.09 852.4881592 0.04 857.3287964 0.53 864.4672852 0.84 870.0798340 2.46 870.7953491 1.56 872.1967163 0.99 879.3917847 0.08 881.1741333 0.56 883.1508179 0.17 886.2416992 0.48 887.2814331 0.25 888.6471558 0.24 889.9755859 0.15 893.9932251 0.42 894.7691040 0.26 896.2929077 1.67 898.1560669 0.52 901.3732300 0.28 902.6299438 0.16 904.8635864 0.30 905.8474731 0.06 909.6935425 0.85 910.5371094 0.16 913.6644897 0.22 916.6398315 0.06 924.0574341 0.66 926.9479980 0.24 928.0997925 1.42 928.8940430 0.09 931.4417114 1.06 936.1125488 0.81 936.8046265 11.82 937.5189819 2.17 940.0473633 0.20 944.1012573 0.15 945.6522827 100.00 946.6950073 1.51 947.4542847 0.40 949.3164673 0.59 950.0198364 0.23 951.3333130 0.79 952.0154419 0.07 953.9722290 0.28 954.6697388 0.26 958.3234863 0.14 959.7395020 0.09 962.6499023 0.04 974.7600708 0.15 982.3646851 0.09 983.9470825 0.66 990.8012695 0.53 993.2746582 0.18 1001.4419560 0.51 1006.2780760 0.07 1011.6718140 0.24 1016.7326050 0.08 1038.8078610 0.33 1039.6076660 0.04 1056.7515870 0.19 1062.9796140 0.10 1078.9161380 0.09 1091.1586910 0.20 1092.6691890 0.04 1096.6234130 0.17 1101.0366210 0.21 1101.8303220 0.09 1148.8850100 0.14 1152.0883790 0.12 1158.5552980 0.17 1170.7410890 0.06 1176.9731450 0.31 1196.9631350 0.17 1211.8216550 0.19 1214.3413090 0.07 1216.1788330 0.21 1226.6563720 0.27 1231.6597900 0.18 1232.9683840 0.10 1233.8363040 0.16 1238.6336670 0.16 1240.7489010 0.05 1241.6716310 0.05 1249.7702640 0.17 1271.8140870 0.10 1280.0252690 0.17 1282.6273190 0.47 1290.0054930 0.39 1310.0050050 0.17 1311.4379880 0.12 1312.0531010 0.04 1336.6710210 0.11 1344.1539310 0.18 1353.9246830 0.04 1360.4476320 0.08 1377.8081050 0.21 1385.7724610 0.10 1395.2674560 0.11 1396.0963130 0.29 1418.6530760 0.14 1421.5706790 0.22 1433.8746340 0.07 1441.8050540 0.15 1459.5491940 0.08 1495.7230220 0.03 1556.9815670 0.14 1564.2239990 0.44 1588.8707280 0.13 1605.4390870 0.29 1606.8050540 0.29 1622.8161620 0.04 1623.8903810 0.08 1676.6226810 0.16 1677.7271730 0.22 1693.9588620 0.36 1695.2463380 0.08 1747.7860110 0.29 1811.4503170 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 557.164 Annotation 4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin Peak:m/z Relative Intensity 162.8474579 0.04 168.8923950 3.06 175.1245575 0.53 176.9843750 100.00 178.9786835 0.54 180.8839569 0.20 184.0892792 0.08 187.0974426 0.07 194.9220428 0.06 198.8560791 0.36 201.0892029 0.16 203.0386963 0.42 211.2554321 0.04 212.9522095 0.07 215.0657349 0.42 217.1772919 0.73 219.0521545 0.17 221.1340332 1.74 227.1116638 0.31 229.1944122 0.15 232.9705200 0.06 234.8721619 0.17 241.1382446 0.11 243.0734863 2.76 247.1988831 0.39 252.9449158 0.08 255.0462952 0.18 257.1913452 0.18 259.2238770 2.52 267.3063354 0.08 269.2974854 0.07 275.0789185 0.36 285.1235657 13.88 291.2883606 0.12 303.0859375 34.37 311.2681274 0.11 315.0509644 0.06 320.1638184 0.09 321.1066284 0.04 327.3176880 0.14 337.0112305 0.06 344.9275513 61.57 345.5903320 0.28 352.9379883 0.22 362.8873291 0.22 381.2187500 0.05 391.3472290 0.12 399.2913818 0.10 407.1751099 0.15 415.0531006 0.05 433.0844727 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 225.0615 Annotation Calcium Gluceptate Peak:m/z Relative Intensity 88.9773560 0.22 110.9676666 0.16 112.9371948 0.12 118.9199066 1.02 129.0697937 0.19 130.9268036 0.06 142.8695374 0.67 149.0343628 0.06 161.0084381 1.17 165.0783844 0.07 178.9725342 100.00 189.0243073 0.15 205.5038300 0.08 207.1652679 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 668.8153 Annotation Unknow Peak:m/z Relative Intensity 193.1896515 0.26 199.2657166 0.11 201.1177979 0.08 215.1100769 0.20 225.4805298 0.19 227.1574402 2.39 231.1029968 0.27 234.4497375 0.13 244.1976318 0.63 247.2786713 0.18 260.2835693 0.06 266.0773926 0.81 268.1491089 0.19 270.1339111 0.58 271.1521606 0.85 272.3201294 0.07 279.2147217 0.12 283.2218933 0.21 284.2823486 0.16 288.2247314 1.91 289.3649292 0.77 298.1653442 4.89 299.1787720 0.89 308.3664551 0.09 329.6098022 0.70 330.4583740 0.06 332.0905151 0.16 338.3611450 0.62 339.3292236 0.42 347.3875732 0.19 349.2807617 0.09 353.8872070 0.20 355.5194092 0.19 359.3207397 0.08 363.0155640 0.41 367.2916870 2.53 368.3660889 0.80 369.4792480 0.63 373.2418213 0.08 377.0407104 0.88 378.3812256 0.07 380.2990723 0.30 382.1426392 0.11 383.0570679 0.09 385.2979126 41.62 386.3906250 2.82 389.2041626 0.16 391.1968994 0.99 395.2037964 0.52 407.4603271 0.07 409.1630249 2.23 411.4814453 0.11 412.5598145 0.22 414.1123047 0.49 424.4230957 0.10 426.2505493 0.14 427.2708740 5.19 428.3115234 0.72 431.3446655 0.54 435.4398193 0.22 438.2951050 0.18 442.3079224 0.06 447.4559937 0.39 450.4542847 0.11 451.3158569 0.52 451.9577026 0.06 455.1986084 0.75 457.9261475 0.71 462.1903687 0.09 466.6589966 0.70 468.6006470 0.38 470.2672119 0.52 473.6049194 0.16 477.3994141 0.22 478.2990112 0.60 479.5620117 0.76 480.3389893 1.65 483.1875000 1.10 486.2791748 0.56 494.2919922 0.26 495.5762329 1.63 496.3966064 3.03 498.2612305 96.93 499.3743286 8.24 500.4949341 0.31 506.2036743 0.77 507.1408081 0.33 514.2707520 20.55 515.3812866 2.31 516.2761841 0.11 518.2644653 0.46 518.9816895 0.36 524.1643066 0.14 526.1829224 1.11 533.4357910 0.80 534.6669922 0.23 535.3341675 0.24 536.6288452 0.18 537.4879150 0.45 538.4911499 0.62 539.1035767 0.07 540.4220581 0.30 545.2542114 0.42 547.9034424 1.04 553.0076904 0.37 553.6260376 0.30 559.8300781 4.39 560.4334717 3.78 562.3297729 0.05 563.4436646 0.18 568.8945923 10.54 569.7062988 1.52 570.4851685 0.12 573.9096069 0.22 579.0573120 0.34 581.6853027 0.15 583.0414429 1.05 585.1221313 0.18 587.4484863 1.78 588.4609985 1.78 592.8186646 0.12 593.6999512 0.51 595.4104004 4.49 596.0432739 0.20 598.0278320 1.30 599.8508911 0.17 601.3912964 0.58 602.1099243 0.24 602.7278442 0.24 604.2252197 0.25 605.4464722 0.84 607.2059326 0.49 609.3002319 9.83 609.9906006 2.99 610.6416626 0.30 611.3836060 0.45 612.3063354 0.27 613.0834351 0.23 614.2696533 0.45 614.9281006 0.12 615.9821167 0.29 617.3627319 0.60 618.0825806 0.14 618.9523315 0.52 620.5819092 1.14 623.8981934 0.63 625.3131104 1.73 626.0249634 0.20 627.9191895 0.06 629.1467896 0.95 632.0017700 0.28 633.7766113 0.08 635.1499634 0.36 635.8046265 0.52 637.7127075 0.22 639.5614624 0.15 643.3143921 6.77 644.2866821 1.76 646.3971558 0.10 649.5294800 0.09 650.8744507 2.02 651.6351929 1.14 653.1082153 0.77 653.8149414 0.19 654.5180054 0.47 655.4402466 0.74 656.5381470 1.31 657.3101807 0.33 659.7319946 5.70 660.5856323 1.74 661.4750977 0.63 685.4061890 0.15 686.1308594 0.20 689.5997314 0.05 692.1644897 0.27 692.7829590 0.59 694.4097900 11.51 695.4318237 1.88 699.6323853 0.34 703.1007690 0.19 706.3158569 0.73 713.7750854 0.38 720.4722290 3.06 721.2460938 2.32 724.5846558 0.37 725.5491943 0.15 729.7327881 0.26 730.4717407 0.46 733.0828247 0.39 734.5328979 0.07 738.6648560 0.46 742.3904419 2.53 743.4122925 0.33 744.1926270 0.47 748.7235107 0.24 751.1284790 0.18 752.2394409 1.27 753.2847290 0.66 756.5231934 0.59 758.4663086 0.21 760.4703369 0.69 766.8605347 0.43 769.7550659 0.09 771.1555786 0.08 772.0745850 0.09 776.5380249 0.29 777.1778564 0.38 780.2530518 1.41 783.4415283 0.25 786.9949341 0.30 788.4047241 0.13 791.5641479 0.42 793.0326538 0.48 798.6420288 0.60 799.8937988 0.44 800.5531616 0.08 803.7496338 0.79 804.3753052 0.33 805.4722290 2.15 809.3471069 1.45 810.1424561 0.27 811.8059692 0.14 815.5526733 0.26 816.5760498 0.30 817.6759644 0.56 818.5554810 0.31 820.9512939 1.83 821.5686646 0.74 823.3524780 36.19 824.4904175 10.12 829.8681641 0.27 834.5556030 0.30 837.9729614 1.91 839.4159546 100.00 840.5331421 21.41 845.5028076 0.20 847.2221069 1.11 849.7605591 0.46 851.3391724 0.06 857.1247559 0.16 859.3244019 0.49 864.8759766 0.30 870.6544800 0.09 873.4760132 0.70 874.7122192 0.47 880.2592773 0.31 881.2559204 0.47 885.6306152 1.41 886.6630859 0.12 889.7333374 0.24 892.3493652 0.57 899.4556274 0.15 900.7463989 0.39 908.5311890 0.44 910.4513550 11.47 911.4862671 2.40 912.8655396 0.09 914.5671997 0.20 920.6984863 0.37 924.6309204 0.15 928.8146362 0.42 929.7413940 0.44 930.5637817 0.35 933.3718872 0.31 934.4664917 1.75 938.0827026 1.50 938.7400513 0.09 944.8820801 0.30 952.4689331 64.82 953.4999390 12.11 956.9113770 0.24 957.8791504 0.38 960.4648438 0.06 961.5485840 0.81 969.3750610 0.28 974.5656128 0.09 977.7793579 0.05 982.8755493 0.16 990.7783203 0.17 1007.8414920 0.13 1008.6389160 0.34 1018.3190310 0.34 1029.5258790 0.06 1031.7170410 0.29 1039.6359860 0.30 1040.5280760 0.34 1048.5954590 0.14 1049.4154050 0.84 1056.8704830 0.17 1069.6408690 0.16 1074.5622560 0.12 1104.6119380 0.17 1109.2873540 0.43 1118.3991700 0.37 1130.6669920 0.05 1136.4543460 0.67 1137.5327150 0.63 1143.4355470 0.06 1145.5954590 0.32 1146.7978520 0.23 1147.9230960 0.24 1160.8819580 0.14 1161.7972410 0.17 1174.2287600 0.05 1176.4918210 0.23 1181.9333500 0.43 1183.2729490 0.42 1217.4705810 10.89 1218.6789550 3.98 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 456.14 Annotation Unknow Peak:m/z Relative Intensity 235.0219116 12.46 260.2753601 10.37 280.4433594 5.44 306.0157166 73.64 324.0406799 100.00 324.6726685 4.63 328.3251038 1.86 348.7608337 2.48 354.0020752 4.11 355.6638184 9.78 357.4624634 5.21 367.2781372 20.38 377.8934021 8.65 380.1029968 18.08 400.5768127 11.39 406.8614807 9.11 412.9688416 5.81 449.3968811 2.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 780.7081 Annotation Unknow Peak:m/z Relative Intensity 226.1164703 0.05 231.2076569 0.11 261.1876831 1.70 263.2919006 0.07 302.5503235 0.15 315.0170288 0.25 332.1198425 0.40 333.1629333 0.12 343.1555481 0.12 349.7807007 0.53 384.9645386 0.17 386.3012695 0.14 390.1940918 0.21 397.1597290 0.23 402.9390869 0.04 411.3775635 0.18 412.5010986 0.07 414.3062134 0.75 419.9169312 0.07 426.1267700 0.20 434.2532349 0.27 442.1738281 0.31 452.6145630 0.39 461.5216064 0.55 462.1590576 0.28 469.1126709 0.27 473.5303345 0.10 479.4459839 0.11 480.3761597 0.07 483.6523438 0.13 492.1422729 0.17 513.8036499 0.19 525.3275146 0.59 540.4702759 0.57 541.3088379 0.12 543.2166748 0.11 546.1963501 0.11 547.1912231 0.07 548.4451904 0.36 549.5803833 0.33 550.4138794 0.05 553.1897583 0.40 575.1828613 0.36 576.4310913 0.22 578.5162964 0.06 591.2416382 0.97 596.3512573 0.07 600.3660278 0.15 600.9993286 0.09 606.8124390 1.48 607.5972290 0.57 608.3197632 0.35 619.4214478 0.41 621.3336792 0.07 631.9157715 0.12 633.6285400 1.06 635.2963867 0.16 639.4840698 0.68 640.6473389 0.42 641.3430176 0.24 642.6972656 2.14 643.3581543 0.17 648.1952515 0.25 651.3821411 0.21 654.6076050 0.16 656.2593384 1.95 657.5805054 0.13 658.4741821 0.12 664.8157959 0.21 669.2351074 0.12 670.7632446 4.44 672.2529907 0.23 673.6763306 0.19 678.5630493 0.39 680.4849243 0.20 681.8656616 0.37 688.5048218 1.14 689.3654175 0.05 690.5151367 0.26 691.3314819 1.00 692.4405518 0.13 694.2152710 24.54 694.8723145 4.17 695.6052856 0.12 696.2396851 0.54 697.2617188 0.41 698.0513306 0.59 698.7871704 0.22 699.5856934 0.11 701.6273804 0.11 704.6735840 0.86 706.6078491 2.49 707.3256226 1.00 708.3685913 0.14 712.1843262 0.92 713.2647095 0.33 714.5065918 0.09 715.5375977 0.70 717.1061401 0.40 718.1589355 3.31 721.3665771 4.17 722.1271973 2.17 724.2203979 0.24 727.3552246 56.84 728.5758667 0.41 729.6593628 0.28 730.4099121 0.55 731.1167603 0.20 732.0030518 0.77 733.0363159 0.17 735.1669312 0.18 736.3153687 0.38 737.0812378 0.55 737.9606323 0.08 748.8591919 0.31 749.5778198 0.44 750.4995117 0.11 752.3262939 0.64 753.6749878 0.48 756.1646729 0.05 762.1931763 4.12 763.0726318 3.11 764.0879517 0.27 764.8301392 0.55 765.5052490 0.28 768.2264404 0.52 769.3973999 0.18 770.3104858 0.81 771.1910400 18.73 772.0902710 3.93 781.7359009 0.19 793.3395386 0.04 797.3696899 0.06 800.4109497 6.29 801.3689575 3.02 802.3826294 0.97 820.5667114 0.74 831.3388062 0.07 836.3541870 0.25 844.3713379 0.16 865.7537231 0.06 868.7216187 0.09 871.5117798 0.08 883.6175537 2.46 884.6463623 1.24 885.4598999 0.07 896.6303711 0.21 897.4277954 0.07 898.6684570 0.21 901.9140015 0.34 918.6208496 0.40 925.3953247 0.17 926.5004883 1.33 929.5374146 0.53 930.5290527 1.89 931.5697632 0.04 932.5888672 0.17 933.2313843 0.08 935.5827026 0.10 940.9064941 1.91 942.1286011 0.26 944.1608276 0.06 945.9856567 0.08 956.6646118 0.20 967.4709473 0.39 975.5752563 3.68 982.7055664 0.26 984.0576782 0.05 986.0667114 0.07 996.4485474 0.70 1005.3384400 10.16 1006.2387080 2.60 1009.8500980 0.29 1022.9993290 0.48 1025.8823240 0.06 1027.2709960 0.05 1031.9543460 1.47 1032.6428220 0.08 1033.8601070 0.39 1040.9155270 47.75 1041.6496580 12.26 1043.5346680 0.51 1044.2208250 0.35 1047.1623540 0.18 1051.0546880 0.15 1053.8332520 0.29 1055.4577640 1.09 1056.1608890 1.89 1056.8110350 0.38 1057.5395510 0.59 1058.7805180 0.10 1059.6655270 0.26 1063.5051270 0.23 1076.6761470 0.40 1081.4583740 2.59 1082.2658690 2.57 1083.2268070 0.14 1090.3488770 100.00 1091.2275390 24.12 1092.2707520 0.32 1092.9948730 0.21 1096.8571780 0.15 1099.5034180 0.15 1106.4294430 0.11 1117.4826660 0.23 1127.7304690 0.19 1128.6024170 0.25 1129.9589840 0.16 1147.9157710 0.23 1160.1588130 0.09 1163.8454590 0.13 1168.6315920 0.11 1194.3883060 0.23 1198.6984860 0.16 1212.7360840 0.46 1214.1376950 0.09 1220.7343750 0.14 1227.6325680 0.19 1243.5867920 0.47 1271.6643070 0.25 1273.6414790 0.11 1283.5025630 0.08 1293.7862550 0.08 1294.6263430 0.05 1296.7073970 0.05 1300.6422120 0.09 1310.7070310 0.19 1312.4962160 0.07 1359.7076420 0.25 1360.7498780 0.35 1377.7135010 0.30 1411.2220460 0.04 1412.5561520 0.04 1540.7291260 0.06 1541.9659420 0.15 1552.7728270 0.07 1611.4859620 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 597.2175 Annotation Dendromoniliside E Peak:m/z Relative Intensity 178.9969788 0.81 180.0695190 0.57 180.9615479 0.07 192.2992249 0.04 193.9046936 0.12 195.0755005 2.78 198.2493591 0.06 209.0934906 1.16 210.1652985 0.17 225.1535950 8.24 240.1464539 0.08 249.2543030 0.04 260.0138550 0.11 266.1763000 0.05 267.3522949 0.09 271.0764771 0.06 271.9171143 0.18 279.0938416 0.07 282.1254883 0.07 289.0734863 0.19 298.2620850 0.09 312.9714355 0.06 325.0828247 0.11 327.3088989 0.09 339.0943604 0.05 340.4551392 0.08 346.1146851 0.26 346.9215698 0.14 349.3049927 0.06 361.4277344 0.05 371.1923218 0.15 372.0460815 0.42 385.3699951 0.20 387.3023682 100.00 401.3344116 0.13 405.1329956 0.11 416.9652710 1.90 417.6062012 0.03 433.0930786 0.09 435.1788940 9.42 435.8843994 0.07 453.3563232 0.21 461.2726440 0.11 463.2783813 0.40 465.2875366 0.16 476.3350830 0.10 477.2760620 0.13 479.4552612 0.23 481.6088257 0.22 491.0666504 0.03 493.4858398 0.03 501.4794312 0.04 506.4678345 0.08 509.4151001 0.33 518.4371948 0.23 522.8630981 0.06 529.6241455 0.20 536.7489624 0.15 539.4444580 0.03 540.2814941 0.14 542.4750977 0.04 545.0835571 0.24 549.2156982 22.44 550.4234619 0.81 551.3505249 0.27 552.2667236 0.13 553.4637451 0.53 559.4572754 0.24 561.2354736 0.14 562.3806763 0.33 563.3174438 0.14 567.6643677 0.49 569.1801147 0.22 574.1714478 0.17 575.2758789 0.12 579.1880493 1.29 580.4611206 0.26 582.2589111 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 631.19 Annotation cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester Peak:m/z Relative Intensity 178.9286804 0.31 209.1106415 0.28 227.3319855 0.08 233.7744751 0.03 238.7258606 0.04 254.2314453 0.02 257.0741577 0.12 291.0485229 0.07 292.9921875 0.05 299.4683228 0.09 317.1723633 3.19 335.2249146 0.47 337.3753662 0.03 351.8909912 0.08 376.1937256 0.13 379.1411133 0.66 386.2936401 0.02 405.4085083 0.05 407.1563110 1.04 409.0865479 0.24 413.1876221 0.03 430.6089478 0.06 431.5707397 0.04 433.2642212 100.00 440.4356689 0.02 445.3641968 0.05 451.0216675 6.77 454.5079346 0.05 455.5800171 0.08 463.8399658 0.04 468.8980103 0.43 469.5119019 0.01 474.9893799 0.14 482.4481201 0.13 483.2861328 0.05 486.2386475 0.05 498.3099365 0.09 499.5789795 0.11 501.4543457 0.04 506.9690552 0.07 517.4197998 0.16 537.4991455 0.04 539.2284546 0.02 541.3284912 0.06 548.2590942 0.02 553.6056519 0.03 555.3762207 0.08 569.3944702 0.36 571.1481323 1.08 582.7969360 0.09 583.4524536 0.05 587.2891235 0.04 594.6780396 0.17 596.3751221 0.06 599.3046875 0.02 600.6967773 0.29 601.6855469 0.47 612.5160522 0.22 613.2599487 0.29 621.2537231 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 288.9365 Annotation Unknow Peak:m/z Relative Intensity 86.8839874 0.02 103.0354004 0.03 114.8920898 0.61 130.9581604 2.85 146.9151611 0.57 159.0053711 9.38 174.9179077 100.00 176.0274658 0.07 183.1920624 0.03 233.0035706 0.14 234.6993408 0.07 243.1818542 0.07 245.0073242 27.12 247.3920288 0.08 261.0793457 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyisoflavone Peak:m/z Relative Intensity 77.01348877 0.59 79.35379028 0.30 80.92840576 0.28 82.7386322 0.41 84.95901489 1.04 94.89395142 1.52 97.26764679 0.95 101.0119934 0.84 102.8661041 1.52 104.9381104 0.49 108.8559418 0.71 111.135498 0.59 121.17276 0.28 123.1702728 1.75 124.9103699 1.68 126.9401093 1.35 128.8937683 11.44 129.9636078 0.77 130.9726715 0.32 133.0218658 0.34 140.978714 1.81 147.0859985 0.69 149.0174408 0.60 150.9551239 100.00 152.0184021 2.80 154.1994781 0.92 155.0951233 0.37 157.0849457 0.55 161.0957184 1.14 163.1005096 1.43 163.8553925 0.88 164.9745331 0.82 166.0418549 0.99 166.9784698 4.16 169.2206421 1.79 171.0456543 0.38 174.9501801 0.20 178.9591217 6.54 182.5944824 2.56 185.1014709 4.25 191.0142059 0.81 193.1818085 0.45 194.0814514 0.79 197.1417694 6.63 197.9000397 0.82 206.3007812 0.81 207.0906677 1.49 208.2360992 0.20 210.1470795 1.53 211.0903778 3.41 217.2906342 2.52 224.9989929 11.17 235.1422272 17.37 238.1315155 17.31 238.8980713 0.61 253.0765991 86.89 254.0753174 3.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 193.09 Annotation cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene Peak:m/z Relative Intensity 105.1680603 0.08 108.7540436 0.05 114.8803864 0.08 116.9500885 0.03 131.0276642 0.02 132.0095367 0.03 132.9717407 1.26 135.0814972 0.01 137.0940399 0.05 143.0138245 0.02 146.8412781 0.12 148.7090149 0.01 150.1816254 0.01 150.9380646 0.04 151.8537292 0.02 157.0119171 0.02 160.9700928 100.00 164.3485718 0.05 165.0667572 0.19 175.0526276 0.35 177.9522400 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 531.2004 Annotation Eriosemaone C Peak:m/z Relative Intensity 157.8522797 0.16 162.1442261 0.07 165.0953217 0.06 166.2502899 0.03 178.9055939 9.36 179.5099640 0.05 185.8592377 0.06 188.0291290 2.71 193.1491852 0.55 194.4786987 0.04 198.6405334 0.02 205.0057678 0.11 207.1663818 0.16 209.1270752 0.22 213.1381531 0.06 214.9061890 0.06 216.0513306 0.13 217.0558319 0.07 233.1681366 0.81 234.0433044 4.71 235.3512268 0.22 245.2525787 0.08 247.1162567 0.05 248.1733398 0.09 249.2028198 0.26 251.1131592 100.00 253.5853424 0.12 256.1558838 0.13 262.8455505 0.12 266.4134827 0.02 268.3939209 0.09 272.2285156 0.06 279.7185059 0.09 281.0112305 2.98 282.0618286 3.23 283.9722900 0.15 285.2201538 0.06 286.1026001 0.03 287.1610107 0.06 290.3300171 0.04 294.3235779 0.08 299.9962769 0.10 307.0213623 0.05 309.3189087 0.25 311.4127808 0.07 318.1144409 0.11 337.2131348 0.59 341.0679932 0.37 343.2271729 0.04 344.2167969 0.10 348.1616211 0.03 354.2609253 0.10 355.3102417 0.16 358.1602783 0.20 365.4053345 0.14 367.2071533 0.28 369.1561890 0.80 372.2384033 0.04 376.1862793 0.07 377.3579102 0.19 379.3356323 0.18 384.1691284 0.48 386.2772827 0.22 387.2077637 0.16 388.4523315 0.24 402.0252075 3.03 411.1602173 8.51 414.4499512 0.08 417.5194092 0.04 427.6907349 0.14 428.3151855 0.15 431.3480225 0.20 435.4131470 0.08 441.2890625 0.15 450.2828979 0.11 455.0354004 0.05 478.2033691 0.08 480.1731567 0.08 487.5310669 0.04 492.6257935 0.17 495.1200562 0.27 498.4218140 0.23 499.3667603 0.51 504.3030396 0.12 507.3392944 0.14 513.1503296 8.45 514.2640991 0.35 522.2036743 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 193.0856 Annotation cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene Peak:m/z Relative Intensity 59.1890488 0.02 80.9279938 0.01 91.0030289 0.02 104.9509735 0.07 111.0657959 0.03 114.7640381 0.02 117.0063324 0.01 120.8201447 0.02 122.9590607 0.01 125.0114441 0.01 133.0499115 0.90 137.1377411 0.02 147.0510101 0.06 149.1302032 0.04 149.9838409 0.02 156.9786530 0.03 160.9733734 100.00 161.7562714 0.01 162.8992157 0.02 165.0020752 0.12 172.1319580 0.04 174.9841614 0.07 176.1818542 0.01 177.8834229 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 736.4299 Annotation Unknow Peak:m/z Relative Intensity 217.1245728 0.06 221.2854767 0.35 223.0376892 0.03 225.2461853 0.04 229.8862305 0.18 235.2944794 0.06 243.3422852 0.08 246.8185120 0.14 249.2228546 0.09 250.1266479 0.04 257.3815613 0.15 261.2481079 0.23 265.1911926 0.24 275.2667236 0.14 283.1268921 0.30 285.2653503 0.23 287.0623169 0.47 293.1011353 0.09 295.1697998 0.13 297.1738892 0.10 298.6029968 0.13 301.2543640 0.05 303.4440918 0.08 304.8337708 0.06 305.4453125 0.04 308.8828125 0.44 309.4965820 0.32 311.2340088 0.06 316.3970642 0.09 318.1944275 0.06 325.2189941 0.06 327.3244019 0.36 331.1359863 0.59 332.0007019 0.09 347.1878052 0.11 349.0800171 1.33 353.4002075 0.16 362.3523560 0.04 364.8612671 0.04 375.1893921 0.86 382.3084717 0.04 388.8765869 0.14 391.2617798 0.10 393.1958618 1.34 395.3073120 0.07 398.0139160 0.15 401.2449951 0.10 402.4235229 0.13 408.6299438 0.04 411.1544189 0.43 415.2339478 0.16 417.4195557 0.40 419.3991699 0.34 420.9487915 0.08 427.0847168 0.07 435.3327026 0.07 437.2341919 2.08 440.5213013 0.25 445.5083008 0.09 455.1837158 0.10 459.1852417 0.07 463.3572388 0.16 472.1926880 0.07 481.1824341 1.56 483.5203857 0.05 485.3123169 0.06 488.9230347 0.15 490.0735474 0.28 490.9749146 0.20 498.6794434 0.03 499.4323730 0.22 501.4700928 0.05 507.4620972 0.23 508.6112061 0.04 510.4070435 0.06 513.8399658 0.07 525.3228760 1.67 526.4088745 0.10 527.1446533 0.16 529.0189209 0.16 530.6118164 0.14 531.3684692 0.04 535.0312500 0.04 538.2645874 0.11 540.3036499 0.18 543.1900635 0.37 543.9538574 0.19 549.5644531 0.12 551.2391968 0.14 552.2755737 0.07 558.9236450 0.15 559.8955688 0.13 561.5522461 0.04 564.6335449 0.15 566.8859253 0.28 569.3140259 1.22 570.3779907 0.25 571.6947632 0.18 574.7598267 0.37 577.9509888 0.71 579.6253662 0.17 584.3460693 0.25 585.1257324 0.06 586.1791382 0.34 587.4083862 1.05 588.6183472 0.05 589.7711182 0.21 591.5585938 0.06 593.3682251 0.33 599.5900269 0.09 603.1958618 0.23 603.9913330 0.10 605.3588257 0.28 609.0738525 0.22 609.7269287 0.07 613.2683716 1.68 615.4406738 0.04 617.0613403 0.25 618.0254517 0.04 619.4735718 0.10 620.1951294 0.35 623.2200317 0.25 625.6997681 0.07 626.4354858 0.08 627.3562622 0.18 629.4548950 0.10 631.3765259 1.82 632.7139282 0.51 633.4046021 0.27 638.4699097 0.10 639.5742798 0.08 642.6572266 0.13 646.7883911 0.04 647.5006104 0.53 654.1450806 0.81 655.7077026 0.67 656.8407593 0.31 657.4559937 0.05 659.9511719 0.18 660.8132935 0.09 662.5819702 0.36 665.2920532 0.14 666.6954956 0.15 668.3401489 1.75 669.5599976 0.62 670.4374390 0.11 674.9426880 1.30 675.5639038 2.30 676.2926025 0.11 676.9238281 0.15 682.8419800 0.46 684.3179321 0.21 687.5508423 0.49 688.5690918 0.18 690.2976074 0.07 691.5742798 0.14 694.4807129 0.41 695.2042236 0.09 697.5392456 0.05 700.1143188 0.70 701.4409790 2.15 702.2113647 0.31 704.9323120 1.41 707.0758667 0.08 708.3981934 0.20 710.2713623 0.22 712.3532104 0.30 713.0650024 0.25 714.0488892 0.33 715.0846558 0.06 717.4519043 0.48 719.2927856 100.00 720.0942993 0.15 721.9033813 1.06 723.5777588 0.30 724.3501587 0.42 725.7228394 0.28 726.7526245 0.18 728.8164062 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 577.1157 Annotation Unknow Peak:m/z Relative Intensity 162.1277008 0.04 167.2492065 0.32 177.0300293 0.29 178.9092102 0.09 185.0280151 0.27 186.9431152 0.48 191.2079468 0.15 198.9598389 0.06 200.7592468 0.10 203.0558014 0.11 209.1044159 0.32 209.8686523 0.12 214.4685364 0.13 216.0121918 0.17 217.2586823 0.55 226.2586670 0.15 228.2110291 0.13 233.1032867 0.06 236.3865356 0.10 241.3222961 0.12 245.0886078 0.08 254.1271973 0.05 255.1051788 0.19 257.1494751 0.22 260.3085938 0.19 268.9967041 0.35 300.3181763 0.13 304.4976196 0.08 308.1108398 2.85 309.1846619 0.56 311.1865845 0.09 314.2919006 0.11 316.0889893 0.33 319.3800049 0.12 320.2807617 0.13 327.1018066 0.04 329.1011963 0.07 330.0508423 0.11 331.7077026 0.22 333.2574463 0.04 334.8865356 0.10 343.3950195 0.99 344.0576172 0.05 345.4863281 0.15 346.8150024 0.15 348.0776978 0.39 349.2211914 0.22 354.4932251 0.19 355.3463135 0.08 357.5516968 0.06 360.1691895 0.09 361.7846680 0.43 366.4758301 0.06 370.5450439 0.34 371.3248901 1.14 372.3361816 0.19 374.4210815 0.28 377.1621704 0.41 378.3905029 0.08 384.1896973 0.04 387.3248901 0.30 388.1070557 0.17 389.2914429 0.18 397.1802979 0.32 399.8403320 0.13 406.0583496 0.04 408.0895386 0.37 409.2194824 0.16 411.2756348 0.12 413.4027100 0.15 415.1301270 100.00 416.2661743 0.06 419.1739502 0.36 421.4541016 0.07 422.9523315 0.09 426.3382568 1.07 427.3518677 0.06 428.2293091 0.56 429.3392944 0.63 430.7725220 0.66 432.0782471 0.17 435.3939819 0.27 440.2456665 0.21 441.4905396 0.07 442.9675903 0.13 444.2427368 0.37 447.2967529 0.24 454.3757324 0.22 455.2199707 0.04 456.0095215 0.56 457.1427002 0.21 458.4269409 0.54 459.0924072 0.26 460.3143921 0.25 461.3145142 0.06 465.1500854 0.66 468.9468384 0.11 470.3577881 0.04 472.0583496 0.09 473.1163330 0.12 474.1125488 0.41 475.7581177 0.16 478.2866821 0.19 482.7622070 0.08 483.3721924 0.05 484.5848999 0.45 485.1853027 0.56 487.2328491 1.01 498.3164062 0.09 499.0408936 0.56 500.7281494 0.39 502.7456055 0.95 503.9603882 0.45 504.5864258 0.24 505.4008789 0.21 506.1562500 0.09 508.1513672 0.13 509.6578979 3.01 510.3528442 2.76 511.3276978 0.54 512.3406372 0.19 513.1128540 0.24 515.5073853 0.24 516.2445679 0.06 517.4992065 0.19 518.2341309 0.12 520.5938110 0.46 523.0454712 0.19 524.1814575 0.09 525.2086792 0.90 527.3159180 0.49 531.3684692 0.44 532.1615601 0.36 534.0966187 0.46 535.5133057 0.31 538.3865967 0.13 540.3600464 1.64 541.3484497 0.72 544.0864258 0.42 545.7136841 0.60 546.4970093 0.08 548.3064575 0.03 550.4730835 0.13 552.1754761 0.74 553.0317383 0.06 555.4869995 0.54 558.1865845 2.56 559.3374634 1.04 560.7847290 0.25 561.9003296 0.37 563.4018555 0.25 565.3079224 0.29 567.7323608 0.61 568.7269897 0.47 569.3880615 0.49 573.2584839 0.04 582.1173706 0.13 589.1342163 2.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 725.8538 Annotation Unknow Peak:m/z Relative Intensity 209.0764008 0.28 212.3979340 0.08 227.0419617 0.06 240.1291351 0.65 241.3811646 0.10 242.1713867 0.39 246.3607330 0.17 251.8645325 0.06 259.4826355 0.14 270.1661682 0.54 271.3242798 0.13 272.3611450 0.17 279.3450317 0.27 280.0251465 0.24 281.3162842 0.18 298.1799011 14.14 299.1032715 3.37 300.1934814 0.20 306.2999268 0.22 329.3549805 8.67 330.3591309 0.98 341.3392944 0.38 341.9448242 0.17 349.0164490 0.76 350.0446167 0.43 350.7683411 0.45 359.0714722 0.46 369.2626343 17.29 370.1516113 2.24 375.0108032 0.11 377.0515137 4.96 378.1697998 1.06 380.1866455 0.28 384.4157715 0.28 399.4613037 0.29 404.2213745 0.08 410.3486328 0.16 420.1012573 4.84 420.9657593 1.44 421.9072266 0.52 423.0580444 0.16 427.2228394 0.20 429.1300049 0.49 439.1321411 0.28 440.2074585 0.14 441.3869019 0.33 444.4823608 0.12 448.1973267 28.65 449.2987671 6.03 450.3668823 0.50 458.3272705 3.13 459.3823242 1.37 460.3577881 0.20 462.9652100 0.31 466.2870483 0.60 468.8409424 0.18 482.8832397 0.07 494.2774658 0.44 500.3195190 0.18 501.2968750 0.20 511.3136597 0.10 513.4255371 0.41 528.3595581 0.71 529.5947876 0.22 534.2197876 0.09 538.3184204 0.87 549.0003052 1.17 550.3552856 0.07 559.4353638 6.09 560.4694214 1.02 561.6341553 0.45 563.1369629 0.34 564.0464478 1.32 568.1227417 1.57 569.2463379 1.92 572.8464355 0.39 577.3085938 70.68 578.0964966 28.58 579.1317749 2.02 579.9168091 0.51 580.9315796 0.55 585.1644897 0.18 585.8102417 0.42 589.3885498 0.16 595.2801514 2.18 597.2197876 0.15 599.4953613 0.74 604.2581787 2.78 605.2528687 0.89 607.2682495 0.57 613.0850220 24.10 614.1257935 2.66 615.1019897 0.33 616.2649536 0.08 623.5863647 0.33 624.5452271 0.19 625.3244019 0.06 634.4902954 0.51 635.4153442 0.55 637.4683228 0.27 639.3987427 0.44 644.7959595 0.35 647.0433960 0.25 649.5813599 0.16 652.7909546 0.08 657.4293213 1.45 658.5039062 0.19 660.0621338 0.17 664.5127563 0.55 670.5267944 0.38 673.8447876 0.19 674.4857178 0.69 675.7769775 1.08 677.2066040 0.35 688.5275269 3.83 689.5492554 0.49 690.5380859 0.70 693.3737183 0.18 696.3612671 0.31 699.3773804 0.36 700.7529907 0.95 701.6262817 1.15 702.7044067 0.37 707.9964600 7.21 708.7047729 2.42 709.6719360 0.53 717.5068970 0.62 718.3723755 0.24 745.2593994 1.02 746.6410522 0.34 747.4238892 0.47 759.3809814 0.71 760.6184082 0.29 781.3250122 0.27 785.8444824 0.92 787.9063110 0.12 789.3235474 0.18 808.4788818 0.44 813.6727905 1.21 815.9673462 2.17 816.9730835 1.26 825.6482544 0.76 826.5571899 0.34 832.9817505 1.60 838.2384644 2.47 839.2421265 0.11 839.8554077 0.31 842.4960327 1.01 849.1730347 0.31 851.5693970 0.26 856.5674438 100.00 857.5986938 41.70 858.6407471 5.39 874.2601929 4.54 875.2333374 1.18 891.2830200 1.01 892.1497192 0.38 892.9786987 0.51 896.5056152 0.61 917.2102661 0.18 922.4495239 0.07 938.3063965 0.87 939.6838379 0.94 950.5668945 0.42 957.2753296 1.10 958.1293335 0.08 967.3716431 2.06 968.5383911 0.14 975.5985718 0.90 976.3347168 1.16 977.5078125 0.47 985.6096802 27.56 986.6733398 9.53 987.6301880 2.87 993.7053833 0.12 1007.7291870 0.18 1038.9772950 0.06 1056.4599610 1.60 1057.6597900 1.45 1058.5484620 0.33 1061.2634280 0.33 1063.8909910 0.12 1068.6000980 0.97 1069.3547360 0.54 1073.7561040 0.08 1074.4670410 0.79 1076.9423830 0.22 1082.6485600 0.09 1086.2619630 2.08 1087.4252930 0.99 1088.5588380 1.57 1104.5777590 2.62 1105.4703370 1.47 1122.4091800 0.60 1123.6286620 0.21 1137.7988280 0.32 1153.5286870 8.29 1154.5881350 4.06 1155.7834470 0.59 1196.3142090 0.15 1200.8790280 0.53 1224.6905520 0.76 1225.6951900 1.71 1226.9829100 0.33 1254.6286620 0.10 1272.0062260 0.60 1272.8840330 0.40 1291.5458980 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 661.0222 Annotation Unknow Peak:m/z Relative Intensity 189.1070709 0.04 192.8567200 0.06 197.1424103 0.04 199.1208038 0.44 202.3079224 0.04 203.0207214 0.14 216.9996185 0.16 221.2334137 0.08 227.2686615 0.23 229.2035980 0.10 244.1133118 0.07 247.1656799 4.51 248.1183167 0.10 251.4741211 0.18 254.0450592 0.09 258.2064514 0.45 261.3924561 0.13 271.0304565 0.18 272.3861694 0.11 275.1844788 0.66 281.9608765 0.10 286.0281067 0.08 298.5419922 0.11 300.3486938 0.06 310.1279907 0.05 311.4093018 2.42 312.2875671 0.11 313.1729431 0.15 315.2334595 0.09 324.2546997 0.07 325.3097229 0.06 328.4066772 0.11 339.2915039 0.18 341.0876465 0.21 343.3075562 0.18 346.1756592 0.81 351.3723145 0.44 353.5935669 0.26 358.2713013 0.28 362.3316040 0.06 366.6975708 0.23 369.2442017 0.19 371.2955322 0.17 373.4522705 0.21 378.6088867 0.10 387.4856567 0.27 389.5950317 0.19 397.4685059 0.06 398.4822388 0.04 399.2483521 0.20 405.1211548 0.06 413.2882690 0.04 415.6634521 0.15 417.4816284 0.21 418.5150757 0.30 426.1193237 0.08 429.3397217 0.05 435.5652466 0.06 447.3228760 0.17 452.2729492 0.06 454.2588501 0.36 455.4771729 0.31 456.7724609 0.48 460.0610352 0.38 462.0583496 0.14 471.2145386 0.11 474.8953857 0.09 477.6271973 0.29 481.1411133 0.33 482.2333984 0.39 486.3369141 0.15 486.9373779 0.13 487.6975098 0.04 489.2179565 0.11 490.6065674 0.15 498.0620728 0.16 498.6923828 0.30 499.7823486 0.42 500.4341431 0.24 506.4356079 0.14 507.3806763 0.26 511.2510376 0.13 512.4608154 0.16 514.4690552 0.45 519.4035034 0.16 522.5512695 0.39 523.3046265 0.59 527.2937012 0.29 528.4143677 0.45 529.3104248 0.17 531.1144409 0.53 532.1776733 0.73 534.5040894 0.05 538.5894775 0.16 543.4406128 0.13 545.4843140 0.09 549.6697388 0.82 550.3433228 0.02 551.0966797 0.13 553.9816284 0.54 555.1915894 0.34 556.2203979 0.14 557.3969727 0.14 561.5367432 0.17 568.3489380 1.00 569.9744263 1.72 570.9962769 0.96 572.1448364 0.73 573.3226318 7.95 575.0838623 0.57 576.2152100 0.52 577.5829468 0.36 579.1521606 10.56 580.6752319 0.57 581.9359741 0.27 583.4067993 0.59 584.2768555 0.38 586.5400391 0.26 588.0803223 0.31 588.9551392 0.77 591.7340698 0.84 592.8912964 0.32 593.7467651 0.70 594.5281372 0.54 597.0862427 2.84 598.5567627 10.07 599.3164673 2.49 600.1415405 4.03 600.9068604 0.59 601.9827271 0.45 603.0057983 4.20 604.6607666 3.15 605.6546021 1.58 606.2767944 30.58 607.6680908 1.42 608.6298828 0.71 609.3117065 0.50 612.2421875 34.35 613.6830444 0.79 614.4378052 0.67 615.0970459 0.21 616.1743164 0.09 617.1452637 0.87 618.3305054 0.71 620.1820068 0.25 621.5158081 1.08 622.1491699 0.38 623.1735840 1.33 624.1895752 2.39 625.2996216 0.82 627.0404053 0.46 628.3369751 0.44 629.3508911 0.06 631.7515259 0.64 632.6682739 0.29 636.6603394 0.62 637.7423096 0.22 638.9140625 0.90 639.7877808 0.55 640.9942627 2.13 642.6758423 3.54 643.6349487 1.81 644.2617798 1.02 645.4363403 0.93 646.2693481 0.17 647.3917847 0.06 648.2515259 0.11 649.2677612 10.04 650.0112305 1.62 651.8551025 2.30 652.8141479 1.64 668.3952637 0.54 672.2045288 0.23 674.8245239 0.45 678.2129517 0.62 679.9357300 0.28 682.6906128 0.06 684.9752808 0.21 686.7260132 0.11 689.3179932 0.46 697.2239380 0.20 697.9467773 0.10 698.6369019 0.12 699.8165894 0.14 703.2176514 0.11 705.1278687 0.65 707.2311401 0.17 714.1797485 0.21 717.0059814 0.39 717.7412109 0.16 720.2932739 0.05 721.8080444 0.13 726.3300171 0.27 730.0759277 0.80 732.8091431 1.47 733.7921143 0.24 734.6395874 0.30 735.7274780 0.50 736.5765381 0.30 738.4245605 0.05 741.1965332 0.45 745.3534546 0.48 746.3330688 0.42 751.6744995 0.33 753.4838257 0.42 755.5430908 0.34 756.2505493 0.09 757.0792236 0.14 758.9600220 0.24 759.7037354 0.34 760.6137695 0.25 763.5106812 0.40 765.2243042 0.47 766.3395996 0.29 767.7797241 0.15 773.7417603 1.23 774.5731812 1.23 777.5432739 0.42 778.4000854 0.28 779.6065674 0.10 782.2167969 2.09 783.0703735 0.97 783.6926270 0.71 786.6789551 0.09 788.7666626 0.34 789.9264526 0.17 790.7351685 0.19 791.9050293 0.13 795.5736084 0.06 796.3290405 0.14 797.1604004 0.18 798.3793945 0.32 800.1131592 0.34 800.9253540 0.63 803.2971802 0.15 804.3648682 0.38 805.1488647 0.99 807.2385254 2.58 809.7764282 2.99 810.4376831 0.09 811.7302856 0.44 815.4275513 0.12 818.7295532 8.35 819.6740112 0.15 820.8214722 0.57 822.2759399 0.10 823.3745728 0.76 824.0775146 0.98 825.1741943 0.17 827.2063599 0.39 832.5275879 2.16 833.2527466 1.10 834.2030029 0.09 836.8764038 0.17 837.6770630 0.18 839.5782471 0.11 840.6531372 0.18 845.4565430 0.41 846.6236572 1.50 847.5009766 0.36 848.7615967 1.13 850.7054443 0.33 851.4777832 0.55 853.1084595 0.06 853.9186401 0.21 854.7844849 0.68 855.7898560 16.23 857.5390625 0.18 859.2879028 39.97 860.4530640 1.32 861.1467896 0.16 865.2326050 0.10 865.9199219 0.12 868.2465210 82.72 869.2687988 1.46 869.9968872 0.30 871.8474121 0.37 872.6572266 0.15 873.4334106 0.93 874.1950073 0.32 878.4331665 0.26 881.7272949 0.34 882.7217407 0.25 886.1093750 0.10 887.4972534 0.04 888.2157593 0.11 889.9212036 0.26 891.4174805 0.36 893.5862427 0.10 894.8716431 0.11 895.5338745 0.06 896.5984497 0.10 897.5034790 0.36 898.1066895 1.54 899.0803223 0.18 899.9887085 1.63 900.7644653 0.07 903.4762573 0.72 906.0051270 10.24 906.6533813 11.98 908.8026733 64.97 909.8449707 0.08 910.9852905 0.85 911.7144165 0.13 913.4342651 0.08 916.0979004 0.32 917.7882690 100.00 918.6784058 3.27 919.4645386 1.27 920.5534668 1.37 921.5839233 1.39 922.6901855 0.29 926.6604614 0.08 927.7177124 0.13 929.8237915 0.06 930.5311890 0.49 933.1613159 0.88 936.5681763 0.04 938.4492798 0.15 939.9071655 0.13 940.6581421 0.64 941.7808228 1.39 945.5342407 0.22 950.5722046 0.18 952.8540039 0.11 961.5086060 0.06 962.6730347 0.81 963.8745117 0.41 964.5183716 0.12 969.0114746 0.33 975.0951538 0.09 976.2038574 0.06 983.9253540 0.11 989.0126343 0.34 994.4092407 0.19 996.5303345 0.22 997.3876343 0.07 1000.5935670 0.24 1004.6313480 0.37 1007.1289060 0.11 1007.7338260 0.44 1008.5657350 0.09 1013.1437990 0.31 1016.6513670 0.28 1022.4829100 0.07 1028.9274900 0.32 1031.7680660 0.25 1032.6199950 0.30 1033.6945800 0.30 1045.6152340 0.05 1049.7893070 0.07 1051.8280030 0.82 1052.8314210 0.44 1054.7687990 0.06 1067.7697750 0.34 1068.6015620 0.11 1080.2329100 0.04 1082.6566160 0.09 1087.4974370 0.23 1089.0375980 0.09 1089.7530520 0.08 1090.9240720 0.04 1102.4877930 0.18 1103.4482420 0.29 1107.7141110 0.08 1124.9438480 0.07 1129.0323490 0.11 1133.5201420 0.11 1135.2576900 0.32 1136.2608640 0.13 1152.6959230 0.05 1166.4852290 0.15 1167.6539310 0.27 1177.6658940 0.18 1180.7396240 0.29 1183.9240720 0.06 1189.9165040 0.15 1190.6770020 0.17 1205.7799070 0.23 1213.8361820 0.10 1232.6749270 0.16 1237.0733640 0.08 1250.8001710 0.20 1265.6754150 0.27 1279.2303470 0.35 1280.0029300 0.10 1282.4437260 0.24 1284.9808350 0.16 1295.0737300 0.11 1304.8181150 0.05 1317.8153080 0.07 1332.7662350 0.27 1343.7141110 0.14 1350.7617190 0.08 1355.3900150 0.14 1358.0292970 0.14 1361.7327880 0.81 1362.5296630 0.89 1363.1480710 0.21 1365.0214840 0.21 1366.5061040 0.10 1367.7489010 0.15 1382.4405520 0.05 1398.8254390 0.19 1435.6008300 0.11 1448.0543210 0.07 1450.9097900 0.09 1463.6033940 0.35 1465.9510500 0.18 1477.6075440 0.17 1497.1242680 0.06 1563.1502690 0.34 1564.0686040 0.41 1592.0794680 0.11 1649.1068120 0.15 1687.0037840 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 497.2519 Annotation Unknow Peak:m/z Relative Intensity 145.0198669 10.18 145.8991241 0.51 148.5541840 0.18 149.8623962 0.21 155.1442719 0.43 172.2001648 4.91 172.9486237 0.20 176.9768677 65.12 177.9878693 6.44 179.0725861 0.85 180.1723938 0.24 183.0059204 0.40 184.8215179 0.30 198.2243805 3.00 199.1371613 0.67 205.9226685 0.34 219.0231628 0.53 234.1850891 73.32 235.0707092 3.20 235.8136292 0.29 237.2150269 0.52 247.5258789 1.17 248.2240906 11.31 249.2339020 0.80 249.8769684 0.54 251.0893097 0.50 256.4455872 1.24 264.5013428 2.46 265.2181091 4.33 267.3318787 0.39 268.2240906 0.72 277.1892395 0.41 278.2923279 0.14 291.1341553 0.67 292.4552002 0.17 304.2293091 2.23 305.3052979 4.77 306.4129639 0.39 316.1742859 0.09 322.2086792 24.24 323.1801453 0.69 325.2020569 0.27 326.2237549 2.05 330.4528809 0.44 333.3771362 0.25 339.0842590 0.11 347.2164917 0.32 348.2888184 10.24 349.4727173 0.53 360.1719971 0.20 365.2116089 8.94 365.8560181 5.36 366.5130615 0.31 367.4262695 0.47 381.0460205 0.67 392.4054260 0.26 400.7178650 7.21 401.5048218 1.87 402.2320251 0.88 409.5326233 48.30 410.5732727 2.36 411.7362366 0.70 414.9486084 0.16 422.3195801 14.87 423.2149658 2.25 424.0055237 0.47 434.4196777 0.24 439.7118225 0.95 440.4075928 0.51 452.6580505 0.48 456.3723145 0.97 465.2694092 0.46 467.9838257 1.20 470.6249390 0.44 476.7492065 1.83 479.4526062 1.82 480.4633484 3.13 481.4373474 3.38 486.4436951 0.32 489.0072327 19.82 489.9650574 3.18 491.8761597 0.56 496.7070007 0.44 522.3026733 0.76 538.4431763 4.35 539.5227051 0.17 553.4237061 2.01 564.4160767 0.79 567.6098022 0.74 570.2491455 0.19 572.3904419 0.32 578.7532959 0.53 581.0968628 0.57 593.2861938 0.38 604.2412109 1.05 610.2434082 0.62 614.3975220 0.54 624.6825562 0.76 629.4411621 0.41 641.3974609 1.71 643.8428955 0.14 646.5082397 16.86 647.4869995 5.63 648.5366821 0.22 651.5879517 0.72 652.4536743 0.22 657.0841064 1.67 666.0320435 0.59 667.8432617 0.22 668.8110352 0.32 669.4492798 0.25 672.4086304 6.90 673.4966431 1.05 674.4343262 0.69 682.4817505 0.37 689.4775391 0.89 690.4988403 0.27 692.4766235 0.28 725.8872070 0.15 729.3369751 6.78 730.2251587 1.80 731.4866943 1.00 743.5253296 1.89 745.7078857 0.96 746.4291992 6.49 747.4631958 2.06 748.5380249 0.85 760.4213867 45.83 761.4859009 23.41 762.5748291 2.94 786.9702148 0.59 799.5924072 1.78 800.3878784 2.93 801.4124756 1.05 802.7837524 0.42 817.4603882 100.00 818.5059204 60.60 819.6376953 17.92 822.8790894 0.35 872.2304688 0.13 895.5896606 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 556.1268 Annotation Piperacillin Peak:m/z Relative Intensity 200.2207947 0.23 316.3759766 0.07 351.0871582 0.04 356.3678589 0.17 372.5329590 0.13 376.1975708 0.62 395.0619507 100.00 395.6679688 0.18 400.2338867 0.36 405.0443726 0.07 409.0486450 0.89 410.1336670 0.41 425.9871216 0.08 436.2691650 0.24 455.1455688 0.07 466.0132446 0.05 469.0481567 0.08 471.3985596 0.03 472.1259155 0.20 476.0034180 0.15 477.6943359 0.03 509.5474243 0.52 510.4025269 0.09 511.8475952 0.15 513.7746582 0.06 518.9240723 0.16 524.4616089 0.04 538.3999634 0.04 539.3211670 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 444.1328 Annotation Unknow Peak:m/z Relative Intensity 130.0716400 0.44 138.1296539 0.09 146.1768494 0.20 146.9638824 0.86 152.9225006 0.09 159.1745453 0.19 161.0211029 0.81 161.9721985 0.09 166.2088318 0.32 179.0189819 0.96 180.0568542 1.28 181.0830994 0.35 193.2299805 0.36 195.0198975 100.00 201.1648560 0.33 203.1937408 0.10 204.1547852 0.45 211.4823914 0.15 213.1782379 0.10 219.3463135 0.09 222.6067200 0.35 235.2740173 0.13 236.9727020 3.51 238.1492004 0.22 258.2928162 0.11 263.8659363 0.31 276.1254883 0.06 278.8915100 0.87 280.2018738 0.17 282.1185608 43.58 285.2879944 0.16 295.9869385 0.27 297.4919434 0.16 310.1883545 0.07 320.2730103 0.07 324.1881714 0.19 329.4342957 0.14 334.2478638 0.77 335.2986755 0.11 339.2128296 0.56 342.9705811 0.42 357.2098389 47.78 372.3206787 0.26 384.0208740 0.10 398.6003113 0.25 400.4085083 0.48 406.6005859 0.15 412.2330933 0.29 413.3718262 0.04 414.3724060 2.44 426.2868958 1.76 427.2425232 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 553.2054 Annotation threo-Carolignan K Peak:m/z Relative Intensity 149.2149048 0.02 175.0238342 0.06 191.0547943 0.03 192.2417450 0.02 205.1349640 0.28 221.1224060 0.04 233.1126709 0.26 238.0673981 0.03 259.0178833 0.03 293.2561035 0.56 309.2799072 0.03 317.1149292 0.05 323.4146729 0.14 324.4030762 0.03 329.5332642 0.04 337.3612061 0.05 341.5419312 0.03 345.1612549 0.04 351.9757690 0.03 364.7728882 0.10 383.3659058 0.44 384.9901733 0.24 389.6633911 0.04 390.4453125 0.06 391.5382690 0.11 409.3726196 0.38 415.4013672 0.08 425.2614136 0.05 433.0509033 0.07 437.5717163 0.11 445.3076782 0.05 457.1522827 0.03 463.1865845 0.06 479.1672974 0.05 481.1890259 0.02 482.6289673 0.03 489.3339844 0.06 492.5946655 0.10 493.2126465 0.13 504.9773560 0.02 508.0173340 0.04 509.5606079 0.02 517.2926636 100.00 517.9407959 0.38 519.2243652 0.04 523.6079712 0.04 532.9850464 0.03 535.2992554 0.15 536.2025146 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 675.37 Annotation Reveromycin D Peak:m/z Relative Intensity 197.1954346 0.13 198.3226776 0.07 207.1081543 0.45 211.0192108 0.73 213.1801910 0.49 215.0760651 0.04 217.3131409 0.06 222.1252441 0.04 227.2420654 0.05 229.1442871 0.22 231.0933533 10.46 232.9760742 0.16 234.0355530 0.13 235.1913147 0.44 237.0510101 0.04 244.1902771 0.06 245.1078339 0.23 250.4229584 0.08 252.3668823 0.17 257.1411438 0.14 259.0484314 0.05 261.0126648 0.31 263.0908203 0.38 264.9388428 0.07 268.4171448 0.08 270.3080139 0.08 275.1283875 0.12 277.3088989 0.10 280.2353821 4.06 283.2053223 0.08 285.2750244 0.35 287.2344360 0.18 288.5246887 0.08 291.2260742 0.87 293.0050964 0.03 295.4832764 0.03 297.5307007 0.82 298.1978760 7.00 300.1303101 0.04 303.2946167 0.96 305.0115662 0.13 309.2983398 0.15 314.1616211 0.43 323.3391113 0.93 328.2489929 0.07 330.3382874 0.18 331.4018555 0.09 332.0902100 0.33 332.9867554 0.22 341.0192871 0.17 342.2218018 0.12 343.2105408 0.03 348.1936646 0.16 357.3572388 0.09 358.3669434 0.72 360.3100586 1.11 368.4206543 0.11 370.2444458 0.04 372.2616577 0.24 373.2229004 0.06 376.4925537 0.17 378.2432251 5.43 382.2359619 0.96 384.3111572 0.11 387.2675781 0.42 389.2633057 0.04 392.9974976 0.09 399.1892700 0.32 400.2512817 2.98 409.2485352 0.20 410.0267944 0.03 415.3273926 0.86 417.2453003 20.38 417.8729248 0.31 420.5645142 0.13 423.3369751 0.30 425.4726562 0.07 427.2708740 9.41 428.4062500 0.07 429.3972778 0.04 431.3547974 2.15 433.4224854 0.08 435.4153442 0.02 445.2433472 100.00 445.9230347 0.19 448.8867188 0.12 454.8185425 0.07 463.5159912 0.07 466.4227295 0.12 467.4483643 0.13 473.3947754 0.35 477.3634033 0.08 482.1360474 0.10 483.1695557 0.07 485.7169189 0.02 487.5877686 0.09 488.3745117 0.10 489.9866943 0.08 491.1948242 0.43 494.4796143 0.21 495.2159424 0.11 503.4564209 0.09 504.2189331 0.06 504.9987183 0.06 512.4537964 0.14 513.4255371 0.87 514.2485962 0.11 516.3465576 0.27 517.5935669 0.19 518.4130249 0.11 519.1095581 0.02 521.4565430 0.13 524.4491577 1.05 525.2261353 0.06 528.4210815 0.10 530.3007202 0.25 531.1441040 0.13 535.2508545 0.10 536.3841553 0.15 537.5272827 0.15 540.4598389 0.05 542.3862915 4.46 545.0681763 0.20 545.7843628 0.03 547.6104736 0.05 550.5779419 0.10 552.1890869 0.10 555.0608521 0.07 556.3480225 0.12 557.2825317 0.04 560.5930786 0.14 561.5595703 0.05 562.1707764 0.05 563.7285767 0.14 565.4651489 0.12 571.4124146 0.22 572.5482788 0.03 575.2322998 0.32 576.7233276 0.05 580.3691406 0.11 586.2539062 0.77 587.4664307 0.18 588.4208984 0.27 589.8425903 0.03 590.5255737 0.02 591.1401978 0.05 593.4728394 0.10 597.0260620 0.07 598.1256714 0.04 599.5549316 0.23 600.3190308 0.14 601.3041382 0.25 602.2774048 0.07 603.4343872 0.33 604.7173462 0.12 606.6779175 0.12 609.7995605 0.27 611.4122925 0.22 612.6873169 0.10 614.6220093 0.42 615.2365112 0.10 616.9951172 0.26 618.5813599 0.08 621.5325317 0.20 622.7625732 0.40 623.6802979 0.46 625.7322388 0.20 627.2651978 0.09 631.7820435 0.43 632.8440552 0.07 634.5850220 0.06 635.3714600 0.08 639.4844360 0.33 640.6401367 0.74 642.1389160 0.10 643.3387451 0.62 644.4581299 0.20 647.2916870 0.09 648.4544067 0.04 650.0776978 0.66 652.6683960 0.20 656.6248169 1.50 657.5038452 6.87 658.4132080 0.24 659.7052612 0.03 660.9872437 0.07 662.7380981 0.12 663.4921265 0.03 665.2321167 1.40 666.0932617 0.27 667.1008911 0.06 675.9784546 0.08 687.1762085 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 199.99 Annotation Unknow Peak:m/z Relative Intensity 64.8347473 0.08 67.1298981 0.07 68.0667572 0.16 70.0497284 0.09 71.9484863 0.17 72.9147263 0.03 79.4012222 0.13 81.0351028 0.17 81.8555298 0.12 83.0353241 0.52 83.9610901 0.29 84.8247070 0.25 86.1884003 0.08 87.1244507 0.15 87.8964844 0.10 93.0140686 0.40 94.0036774 0.28 94.7709351 0.03 96.0177154 0.27 97.1254730 0.32 98.1378174 0.05 99.0403137 0.05 100.1259766 0.14 100.9249420 0.13 102.0203400 0.07 107.1542664 0.28 108.0599670 0.16 110.0872040 0.28 110.8639221 0.07 111.8690186 0.24 114.0605316 0.27 114.9565430 0.17 116.2830963 0.03 116.9635010 0.06 119.0924835 0.06 121.1708069 0.04 122.0905762 0.18 122.9570007 0.02 125.4106140 0.13 126.3550262 0.07 128.3612823 0.08 129.0886383 0.27 130.1869659 0.04 134.2811432 0.10 135.1105804 0.12 136.1128082 0.24 138.5525818 0.13 139.8905945 0.11 143.9604340 0.21 149.1686707 0.03 153.9705811 0.26 155.1629486 0.14 156.1183624 0.10 158.8585358 100.00 162.5410156 0.07 163.5553284 0.05 164.1643524 0.29 171.2097321 0.24 172.0937653 0.13 176.7642975 0.81 179.4154205 0.12 181.2129974 0.64 181.9818573 1.31 183.1101227 0.34 184.9463806 0.04 191.1309204 0.14 194.1529236 0.13 199.9032135 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1453.6486 Annotation Unknow Peak:m/z Relative Intensity 425.4348755 0.05 467.2489014 0.76 615.3420410 0.06 661.7263184 0.04 745.5411987 0.06 763.5104370 0.38 781.5126343 1.15 782.7503662 0.18 805.3593750 0.05 823.5733643 0.44 835.6438599 0.11 865.8432617 0.05 877.3987427 0.14 889.3304443 0.02 893.6224365 0.02 907.4525146 0.23 925.5123291 11.67 926.5024414 0.77 943.4996338 32.78 944.5139160 1.82 945.1718750 0.01 967.6628418 0.70 983.7539062 0.01 985.4792480 100.00 986.4678955 4.87 987.1027832 0.10 1007.5841060 0.10 1025.6865230 0.02 1026.7492680 0.14 1027.4687500 0.92 1028.4227290 0.07 1067.5023190 0.18 1068.5410160 0.04 1093.5281980 0.08 1105.7325440 0.06 1125.5300290 0.06 1129.5031740 0.05 1249.2735600 0.03 1309.1660160 0.46 1310.0371090 0.10 1323.7393800 0.03 1337.3161620 0.05 1390.6262210 0.03 1391.5551760 0.12 1393.5515140 0.03 1410.0710450 0.02 1411.6217040 0.06 1426.7928470 0.10 1435.3942870 0.12 1436.0179440 0.11 1436.8913570 0.03 1438.6866460 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 515.12 Annotation Unknow Peak:m/z Relative Intensity 172.8783569 100.00 309.2436523 1.67 329.0832520 0.34 335.3222046 7.29 339.4103394 1.56 341.2642822 18.79 353.3237305 1.99 425.0012817 1.08 453.3301392 2.63 479.3989258 7.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 316.12 Annotation Unknow Peak:m/z Relative Intensity 101.0147247 0.20 101.9870834 0.22 103.0334625 0.45 103.6766663 0.27 104.9431915 0.11 105.8182449 0.17 110.1265717 0.25 113.7429123 0.09 116.0135498 0.60 118.9428558 1.31 119.9856339 6.63 122.0116043 0.79 122.8431473 0.11 133.9103699 1.35 136.9197693 0.11 138.0184021 0.26 140.1474915 0.13 143.9871826 0.11 149.0423584 0.37 151.0324707 52.64 152.9825745 0.17 154.1509705 0.58 157.6258850 0.21 158.9986877 0.09 163.9942474 0.22 165.9997711 100.00 167.0151520 0.47 168.8637543 0.36 171.0123138 0.66 173.0834198 0.25 174.3815460 0.56 175.1291656 1.90 177.2438660 1.01 182.1129150 0.28 183.1534119 0.95 184.8071747 0.99 186.1550446 0.92 187.1050262 0.61 188.2096558 0.06 189.2894745 0.33 190.1513367 0.24 194.0848389 0.37 195.1444702 0.85 196.1543274 0.23 197.2187195 0.46 198.2089386 0.22 199.1087036 1.15 202.0937195 0.16 203.2003784 6.36 206.9245300 0.17 207.7690430 0.11 211.1302490 2.12 213.3726501 0.08 215.1648560 0.80 219.3685608 0.11 220.2620850 0.08 221.5188904 0.33 227.1475830 0.19 228.2667542 0.62 229.0233154 0.52 230.2837830 0.32 231.0534363 0.16 234.1334229 0.10 235.4086914 0.49 237.3007812 0.06 238.2677612 0.14 241.1407471 0.14 242.1893005 0.36 244.0086060 0.91 245.9400635 0.26 247.1750488 0.11 248.2952576 0.07 250.2203979 0.14 251.3330994 0.40 253.0493469 0.13 254.2409058 0.42 255.7893066 0.65 257.1553955 0.57 258.4914856 1.20 259.3211670 0.14 260.2238770 0.55 262.3561401 0.43 265.7086182 0.13 269.7039185 0.61 270.3489380 1.80 271.6428223 1.98 273.1646729 3.29 274.0154114 0.71 275.2554932 0.47 276.6199951 0.15 277.3225708 0.33 280.0397644 0.53 283.6329956 0.42 284.9180603 0.08 286.0943604 0.42 287.3131104 0.18 288.1858215 1.24 289.8811035 0.46 291.6713257 0.29 292.2928467 0.13 293.4437866 0.34 294.6789551 0.12 297.1090088 3.13 298.1210327 8.53 299.2994385 0.52 300.1669922 2.75 300.9053650 1.06 302.5719299 0.94 303.5642700 0.48 306.9859314 6.07 307.8892517 0.78 309.8627930 2.83 310.5777283 0.55 315.0163574 0.32 324.4871826 0.52 325.2576904 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 593.1508 Annotation Scutellarein 7-neohesperidoside Peak:m/z Relative Intensity 167.7060242 0.04 171.0690613 0.11 175.2029877 0.02 179.0154114 0.20 180.1825409 0.04 181.0671082 0.04 183.1674194 0.05 184.2053833 0.05 185.0589294 0.36 187.0985260 0.20 189.2711487 0.04 190.8586731 0.03 193.1185760 0.02 194.8893280 0.23 195.9958954 0.09 197.0972900 0.52 198.1817322 0.02 198.9526062 0.56 201.2910767 0.04 203.0651093 0.08 205.9294128 0.07 209.1826477 0.12 211.1221313 1.18 212.1854858 0.11 213.2902222 0.55 215.0559845 0.21 216.2136993 0.03 223.0083008 0.16 226.0720673 0.08 227.1623077 0.17 229.1911621 2.20 232.0546570 0.06 237.3821106 0.04 239.1287842 0.68 240.4105225 0.72 241.0934143 0.78 249.1175537 0.08 250.2598724 0.09 250.9538879 0.05 255.1763611 1.50 256.1374512 0.53 257.1682129 3.70 265.0313110 0.23 266.2360535 0.16 267.1320190 1.51 268.2420654 0.06 269.2247009 0.07 271.0873413 0.12 280.3026123 0.08 283.2225952 0.78 284.2382812 6.97 285.0861816 100.00 286.1247559 0.13 289.2847900 0.07 292.9324341 0.05 298.2581177 0.03 299.1748657 0.21 305.8810425 0.02 307.2051392 0.10 309.0060425 0.06 322.4300537 0.04 323.5374756 0.22 327.1351318 3.68 341.2741699 0.04 342.4750977 0.07 343.1942139 0.07 347.2938232 0.06 350.2321167 0.06 357.1654053 0.73 359.3040161 0.07 369.0512085 0.09 375.0237427 0.23 376.1810303 1.05 377.1681519 0.12 379.1232910 0.08 383.3936157 0.05 384.3198853 0.19 385.5160522 0.04 389.0949707 0.03 393.0444336 0.30 400.8298950 0.04 413.2612915 0.68 430.3267822 0.13 431.0493774 0.03 432.4002075 0.03 443.1451416 0.15 445.3184814 0.19 447.3161621 0.29 449.4727173 0.29 461.6647949 0.05 462.9725342 4.70 464.3067627 0.64 476.1079102 0.49 487.2443237 0.04 495.4306030 0.15 497.2069702 0.09 500.5072021 0.05 503.2083130 0.18 511.2668457 0.08 519.2900391 0.13 524.4662476 0.11 528.3145142 0.08 533.3129272 0.16 545.2981567 0.03 546.2586060 0.19 547.4949951 0.37 548.3969116 0.07 549.2923584 0.21 555.4962769 0.24 556.6038208 0.71 560.4318848 0.23 561.3464966 0.06 562.3041992 0.11 565.2969360 0.42 574.2107544 3.09 575.2376709 0.91 578.2522583 0.20 578.8916626 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 565.19 Annotation Fraxiresinol 4'-O-beta-D-glucopyranoside Peak:m/z Relative Intensity 168.1356201 0.13 172.2261353 0.02 173.0471954 0.08 186.1939697 0.36 187.9929962 0.10 189.0848236 0.04 191.2549438 0.03 196.1995239 0.03 198.1790161 0.48 199.0323181 0.14 200.2389832 0.07 201.3687897 0.07 205.4266052 0.04 206.9783630 0.09 209.1373901 0.12 216.2117004 1.29 220.2614136 0.04 221.2313385 0.46 225.2527161 0.02 227.1944275 0.05 233.0194550 0.07 235.1403198 0.46 243.1618500 0.59 244.1599731 0.01 251.1919403 0.99 257.4041138 0.06 260.0750122 0.17 261.1568604 0.05 268.3157959 0.13 274.9718933 0.03 277.2667847 0.04 278.2785645 0.03 279.7962646 0.02 282.2022095 0.28 283.2949829 0.07 285.9691162 0.42 286.5781250 0.04 287.2300415 0.04 289.0936584 0.01 292.4537354 0.04 295.5736694 0.08 297.1993408 1.38 301.1758423 0.30 304.0344238 0.21 309.1242676 0.04 311.0382996 1.24 312.2220459 0.29 313.1531372 0.54 318.1875610 0.72 320.2590942 0.04 323.0559692 0.09 325.2691040 0.10 327.3914795 0.18 331.2131958 0.45 333.2667847 0.03 335.4989624 0.03 339.2230225 0.16 341.4766846 0.09 344.2507324 0.28 348.3169556 0.65 351.4647827 0.02 355.4001465 0.03 357.3035278 0.11 359.2227173 0.07 361.1964722 0.03 365.3738403 0.25 367.4783936 0.03 369.0596313 0.21 380.4228516 0.02 382.5126953 0.02 384.3609009 0.04 385.3167114 0.25 386.6461182 0.07 401.4688110 0.02 403.2054443 100.00 403.8947144 0.19 409.3108521 0.07 413.4878540 0.11 416.5349731 0.09 421.1702271 0.54 426.1601562 0.05 430.2910156 0.07 432.5767212 0.03 434.5039062 0.03 442.5535278 0.09 443.2106934 0.01 448.3747559 0.10 449.3145142 0.07 460.3013916 2.92 461.2266846 0.24 463.2943115 0.29 470.2157593 0.07 473.2429810 0.05 477.0400391 0.19 478.3894653 4.38 485.4174805 0.33 487.1062622 0.19 487.9793091 0.04 489.3917847 0.04 500.0215454 0.05 501.6644897 0.04 503.4035034 0.06 505.2703247 0.80 506.4691772 0.04 516.2422485 0.02 517.4181519 2.26 518.2645874 3.66 519.2678833 1.79 520.3944702 0.45 521.1635132 0.03 522.9984741 0.03 526.8682251 0.12 528.5419312 0.09 529.2883301 0.43 533.3773804 0.17 535.3921509 17.04 545.4047852 0.01 547.2496338 3.03 548.2367554 3.29 548.8416138 0.03 549.9894409 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1171.5526 Annotation Assamsaponin A Peak:m/z Relative Intensity 347.1001892 0.14 365.1824036 0.22 371.2398071 0.11 390.4014893 0.05 395.2269287 0.30 396.1369324 0.23 405.1390686 0.09 407.0251465 0.35 415.2184753 0.06 423.7512817 0.07 426.0800171 0.15 449.1499329 0.04 467.1708984 2.71 468.3139038 1.70 469.0478821 0.06 485.2949219 0.05 486.3223267 0.08 528.4981689 0.06 575.4512329 0.14 576.8188477 0.18 601.6268311 0.67 602.5080566 1.36 619.6298828 0.54 620.6344604 1.24 643.5471802 1.03 644.5825195 1.22 659.2406006 0.21 660.4143677 0.03 661.5041504 5.77 662.6250000 9.34 663.4987793 0.22 703.4971924 49.45 704.4688721 100.00 705.6232910 2.53 746.0206299 0.06 746.7135010 0.46 747.5013428 0.11 767.3526611 0.12 786.6627197 0.11 788.5133667 0.11 848.3470459 0.23 849.6014404 0.15 861.0231934 0.05 866.8297119 0.32 884.4464111 0.18 891.1333008 0.07 908.4719238 0.48 950.5905762 0.11 955.4387207 0.07 967.9638672 0.04 985.4793701 0.11 986.7116699 0.13 1010.5358890 0.21 1027.5085450 3.88 1028.2578120 18.70 1028.9886470 0.40 1029.6447750 0.09 1047.9233400 0.08 1051.5388180 0.12 1070.2930910 1.45 1110.2943120 1.15 1111.0522460 0.17 1112.8765870 0.04 1128.6743160 0.07 1151.4893800 0.07 1154.3782960 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 550.76 Annotation Unknow Peak:m/z Relative Intensity 212.8299103 0.86 214.7214050 0.42 296.7711182 8.97 297.7829590 1.58 298.8444214 10.35 323.0738525 0.44 324.2449341 0.75 325.1478882 0.04 380.6119995 39.63 381.8542480 12.77 382.7565918 51.15 383.8565063 0.09 403.1164551 0.06 464.5031738 26.48 465.7536011 33.91 466.6517944 100.00 504.1000366 0.09 533.0874634 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 853.9448 Annotation Unknow Peak:m/z Relative Intensity 240.1090851 0.08 252.2093201 0.12 254.2731323 0.04 254.9600220 0.04 259.2640991 0.03 269.1552734 0.05 272.0824585 0.25 280.1240540 0.03 282.2044373 0.11 283.2236328 0.03 296.2210693 0.27 296.9651489 0.08 300.1468811 0.93 301.2869263 0.06 308.0188904 0.38 309.6224670 0.07 311.9411926 0.04 314.1023865 0.07 323.3076172 0.45 326.3259888 0.09 328.3566589 0.04 331.2874146 0.09 332.6119385 0.03 337.6349487 0.13 340.7030029 0.06 349.4942017 0.06 350.1908569 0.07 351.0686951 0.35 352.2131653 0.09 362.5469971 0.09 365.1554260 0.88 366.1516113 0.20 367.1247559 0.25 369.3371582 0.62 370.2094727 0.10 379.2681274 0.79 381.6036987 0.03 382.2468872 0.03 383.4854736 0.21 384.3167114 0.07 393.4745483 0.09 394.4531250 0.08 397.1512451 0.60 398.2636108 0.07 401.3101196 0.08 420.5055542 0.05 423.3134766 0.04 425.3426514 0.17 426.4571533 0.08 429.4746704 0.03 435.5073242 0.08 436.3668213 0.13 440.3217163 0.42 441.0949097 0.17 442.1886597 0.13 447.8438721 0.16 450.0853271 0.78 450.7656860 0.05 452.3713379 0.03 458.5735474 0.04 461.0526733 0.22 464.4774780 1.26 465.3618164 0.48 466.3198853 0.12 468.2749634 2.07 469.2946777 1.05 470.4610596 0.08 476.4354248 0.19 482.2144775 0.11 485.8077393 0.26 492.4270630 0.14 496.2478027 0.20 499.2152710 0.08 505.1682129 0.14 507.4846802 0.04 517.5759277 0.17 520.2192993 0.04 523.3961182 0.40 524.1631470 0.06 526.3887329 0.10 527.4798584 0.13 528.3674316 0.15 529.9248657 0.27 530.6058350 0.03 531.2329712 0.07 535.0162354 0.12 535.7180786 0.32 536.3718262 0.07 537.1660156 0.09 537.7976074 0.05 539.2811279 0.12 547.2388916 0.22 549.4775391 0.17 551.4735107 0.13 554.6423950 0.06 555.4266968 0.91 556.3595581 0.92 557.2892456 0.14 558.5480347 0.12 562.3217773 0.06 563.2804565 0.08 565.4067993 0.36 566.6140747 0.07 571.4785156 0.02 573.4785156 0.04 575.4163818 0.24 576.5620728 0.07 577.3491821 0.05 580.7509155 0.16 589.4889526 0.35 593.3019409 1.69 594.3123169 0.89 595.4990234 0.95 596.7035522 0.29 597.8240967 0.35 601.3991089 0.07 603.4254150 1.60 604.0560913 0.64 606.4724121 0.03 609.3032837 0.25 610.5995483 0.12 611.5755615 0.30 613.4984741 0.22 614.6510620 0.19 615.4886475 0.27 616.5122070 0.18 618.4582520 0.02 620.4122314 4.53 621.2280884 2.23 622.6060181 0.10 623.7186890 0.14 625.1911621 0.44 626.4203491 0.30 627.4743652 0.18 628.4252930 0.05 630.1590576 0.27 633.2250366 0.09 636.4801025 0.29 637.3740845 0.40 639.0595703 1.54 639.8336792 0.63 640.4517212 0.05 646.2288208 0.68 647.7811279 0.36 648.5366821 0.08 651.8768311 0.10 653.2061768 0.61 654.1618042 0.25 655.0855713 0.09 656.5894165 0.19 662.1085205 0.15 664.3528442 4.75 665.4644165 1.50 666.3938599 0.47 667.6505737 0.05 668.4199829 0.50 669.5438232 0.08 671.7337036 0.13 673.6878052 0.09 674.7804565 0.58 675.5136108 0.18 677.4507446 0.10 678.7668457 0.10 680.7366943 0.08 684.3901978 0.33 685.2098389 0.21 686.4803467 6.68 687.5064087 1.67 688.5629272 1.10 689.5171509 0.10 691.1481934 0.10 692.2830200 0.20 693.4309692 0.02 694.7774048 0.17 695.6870117 0.61 696.4202271 0.30 697.7017212 0.30 703.2190552 0.58 704.6734619 100.00 705.4928589 17.18 706.3469849 0.42 707.0037231 0.42 708.2634888 0.66 715.1506958 0.17 721.0576782 0.07 722.3141479 2.64 723.4474487 1.28 724.4625244 0.47 727.4996338 0.06 728.4328003 0.08 729.3523560 0.07 730.4338989 0.46 731.1876831 0.17 734.9538574 0.36 735.9181519 0.04 736.5264893 0.04 737.6355591 0.24 738.9313965 1.42 739.6687622 1.53 742.4359741 0.19 744.1340942 1.44 745.0068970 0.36 745.8726196 0.21 747.8903198 0.09 748.9452515 1.28 749.6071167 0.15 753.1290283 4.89 754.2645874 21.57 755.0811157 3.36 756.5377808 0.23 757.3068237 0.05 759.0540161 0.34 760.8124390 0.38 763.5094604 2.84 764.4006958 1.91 765.4987793 0.52 766.1824341 0.08 767.6757812 0.04 770.2308960 0.15 771.1790161 0.28 772.3121948 0.09 773.1973267 0.06 774.4088745 0.87 775.5695190 0.26 776.7559814 0.03 777.9235229 0.03 779.5370483 1.02 780.4479980 0.30 783.3813477 0.51 784.7204590 0.11 786.7023315 0.08 788.6360474 14.31 789.4829102 3.07 790.4398804 0.27 793.0263062 0.47 793.6373291 0.27 794.2824707 0.12 795.8334351 1.04 796.6189575 0.37 797.5308228 0.66 798.3486938 0.65 799.7360229 0.08 800.8551025 0.16 801.7039795 0.48 809.6926880 0.07 811.4568481 0.10 813.0045166 0.67 813.8211060 0.05 815.4057617 5.36 816.4471436 1.27 817.4690552 0.47 819.5281982 1.77 820.1951294 0.22 821.6535645 0.77 822.7053833 0.30 823.9426270 0.14 826.6894531 0.12 827.4835815 0.03 832.0152588 0.53 834.5408325 0.14 836.2474976 1.83 837.2608643 1.14 838.2440186 0.14 839.7636108 0.02 845.0100708 0.65 845.7077026 0.12 864.6940918 0.15 867.0192871 0.04 868.0711060 0.13 874.4407349 0.33 875.4991455 0.18 876.5137939 0.22 880.8789062 0.30 882.7344360 0.08 884.4336548 0.13 885.0668335 0.04 887.5294800 0.25 892.4650879 3.39 893.4266968 1.61 894.4352417 0.42 895.1873169 0.08 902.1337280 0.10 910.3661499 0.29 911.1155396 0.26 912.6279907 0.49 913.4687500 0.32 916.5028687 0.03 918.6575317 0.03 920.7800903 0.04 922.4817505 0.19 926.5230103 1.41 927.5706177 0.79 928.1936035 0.02 930.3679199 0.04 944.4547729 4.15 945.4404907 1.81 946.1696167 0.09 947.3576660 0.59 948.3786621 0.12 951.5474243 0.44 956.4263306 0.10 962.6652222 0.38 963.6358032 0.04 967.5303345 0.42 968.5376587 0.05 970.9477539 0.05 973.6930542 0.14 974.3464355 0.14 983.3842163 0.12 984.7744141 0.18 986.1786499 0.14 995.4812622 0.19 998.5417480 0.06 1000.2562870 0.08 1003.4685060 0.33 1007.5816040 0.10 1011.6433110 0.02 1013.7411500 0.03 1014.8334350 0.07 1015.9613650 0.43 1021.5217900 4.55 1022.5512700 3.05 1023.5383910 0.65 1027.4016110 0.39 1029.1010740 0.17 1029.9495850 0.19 1037.3259280 0.78 1038.7958980 0.32 1043.5593260 5.04 1044.5756840 3.19 1045.6689450 0.81 1046.7133790 0.27 1058.6008300 0.03 1060.2254640 0.23 1060.9733890 0.28 1071.1799320 0.23 1078.9162600 0.07 1082.1166990 0.44 1094.7182620 0.09 1098.9571530 0.09 1101.2939450 0.07 1102.4916990 0.68 1108.5524900 0.50 1109.1776120 0.27 1110.5948490 0.06 1112.0305180 0.13 1112.7570800 0.54 1113.6506350 0.14 1118.5549320 0.22 1119.8656010 0.12 1126.8253170 0.09 1128.8728030 0.12 1129.7004390 0.13 1135.7922360 0.05 1136.5029300 0.10 1140.0822750 0.09 1142.6641850 0.39 1143.7924800 0.04 1144.9300540 0.39 1145.5878910 0.04 1157.5051270 0.30 1159.1450200 0.10 1164.6046140 0.58 1177.0869140 0.12 1180.3424070 0.07 1193.2910160 0.02 1203.6363530 0.11 1205.6359860 0.62 1206.7437740 0.40 1207.8472900 0.14 1208.8388670 0.10 1211.4243160 0.61 1212.7701420 0.38 1213.7062990 0.09 1222.7384030 0.44 1223.8337400 0.05 1229.1552730 0.98 1229.8659670 0.08 1230.7561040 0.07 1231.6601560 0.17 1233.9404300 0.06 1234.8139650 0.08 1237.7446290 0.04 1239.6159670 12.19 1240.7675780 7.76 1241.6693120 2.15 1246.5935060 0.35 1247.3178710 0.07 1248.6070560 0.15 1258.5592040 0.08 1268.5555420 0.03 1276.7381590 0.78 1277.7554930 0.58 1278.6146240 0.14 1281.5568850 0.12 1294.6927490 0.28 1305.8107910 0.30 1308.9425050 0.21 1310.7810060 1.12 1311.7855220 0.63 1313.0718990 0.29 1319.0375980 0.02 1324.5239260 0.08 1325.9768070 0.10 1336.6958010 0.06 1347.7010500 0.17 1349.1168210 0.17 1351.9840090 0.05 1358.4041750 0.35 1375.8385010 0.72 1376.5705570 0.25 1377.6590580 0.19 1389.8940430 0.41 1390.8649900 0.23 1393.9904790 0.06 1397.9365230 0.04 1407.7128910 8.28 1408.7784420 7.12 1409.9586180 2.26 1419.4840090 0.07 1453.1077880 0.04 1460.9630130 0.04 1487.8007810 0.17 1496.7890620 0.06 1504.8166500 0.21 1506.2889400 0.56 1507.0985110 0.29 1508.9499510 0.30 1519.9116210 0.07 1577.7917480 0.07 1611.6452640 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 74.92562866 1.57 88.7038269 0.42 92.97918701 1.16 96.98770142 2.54 99.21615601 1.28 100.9083862 1.23 110.7060852 0.97 112.8755493 1.80 114.9907227 1.19 119.0583954 1.04 124.8006744 4.71 126.7514648 0.70 138.9627838 2.79 143.0828705 1.46 147.033432 2.86 148.3198395 3.31 149.1707306 4.31 151.08815 1.18 153.1426849 0.97 160.930954 2.23 163.1720734 2.88 164.9026031 0.87 167.390625 0.98 169.0927582 0.76 171.1598816 0.72 174.1726532 1.06 177.1212616 9.09 178.0029144 1.67 179.1194305 11.76 179.9924316 0.60 181.1302338 1.12 182.9649048 1.13 185.0428314 1.36 188.924469 2.04 191.0800323 5.90 193.0810394 2.93 194.6210175 9.40 196.9920502 0.84 203.1614227 1.65 205.006897 9.30 207.1251068 20.49 208.2180634 6.89 209.3073883 10.25 214.999649 7.23 220.0272369 2.38 221.066864 5.63 221.97229 4.98 223.0802002 29.66 233.2109528 32.97 234.3450775 1.30 245.0604095 0.85 251.0737305 100.00 252.1190796 13.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 265.015 Annotation Unknow Peak:m/z Relative Intensity 84.1468048 0.02 100.9900818 0.01 146.1650543 0.01 155.9713440 0.04 158.8047791 0.04 166.2292328 0.02 170.9639282 0.01 174.8508453 0.04 192.7010803 0.05 205.3114777 0.04 209.2019196 0.04 219.0707550 0.17 221.0709534 0.03 222.3048706 0.02 223.9031525 100.00 224.7671661 0.03 229.2386017 0.04 236.9492950 0.03 241.7938232 15.40 242.8542480 0.01 244.1383820 0.04 245.9985962 0.02 247.1634979 0.02 255.5863190 0.19 256.5017700 0.06 265.0177612 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 770.39 Annotation Asterobactin Peak:m/z Relative Intensity 245.0608826 0.09 246.1684570 0.22 255.2062683 0.10 262.6778870 0.09 270.3973999 0.20 286.0821838 0.28 309.7596436 0.21 314.2681274 0.31 321.3753967 0.22 323.1766968 0.42 324.3684998 0.07 325.8719788 0.09 336.3951416 0.14 340.1773376 0.32 342.8945618 0.24 350.4441223 0.07 351.1108398 0.13 358.1786499 26.49 362.1934814 0.20 365.1856079 0.26 366.1047974 0.10 367.4337158 0.21 371.4366455 0.15 377.4346313 0.17 381.0383301 0.32 383.2514038 0.33 389.3003540 0.21 393.1878052 0.07 404.2467041 0.11 404.9708252 0.11 407.1488647 0.43 413.3320923 0.58 423.2435913 2.54 426.2648315 0.04 457.0315552 0.15 468.3446045 0.63 470.4498291 0.59 476.4073486 0.09 482.1436768 0.43 483.5127563 0.18 487.2562256 0.42 491.3191528 0.14 496.2252808 0.19 500.3583984 0.11 504.5713501 0.12 506.3610229 0.16 510.5441895 0.60 516.6180420 0.39 517.4528198 0.33 520.5875244 0.57 525.1404419 0.09 543.5824585 0.19 544.3234863 0.25 550.3014526 0.15 552.2578735 0.42 554.5573730 0.19 557.4418335 0.43 558.3836060 0.33 561.4948730 0.36 566.3706665 0.83 570.4807739 0.10 573.3097534 0.10 577.1149902 0.05 578.2994995 0.11 581.1487427 0.14 584.3125610 100.00 584.9320068 0.35 586.8250122 0.14 590.4630737 0.08 591.3835449 2.44 596.7680054 0.21 598.6638184 0.11 607.4155884 0.50 608.7849731 3.10 609.4862061 10.30 617.2290039 0.16 619.4556274 0.76 620.4251709 0.52 621.1524658 0.34 622.4991455 0.39 623.7061157 0.12 625.1877441 0.05 629.2280273 0.20 635.4994507 0.26 637.3956909 0.10 639.6122437 0.21 640.7126465 0.10 641.8070679 0.08 643.1695557 0.20 645.2509155 0.08 652.1036377 0.76 653.4650879 0.20 654.4036865 0.44 659.5209351 0.07 666.0891113 0.93 667.0001221 0.17 668.8817749 0.46 671.4450073 1.61 675.3093262 0.17 679.5484009 0.11 680.5322876 0.20 681.3204956 0.58 686.1284790 0.08 687.2284546 1.30 688.6969604 0.48 695.7492065 0.84 696.5173950 0.38 699.2080688 0.46 701.1533813 0.13 701.9960938 0.33 703.5285034 0.64 704.4701538 0.62 707.5039673 0.11 710.3924561 0.16 713.2528687 0.17 714.4600220 0.08 717.3126221 0.15 720.6868286 1.37 721.3246460 1.93 724.1741333 0.57 725.0502930 1.07 727.1820679 1.30 728.5383911 0.85 733.5555420 0.22 734.3840942 0.09 735.8070679 1.48 737.2403564 0.40 738.4906006 1.14 744.2120972 0.70 746.6521606 1.08 749.9877319 0.67 752.4603882 12.11 753.5501099 2.51 758.2232056 0.49 759.3544922 0.79 760.3200073 0.21 761.2463989 0.45 764.6129150 0.23 780.7424927 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 443.1472 Annotation Bequinostatin D Peak:m/z Relative Intensity 130.0571289 0.14 130.8746490 0.02 132.9917450 0.77 161.0630188 5.23 176.8112793 0.03 186.8498230 0.03 188.1537781 0.44 191.1419067 0.04 193.0573730 17.11 194.0830383 0.02 215.9434357 0.03 227.2414551 0.06 233.1118469 0.44 234.0605316 1.33 251.0564270 100.00 312.1035767 0.03 314.1069336 1.13 425.4051514 0.06 426.1377869 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 660.2069 Annotation Unknow Peak:m/z Relative Intensity 187.1501312 0.14 191.1184235 0.07 192.1063843 0.52 193.2282257 0.09 197.2207947 0.24 198.8449097 0.08 200.8360138 0.06 202.1730957 0.42 203.4251709 0.15 204.2354279 0.16 210.1954956 5.86 211.2956238 0.33 213.2462158 0.14 215.1050110 0.16 218.0564880 0.07 221.0540161 0.30 224.0552673 0.21 224.9533691 0.18 226.3132019 0.43 228.2959595 0.61 229.1430817 0.21 231.2426758 0.14 236.0258789 1.45 236.6966858 0.09 237.3880615 0.16 241.2036285 0.17 242.1597443 0.33 244.0507507 0.21 248.9162292 0.20 250.1989136 0.37 251.1139221 0.08 254.1049194 44.78 255.2056732 5.07 258.4831543 0.09 262.3034973 0.05 265.2562561 0.28 265.9040527 0.19 268.0877075 0.57 269.5020752 0.19 270.1626587 0.96 272.1244507 62.20 273.1021729 7.71 278.2140503 0.26 279.0704651 0.92 286.3293152 0.37 288.0979614 41.29 289.1858521 4.12 297.3900146 0.38 300.1943359 0.05 302.2396851 0.63 303.2448120 0.42 304.3572388 0.28 306.1158752 63.85 307.2420654 5.91 309.1431885 0.13 312.1569824 1.00 314.1174927 0.13 315.3842163 0.08 316.3207397 0.10 318.0069580 0.26 320.1305847 3.03 321.1398315 0.14 325.3347778 0.10 327.0289001 0.06 328.1314697 0.04 330.0616455 1.86 331.0961914 0.18 333.8457031 0.03 336.8536377 0.08 339.0167236 0.17 340.3491821 0.08 342.0283813 0.35 348.2410889 0.99 349.2034912 0.37 351.0975952 0.22 354.9450073 0.40 356.1945801 0.32 360.1019287 0.34 361.4104004 0.38 369.0304565 4.75 370.1903076 0.52 372.3659668 0.44 378.0978394 0.18 379.0972900 0.29 385.9936523 0.12 387.1558228 0.21 388.4177246 0.16 390.1956177 1.02 391.2852783 0.27 402.2763672 0.39 403.1107178 0.15 404.0867310 0.35 405.1821899 0.29 408.2968140 0.58 409.6395874 0.21 410.2971191 0.06 411.2418213 0.39 416.4596558 0.08 423.3118286 0.19 424.5565796 0.12 433.1265259 0.09 439.1862183 0.04 441.0374756 0.03 442.1222534 0.22 445.2239990 0.04 449.3291626 0.04 450.1993408 0.80 455.6316528 0.10 456.2776489 0.07 458.2193604 0.06 466.1925659 1.21 467.2507324 0.06 468.2921143 3.07 469.6582642 1.65 470.3368530 4.61 471.2162476 0.30 474.2813721 0.69 475.1968384 0.20 480.1078491 11.48 481.1633911 2.88 488.5637817 0.12 489.1775513 0.09 498.2145386 94.59 499.2183838 16.78 500.1320801 0.12 504.6605835 0.28 513.0979004 0.37 527.4412842 0.67 531.2413940 26.24 532.2645874 4.95 533.3606567 0.19 540.1090088 0.20 544.2869873 0.51 556.8380737 0.12 564.0357056 0.07 567.3094482 2.49 568.2378540 1.36 570.2225952 0.10 571.9322510 0.29 575.5270386 0.11 582.2398071 0.14 585.0945435 0.91 586.0575562 0.16 587.3288574 0.12 597.1926270 0.25 599.3296509 1.02 600.3098755 1.60 601.4050293 0.60 603.7963867 0.29 611.3770752 0.07 616.2702026 1.62 617.4773560 0.53 624.2391968 0.19 625.3724976 0.06 626.5175171 0.21 628.3594360 1.16 629.5251465 0.40 630.3660278 0.87 631.5623169 0.32 637.4551392 0.22 642.2378540 100.00 643.3237305 28.59 645.5111084 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 549.2549 Annotation Unknow Peak:m/z Relative Intensity 154.0742798 0.05 202.0873871 0.06 220.8764954 0.10 225.4042664 0.15 237.5247650 0.04 258.1765137 0.11 286.8333130 0.02 293.2166443 0.06 299.3406982 0.04 305.3688354 0.07 306.1049194 0.10 310.9439087 0.26 311.9792480 0.25 313.2728271 0.17 318.9335327 0.03 326.2749023 0.13 327.5014038 0.04 334.9313354 0.28 340.3759766 0.14 341.3703003 0.36 343.3930054 0.28 346.2479248 0.02 348.1407471 0.05 350.4195557 0.03 353.2207031 0.05 359.5193481 0.04 363.2706299 0.04 364.3939209 0.06 366.9644165 0.27 370.5026245 0.05 372.7130127 0.06 379.0021973 0.04 386.3956909 0.16 387.3026123 0.57 391.1822510 0.04 405.4111328 0.24 417.2089233 0.07 425.7369385 0.09 433.4509888 0.03 443.1032104 0.08 451.2273560 0.12 459.0629883 0.03 461.4755859 0.09 472.4391479 0.05 474.4318848 0.09 488.8608398 0.09 491.6968384 0.10 501.5272827 0.03 503.4116821 100.00 504.5725708 0.28 505.2783203 0.02 510.6976929 0.04 512.3442383 0.29 513.2664185 0.10 515.9572144 0.12 517.1867065 0.16 518.3505859 0.55 519.4472656 0.52 530.2593994 0.25 531.2706299 0.45 532.1132812 0.03 534.5272827 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1317.6086 Annotation Tubeimoside I Peak:m/z Relative Intensity 427.5592957 0.05 467.2420044 0.81 468.5566406 0.02 471.5437012 0.32 485.1013794 0.05 499.5764160 0.06 513.2019043 0.06 551.2460938 0.01 559.6509399 0.07 567.4875488 0.10 585.6054688 0.41 600.9916382 0.02 601.6990356 0.04 603.5908203 0.97 604.6198120 0.12 605.6467285 0.08 627.4786377 0.10 646.6372070 0.03 651.8345947 0.11 667.3765259 0.03 683.4222412 0.07 684.6292725 0.22 693.4357910 0.01 699.2211914 0.02 700.2388306 0.11 711.5773926 0.36 712.4659424 0.10 729.6241455 1.97 730.7762451 0.07 747.4954224 10.39 748.4985962 1.10 753.5173950 0.03 762.6508179 0.08 765.5807495 3.10 766.4472656 0.14 789.4548950 15.36 790.5562744 1.67 805.2813110 0.08 807.4940186 31.33 808.5573730 3.88 831.4766846 0.11 849.4164429 100.00 850.5164795 10.53 854.5883789 0.05 891.1810303 0.25 891.9339600 0.36 892.6126709 0.03 931.4537354 0.08 993.6390381 0.11 1027.5218510 0.02 1079.8352050 0.07 1113.2951660 0.02 1172.3608400 0.02 1173.1030270 0.10 1173.7532960 0.02 1174.8698730 0.05 1215.5607910 0.05 1275.4714360 0.16 1289.5859380 0.04 1296.2247310 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 280.87 Annotation Unknow Peak:m/z Relative Intensity 94.9639130 0.08 99.0890045 0.07 123.1657028 0.03 126.0970154 0.05 137.8767395 0.14 147.9248352 0.04 150.0460510 0.16 156.1472778 0.03 156.8278809 0.06 160.8000793 0.17 163.9946594 0.12 167.0702057 0.16 168.0543518 0.07 169.9056244 0.27 174.2332611 0.38 175.0130463 1.42 175.9828796 0.25 182.3840790 0.16 183.0664978 0.09 185.0017242 0.29 186.0638733 0.33 187.0245667 0.28 189.7979279 0.02 191.1409607 0.12 192.7702789 0.13 195.9409485 0.04 196.9443970 0.08 198.1562195 0.35 199.0142517 0.68 202.8547363 0.23 204.0134888 0.21 204.8994446 0.55 211.6616211 0.04 216.9156494 1.07 218.9346313 0.22 220.0964966 1.00 220.9788513 3.17 222.1819458 0.09 222.8836670 0.15 224.1022034 0.11 225.1123352 0.15 225.9286499 0.07 230.1309509 0.05 232.0863647 0.50 232.9607849 0.61 233.9774475 1.00 235.0415039 11.44 235.8251343 0.09 237.0105896 0.43 239.0396118 0.13 239.9242249 3.22 242.9867249 0.15 243.9909363 1.30 244.9939880 0.85 245.9867554 0.04 247.0051575 0.18 247.9764404 0.05 249.0654907 2.11 250.0594177 0.25 251.3523865 0.85 252.7883911 0.93 253.4824219 0.12 258.1697388 1.20 259.9676819 3.74 261.0551758 0.61 262.7944336 100.00 265.0905151 16.27 266.4601135 0.51 267.3734741 0.72 268.6483765 0.26 269.6065063 0.61 270.2784729 0.59 271.3861084 2.95 272.1594238 1.58 273.4636230 0.32 274.4650879 0.05 276.2330627 0.25 278.5416870 0.31 280.8065491 7.23 282.7560425 0.45 289.7331543 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 665.6936 Annotation Unknow Peak:m/z Relative Intensity 197.1942139 0.27 243.3701935 0.04 261.1719055 1.80 262.2946167 0.04 272.2099609 0.15 273.2772217 0.08 275.4938965 0.27 282.4105835 0.07 285.1210327 0.67 292.3894043 0.02 298.1820374 0.16 301.3953857 0.10 311.4193115 0.73 312.3063354 0.05 313.3284302 0.14 319.5948486 0.05 351.0524292 0.04 360.5228271 0.07 361.2830200 0.08 365.0297241 0.06 369.2171021 0.07 376.1365967 0.05 385.0650635 0.09 400.2291260 0.06 411.1196289 0.11 413.2594604 0.14 431.4660034 0.07 433.1322632 0.05 440.2192993 0.05 443.2589111 0.12 446.3103027 0.08 446.9738159 0.05 458.1145020 0.08 467.8958740 0.08 473.2802734 0.06 483.3173218 0.06 490.0299072 0.11 501.4822388 0.13 504.2799683 0.12 516.3549805 0.33 519.4001465 0.13 520.5719604 0.07 521.7411499 0.19 522.3800659 0.20 523.4641724 0.04 526.3029175 0.04 528.1627197 0.05 529.4973145 0.35 531.4505005 0.07 533.7045288 0.11 538.4479370 0.05 544.0230103 0.03 546.7365112 0.29 550.1378174 0.20 552.5836792 0.06 563.8783569 0.04 565.7908936 0.28 566.7485962 0.10 569.4042358 0.07 570.1618652 0.07 573.2054443 1.61 573.8457031 0.61 575.9292603 0.08 579.3831177 4.08 580.1254272 0.06 580.8067017 0.10 581.6143799 0.04 582.3554077 0.08 587.4501343 0.05 588.4144897 0.23 589.6798096 0.23 591.3433838 0.24 591.9548950 0.09 592.8580933 0.04 594.1686401 0.13 597.0776367 2.41 598.8864746 0.19 600.0164185 0.51 600.7950439 0.16 602.8202515 2.10 603.4620972 2.29 604.1727905 0.11 605.0140991 0.13 606.3826294 13.47 607.1497192 0.99 608.1892700 0.24 609.4964600 0.81 610.4219971 0.25 612.3060913 15.23 613.6517334 0.25 614.3666382 0.18 616.7698364 0.06 617.5267944 0.12 620.5986328 0.09 622.3607788 0.15 624.1304321 0.92 624.8906250 0.11 626.9663696 0.55 629.2575684 0.18 630.8074951 0.30 633.6766968 0.18 634.4597778 0.02 637.0592041 0.10 639.0296021 0.10 641.9035034 0.17 643.3479614 0.14 645.6871948 0.22 647.2812500 0.03 649.3723755 4.17 650.4808350 0.20 651.1560669 0.20 652.0119019 0.23 653.0991821 0.18 654.0994263 2.16 654.8781738 1.22 655.5495605 1.38 657.6087646 0.42 664.4216309 0.07 669.8192749 0.15 682.9832153 0.19 684.7793579 0.04 689.3848267 0.16 692.6759033 0.15 702.3526001 0.12 710.4736938 0.05 711.9871216 0.17 717.0968628 0.42 721.4186401 0.36 727.1901245 0.27 732.8822632 0.04 735.8001099 0.25 737.4854736 0.30 738.5181274 0.23 739.2415161 0.55 741.8762817 0.33 744.2357788 0.18 749.7999878 0.64 750.6112671 0.48 755.6780396 0.30 766.5639038 0.11 769.7985840 0.29 771.9827881 0.11 774.4448853 0.31 777.7162476 0.05 782.4705200 1.36 783.7395630 0.30 784.4287109 0.01 791.6947021 0.21 792.4489746 0.04 793.2059937 0.41 801.1995239 0.05 802.5859375 0.05 807.0675659 0.44 810.0136108 1.19 810.8294067 0.14 811.9968872 0.12 813.9084473 0.09 816.9269409 0.72 818.7908936 4.36 819.6499634 0.31 820.6798706 0.14 824.0874634 0.72 826.6981812 0.14 828.5402222 0.67 832.4762573 0.79 833.2077026 1.23 834.5368042 0.34 835.4387817 0.26 838.8432617 0.43 840.4876709 0.05 843.0519409 0.34 849.9544678 0.23 850.5584106 0.57 853.9924927 0.66 855.2042847 0.13 859.2951050 9.51 860.1873169 1.05 861.3716431 0.04 862.6603394 4.03 863.4021606 1.99 864.7770996 0.10 866.4731445 0.07 868.2543335 30.16 869.0757446 6.30 870.4379272 0.43 871.1887817 0.13 876.6381226 0.06 877.6760864 0.07 880.1344604 0.44 887.1135254 0.26 890.0378418 0.06 890.8074341 0.37 893.2031250 0.05 897.3639526 0.33 899.5772095 0.19 903.5366211 0.25 904.2028198 0.44 908.5391235 16.98 909.2648926 21.91 910.1941528 0.21 913.2329712 5.77 914.2641602 0.69 915.6381226 0.24 917.7753906 100.00 918.5877075 22.16 919.6911621 0.43 920.8544922 0.45 922.1420898 0.05 923.6613770 0.20 924.7987671 0.14 927.1240845 0.09 930.9989624 0.05 935.0895996 0.03 939.2590332 0.08 940.3876343 0.10 948.4987183 0.13 949.5734863 0.14 950.7629395 0.03 952.7171021 0.08 956.6557617 0.09 972.1221313 0.05 975.5726929 0.03 991.6938477 0.20 1017.3229980 0.13 1045.6015620 0.11 1051.7500000 0.19 1052.6508790 0.18 1067.6198730 0.04 1077.4620360 0.17 1088.5705570 0.05 1107.2368160 0.04 1123.5634770 0.08 1132.7448730 0.09 1144.2065430 0.06 1155.7546390 0.10 1157.6737060 0.04 1162.8627930 0.03 1170.4611820 0.07 1181.9265140 0.10 1185.0378420 0.03 1187.6844480 0.10 1231.4932860 0.15 1253.5075680 0.16 1260.3018800 0.10 1304.6798100 0.20 1348.7254640 0.11 1357.9473880 0.15 1366.7945560 0.12 1367.8386230 0.14 1369.1828610 0.08 1375.7669680 0.36 1376.9051510 0.26 1377.5778810 0.20 1422.7467040 0.10 1447.5552980 0.04 1449.9273680 0.04 1462.4848630 0.03 1463.8953860 0.02 1464.4974370 0.05 1465.9874270 0.14 1477.9700930 0.03 1488.4888920 0.17 1508.7904050 0.15 1564.1287840 0.06 1636.0921630 0.16 1637.1409910 0.05 1735.8297120 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 458.7331 Annotation Unknow Peak:m/z Relative Intensity 133.0140381 0.21 142.9432526 11.88 143.9727478 0.78 144.9114227 0.39 162.0727997 3.83 163.0378113 0.21 165.7319031 0.18 171.0139008 22.70 171.9561768 2.96 174.9993134 0.05 186.2928162 0.14 227.3439178 0.31 229.2330627 0.11 231.1984863 0.09 240.0579681 0.25 240.9564209 0.08 245.1544800 0.21 256.0494080 0.07 258.8993530 0.49 263.1989136 0.25 271.5248108 0.21 282.1980286 0.37 297.1072998 0.13 300.1729126 4.06 301.1230469 1.12 312.1817017 0.56 313.1166992 0.28 327.5219727 0.09 328.3912659 0.15 330.2400513 0.06 333.5511169 0.32 334.3316040 0.25 339.2672729 0.08 342.2827759 0.41 344.2313232 0.08 345.0004272 0.17 346.7808228 0.52 347.3808899 0.76 348.8352966 0.21 355.9105835 2.89 356.5114136 0.18 359.2014160 0.16 360.4013672 1.85 361.2444458 0.20 364.8215942 16.16 366.2239685 0.19 366.8898621 0.09 369.4389954 0.26 370.1372070 0.17 371.2391663 0.13 373.7927856 23.75 374.8450623 0.44 379.3399353 0.18 383.2341003 0.24 387.2580872 0.67 400.9945374 0.11 411.2038879 0.17 421.9627380 0.53 423.5797119 2.92 424.4311218 0.54 428.6303101 1.12 429.3099060 3.13 430.3118591 0.14 432.6828918 0.12 433.8390198 0.11 437.2806702 0.27 441.0185852 0.79 441.8229065 0.28 443.0473328 2.54 443.7521362 0.74 449.9669495 19.13 450.8762207 0.09 451.8173523 0.40 452.7662659 0.63 455.4028015 0.08 458.9090881 0.08 470.2196350 0.35 488.3111877 5.10 489.4370422 3.65 498.3765564 0.07 499.5328979 0.53 509.3330994 0.23 510.5916443 0.39 516.3515625 0.37 518.9696655 0.39 539.3206177 0.12 540.3119507 0.22 546.4462891 0.18 548.7843628 0.20 549.4688110 0.12 557.4136353 1.58 558.6066284 0.31 567.4641113 2.20 568.4014893 0.61 569.2904053 0.55 582.8878174 0.61 585.5421753 0.19 587.0482788 0.32 599.2472534 0.59 600.5051270 0.28 617.3591309 16.79 618.2470703 4.26 619.5895996 0.26 641.3233032 0.40 654.4078979 0.32 684.6629639 0.20 719.1025391 0.11 728.3435669 4.21 729.5241089 2.52 730.3858032 0.18 737.5890503 1.01 738.4781494 0.62 746.3997192 100.00 747.4326172 33.44 748.4758911 1.58 755.4833374 7.23 756.5352173 2.30 845.4387207 0.28 846.0478516 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 943.4891 Annotation Mimusopside A Peak:m/z Relative Intensity 275.1750488 0.07 323.0387573 0.06 366.7011108 0.05 381.5649414 0.08 391.4862366 0.04 393.2645874 0.11 395.1919250 0.05 397.5173950 0.15 411.5841064 0.05 415.4941406 0.31 425.6586914 0.62 443.4108276 0.14 469.5740967 0.04 471.4325562 0.09 473.8521729 0.35 485.5451660 0.04 486.8532104 0.11 487.5166626 2.44 499.3721313 0.06 511.4791260 0.06 515.3442383 0.40 529.4858398 0.25 539.5722656 0.07 583.3473511 0.05 599.6493530 0.04 601.4208374 0.44 609.6107788 0.08 613.8712769 0.10 617.4048462 0.06 619.5258789 6.38 659.1774292 0.12 661.6308594 0.07 667.9448853 0.36 719.6407471 0.26 727.6751709 0.06 737.5519409 0.20 745.6900024 0.08 752.5643921 0.04 763.5580444 9.05 775.3666382 0.10 779.5692139 0.21 781.5123901 100.00 782.2885132 0.27 799.4838867 0.12 807.4233398 0.51 823.4929810 0.51 846.5001831 0.14 851.5747681 0.09 873.6248779 0.05 877.5596313 0.18 898.1342773 0.25 899.3823853 0.40 922.5237427 0.14 924.0731812 0.05 925.5767822 6.23 926.4912720 0.23 944.3338013 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 489.1456 Annotation Unknow Peak:m/z Relative Intensity 147.0007477 17.08 161.0300903 0.10 179.0563049 0.29 266.4809570 0.10 281.0341492 0.17 306.5689697 0.39 320.2223816 0.43 326.9877319 0.73 341.2063904 100.00 367.1289062 1.02 403.4620667 0.17 426.5669556 0.18 445.4745789 0.22 457.0645447 4.10 457.7230225 0.22 459.0231628 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 723.4034 Annotation Unknow Peak:m/z Relative Intensity 211.1329346 2.76 229.2541809 0.26 234.1561279 0.08 241.2113037 0.24 252.1496124 0.06 257.2844849 0.11 258.4584961 0.08 259.4104004 0.17 261.0079041 0.70 262.1755371 0.06 264.0200195 0.05 266.8505249 0.24 278.0431519 0.26 288.3793640 0.09 299.1640625 0.23 307.3823853 0.27 309.3743896 0.07 311.1804810 0.05 312.1250610 1.87 313.5070190 0.16 317.2678833 0.26 321.0112915 0.29 330.2783813 17.88 331.3076782 3.23 344.0719604 1.46 348.1185913 0.08 349.0678101 0.08 354.4233398 0.15 360.2137451 0.93 361.1812744 0.05 370.0857544 0.11 374.2803345 0.30 374.9777832 0.10 394.3582764 0.30 411.1394043 0.29 414.2706299 0.11 415.1901855 0.15 416.2052002 0.04 419.4715576 0.26 420.5999756 0.22 426.2542725 0.31 427.1691895 0.27 428.2449951 0.32 429.2047729 1.11 430.0280762 0.32 430.8706665 0.42 432.1579590 0.11 433.2880859 0.05 436.1491089 0.20 441.4117432 0.38 449.5828247 0.26 451.4782715 0.38 457.5289917 0.52 458.9619141 0.09 460.2031860 0.20 468.9232178 0.10 470.5892334 0.04 477.5864868 0.15 479.5276489 0.52 480.2978516 0.12 486.3914185 0.20 488.6574097 0.22 491.3990479 0.21 494.2625122 0.13 496.4366455 0.13 498.8003540 0.32 502.6086426 1.37 504.2717285 0.73 506.7432251 0.43 508.6000977 0.16 509.3736572 0.25 515.3789673 0.08 517.6773071 0.15 519.3566895 0.16 523.0034180 0.14 524.9829102 0.08 525.9415283 0.97 527.1175537 0.79 528.0490723 0.29 530.1267090 0.06 534.3666382 0.33 537.0817261 0.33 542.3081055 0.70 542.9765015 0.14 544.7977295 0.16 546.1873169 0.52 546.9917603 0.71 550.6104736 1.34 553.4359741 0.23 554.1593628 0.46 555.6624756 0.20 556.7686157 0.24 559.0924072 9.66 560.2570190 1.30 561.2854614 0.22 562.1488647 0.13 565.5029907 0.97 566.4157715 0.05 569.2091675 0.07 569.8388062 0.20 572.7944946 0.30 576.4020386 0.34 584.8846436 4.80 585.5339966 2.79 586.1532593 0.44 587.0756836 0.28 590.9707642 0.09 592.5222168 0.07 593.6166382 1.30 594.8869019 0.27 598.4720459 0.12 599.4793091 0.93 600.4991455 0.54 602.1459351 0.08 603.6682739 0.10 605.5409546 0.35 607.6425171 8.17 608.4895630 0.25 610.8092651 0.29 612.0682983 0.04 615.1519165 0.06 620.0470581 0.15 620.8677368 0.22 621.5349731 0.33 624.1702881 0.37 627.3222046 0.35 628.3833008 0.06 629.6698608 0.26 631.2213135 0.35 632.8528442 0.50 633.4694824 0.31 644.6535034 0.99 649.0939941 0.79 650.2106323 5.24 651.1134644 0.14 653.0488892 0.16 654.9390259 0.17 655.7378540 1.13 656.9763794 0.55 657.6455688 1.13 660.3760376 1.52 661.4583130 0.25 663.9189453 35.72 664.5853271 25.83 665.8748169 0.76 667.1160278 0.18 667.7436523 0.24 669.1906738 0.23 670.3327026 0.11 671.4753418 0.45 673.3423462 3.29 674.4921265 0.70 675.4962158 0.24 676.7111206 1.71 677.4218750 0.12 678.3931274 0.38 679.3599243 0.43 681.0322266 0.08 683.3164062 0.97 684.3408813 0.35 685.7846069 2.13 686.7254028 0.54 689.6900024 0.80 690.3433228 1.04 691.3828125 2.36 693.0318604 0.71 694.2502441 4.66 695.2628174 1.24 696.0696411 0.52 698.5016479 0.36 699.1963501 0.30 700.0466919 0.66 700.8895264 0.10 702.0578003 0.40 705.0175781 0.20 705.7868042 0.31 706.5042725 0.29 707.4962158 0.90 708.9616699 0.30 710.3378296 0.47 711.3381958 1.15 712.5763550 2.43 713.2118530 1.56 714.4715576 2.09 715.7551880 0.25 740.0520020 0.46 744.2567749 0.16 745.5798950 0.04 747.0551147 0.41 748.3232422 0.46 749.2491455 0.15 753.2604980 0.31 753.9709473 0.47 756.3186035 0.28 757.6642456 0.26 759.6060181 0.23 763.6162720 0.36 767.7613525 0.10 769.3479614 0.28 770.1784058 0.16 771.3424072 0.29 773.4674683 10.34 774.5112305 4.86 775.5999146 0.89 781.4453735 0.09 783.6823730 0.08 786.2929688 0.56 787.5998535 0.38 790.0928345 0.79 794.4129028 0.84 795.1817017 2.16 796.0338745 0.59 802.4021606 0.06 805.7670288 0.17 811.5207520 0.30 817.2604370 0.98 818.0540161 0.15 825.6749878 0.25 826.8300171 0.22 830.3715820 0.85 831.6440430 0.20 832.8154297 2.12 833.8582153 0.57 836.1510010 0.25 838.4313965 0.82 839.5107422 1.40 840.8258667 0.29 841.7633057 0.21 845.1486206 0.62 845.8546753 0.04 847.4713745 0.43 850.3300171 0.58 852.4728394 0.23 853.3151245 0.45 854.9790649 0.33 862.0547485 1.03 864.0327759 0.50 864.9545288 0.73 871.7528687 1.68 872.7693481 0.15 874.2206421 0.14 875.4363403 0.38 876.7451172 0.20 879.4992676 0.11 881.7769165 0.78 882.3928223 0.64 883.0336304 0.24 885.8634644 0.54 887.2930298 0.14 889.2346191 0.10 891.5517578 1.22 892.3124390 0.36 893.1035767 0.24 893.7141113 0.30 901.5488892 0.12 907.6271362 0.06 911.5219116 0.67 914.2625122 0.16 915.0515137 0.10 918.9359741 0.98 920.5264282 1.05 924.7660522 0.86 926.2070923 0.35 930.4393921 0.15 932.0776978 0.37 934.0007935 0.28 934.8724976 0.23 939.5639038 0.06 945.7814941 0.10 953.1298218 0.40 954.5968628 0.91 956.7682495 0.47 957.7667847 0.21 958.5134888 0.07 965.8425903 0.21 967.5534668 0.22 982.9208984 0.06 983.7461548 1.52 984.7394409 0.57 985.6902466 0.05 989.6592407 0.25 990.7856445 0.33 991.7687988 0.36 993.4598999 0.21 1002.7341310 0.11 1009.1107790 0.25 1010.6480100 0.17 1011.6908570 0.36 1017.5936890 3.30 1018.6906740 2.43 1021.6256710 0.23 1031.7631840 0.28 1036.2390140 0.31 1041.8884280 0.20 1049.6596680 0.11 1051.7862550 0.41 1055.6240230 0.95 1065.8132320 0.10 1072.0666500 0.56 1075.0318600 0.60 1086.7659910 0.67 1088.8950200 0.16 1089.9545900 0.12 1090.7281490 0.41 1098.3310550 0.17 1098.9627690 0.08 1099.5854490 0.13 1100.3753660 0.19 1116.6649170 100.00 1117.6951900 49.24 1118.7659910 7.52 1120.6091310 0.04 1122.4304200 0.41 1127.6481930 0.25 1128.5634770 0.38 1129.5067140 0.43 1132.0035400 0.43 1133.9412840 0.18 1156.9624020 0.08 1168.7917480 0.53 1169.8012700 0.68 1170.7421880 0.17 1173.5952150 0.20 1184.7927250 0.25 1185.6994630 1.06 1186.3564450 0.30 1192.8612060 0.14 1200.3603520 0.08 1214.4229740 0.10 1227.7740480 0.22 1277.4385990 0.26 1283.7901610 0.44 1328.0169680 0.19 1331.8666990 0.15 1338.8962400 0.29 1414.9948730 0.27 1445.3662110 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 303.88 Annotation Unknow Peak:m/z Relative Intensity 86.6441498 0.08 111.0054398 0.07 151.1353149 0.20 154.1338806 0.07 161.2762756 0.06 162.8178406 0.10 165.1270752 0.22 171.8878479 0.10 172.6394958 0.32 178.9057007 0.06 189.7820435 0.14 194.6549988 0.04 197.2741394 0.12 201.8746948 0.05 204.3193359 0.13 205.9128113 0.08 212.8442688 0.16 213.8372192 0.17 215.3047485 0.09 216.6087952 0.08 218.8657837 5.10 221.7593384 0.04 227.0330505 0.19 228.1322021 0.07 229.0209045 0.11 229.9097290 0.06 232.2133789 0.38 236.6697998 0.16 243.7050171 0.07 245.0816040 0.43 245.8556824 0.04 257.1300049 0.56 258.1135254 0.66 259.4471436 0.49 260.1921387 0.30 261.4483337 0.38 262.8094482 100.00 268.0513000 0.10 271.0358582 0.08 272.4185791 0.08 273.2890625 0.64 273.9644775 0.09 275.1868896 0.25 275.9969482 0.18 279.3699036 0.36 280.8046875 20.43 283.3989868 4.72 284.4854431 0.63 285.1661377 0.19 286.0885620 0.85 292.0103760 5.51 292.7510681 0.09 294.6894836 0.27 297.8048706 0.06 303.8883667 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5795 Annotation Scillanoside L2 Peak:m/z Relative Intensity 389.2513428 0.02 394.9841919 0.01 423.3060913 0.02 441.6904907 0.02 443.3718872 0.01 467.2833557 0.58 485.2575073 0.01 487.4890747 0.01 502.5924072 0.00 601.6578369 0.06 619.6140747 0.82 620.8027344 0.04 661.5708008 0.01 727.4910889 0.01 763.5285645 0.79 764.6171875 0.13 781.4768066 100.00 782.5628662 8.94 783.1751099 0.02 795.6169434 0.01 796.8024902 0.02 806.3483887 0.03 823.4242554 0.91 824.4890137 0.23 845.7124023 0.02 863.5511475 0.23 865.0428467 0.01 907.2425537 0.01 925.7828369 0.03 1027.5410160 0.01 1069.4924320 0.03 1105.1469730 0.24 1106.3923340 0.02 1120.1778560 0.02 1147.9123540 0.02 1187.3972170 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0711 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 105.0997925 1.79 148.9245148 1.09 157.1104279 0.24 169.0680389 0.59 177.9715118 1.04 178.9984894 1.69 180.0641479 1.91 180.9701538 0.64 194.2103882 1.66 195.0814972 0.68 206.0917969 1.79 207.1642456 14.05 208.191925 13.53 209.267868 0.45 222.0958099 3.55 222.9558716 15.26 224.1625519 0.42 251.0753326 100.00 252.1542969 11.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 637.183 Annotation Glycobismine-D Peak:m/z Relative Intensity 179.1001892 0.03 204.9054718 0.28 217.0182037 0.07 235.0694885 2.16 259.0912781 0.11 277.1280823 0.48 295.0260620 100.00 324.3019409 0.03 325.0155640 0.04 339.1805420 0.10 341.2603760 1.07 445.1470947 0.06 457.1643677 1.02 520.7320557 0.42 521.3410645 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 478.2935 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 140.0729065 0.02 153.0376892 0.10 196.1051331 1.85 202.9660950 0.03 210.4642334 0.03 214.1205292 0.78 228.0416260 0.08 239.9892273 0.08 241.1621857 0.04 248.3467712 0.06 253.2019958 0.02 265.2109070 0.04 281.2956543 100.00 282.0086365 0.19 295.1649780 0.02 299.7930908 0.07 305.5875244 0.02 336.9353638 0.20 340.3454285 0.03 396.5043945 0.01 398.2212219 0.03 406.1924133 0.03 415.7231140 0.11 417.3703918 0.14 418.2338257 0.05 419.7811584 0.05 421.1905212 0.03 422.3535767 0.02 432.4248352 0.13 433.0856018 0.11 435.4569092 0.06 440.0517273 0.07 442.2569275 0.21 443.0769348 0.14 449.6224060 0.16 459.7029114 0.06 460.7725525 0.11 462.0751343 0.24 470.6172180 0.05 473.2361145 0.02 475.4502258 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1141 Annotation Lactulose Peak:m/z Relative Intensity 179.1266479 0.01 262.7036438 0.04 323.3996582 0.02 341.1662598 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 682.3568 Annotation Unknow Peak:m/z Relative Intensity 200.7809296 0.09 213.3638458 0.04 215.5548096 0.12 219.0787964 0.12 250.3709259 0.11 251.5377808 0.08 257.8256226 0.07 261.2552795 3.00 262.1800842 0.27 263.2439575 0.04 266.3437195 0.08 268.2418213 1.60 269.0906982 0.03 270.2617798 0.25 284.2997742 0.06 294.0305176 0.06 303.4191895 0.08 320.1475220 0.21 326.3732605 0.26 327.3961487 0.15 328.4451904 0.21 332.2656250 0.24 335.3209229 0.10 340.6520996 0.10 341.3107300 0.18 351.2836304 0.18 355.2198486 0.07 360.4880981 0.04 365.2117310 0.09 369.3930664 1.17 370.5209961 0.05 379.1652222 0.14 382.8359375 0.12 397.3436890 2.02 398.3094482 0.18 406.3504028 0.04 410.3234253 0.21 411.4614258 0.84 429.2668457 30.88 430.3792114 4.84 431.1473389 0.06 435.6459351 0.14 438.5951538 0.11 440.3779907 0.31 442.2600098 0.04 451.3214111 0.25 452.2152100 0.18 453.6163330 0.14 454.4083252 0.03 455.1707764 0.03 470.4894409 0.19 471.1458130 0.07 480.3494263 0.93 481.2731934 0.19 488.6179810 0.25 489.4403076 0.14 491.4737549 0.05 498.2804565 17.14 499.3124390 2.99 500.5175781 0.17 502.2802124 0.14 508.1493530 0.24 509.9442749 0.50 512.1789551 0.14 517.9675903 0.09 518.9891357 0.16 530.3527222 28.12 531.4057007 5.80 543.5263672 0.24 550.9967651 0.05 552.4745483 9.21 553.5586548 0.35 554.9503784 0.09 560.1658936 0.28 562.3026733 0.18 564.5518188 0.28 566.8493652 0.25 567.8706665 0.08 573.4011841 0.08 577.5114136 0.39 578.3217773 0.15 579.0687866 0.23 580.0914307 0.63 583.3686523 1.71 584.2446289 0.50 586.9245605 0.11 588.0607300 1.05 589.1215210 0.60 593.1649170 5.11 594.0021973 0.24 595.1332397 0.08 595.7817993 0.13 596.6416626 0.14 597.3400269 0.15 601.9807129 100.00 602.9607544 3.77 603.8146362 0.55 604.6539307 0.54 606.0037231 0.28 606.9655762 0.29 607.7161865 0.15 608.3872681 0.08 611.7811890 0.26 615.1947021 0.20 619.0741577 0.05 621.3520508 0.35 624.3091431 0.11 624.9149780 0.34 626.4050903 0.12 627.7077026 0.07 631.8723755 0.06 636.5195923 0.07 637.4728394 0.12 638.4762573 0.06 643.1882935 0.30 645.7604980 0.14 651.8254395 0.47 654.5917358 0.05 655.3077393 0.07 657.8222046 0.44 664.2630615 0.66 665.0746460 0.74 666.3598022 3.56 668.4269409 0.15 672.3406982 0.23 673.6437988 52.29 674.6212769 1.70 675.5433960 0.27 676.1886597 0.36 677.5353394 0.46 679.6251831 0.11 687.8319092 0.06 692.7443848 0.13 705.3698120 1.50 706.6845093 0.22 710.3815308 0.12 717.6752319 0.03 732.5039062 0.11 736.2105103 0.12 737.4572144 0.04 743.6370239 0.25 745.3779297 0.15 761.6185913 0.04 763.4561768 2.64 764.3623657 1.31 764.9675293 0.12 767.8926392 0.04 769.6251831 0.03 770.5500488 0.17 771.4111938 0.19 776.1850586 0.23 781.1595459 0.55 785.8355103 0.35 790.6407471 0.19 805.5464478 0.10 806.4517212 0.47 816.5459595 1.34 817.4796143 0.72 827.0321045 0.41 830.7710571 0.16 834.4636230 34.61 835.5731812 12.16 836.3457642 0.63 837.4376831 0.52 843.0996704 0.30 846.2503052 0.14 848.4624023 0.97 849.3815308 0.74 851.1798706 0.09 852.7390747 0.12 856.6961060 0.06 859.5139771 0.05 866.5112305 17.33 867.6071777 5.57 868.5866699 0.09 871.9647827 0.22 873.5702515 0.24 874.8251953 0.38 876.0469360 0.11 876.7520142 0.31 879.8854370 0.59 882.2362671 0.03 889.7365112 0.27 900.5949097 0.21 901.4511108 0.42 911.0514526 0.14 913.9352417 0.08 917.5503540 3.69 918.7429199 2.54 923.2156372 0.04 935.4785156 47.61 936.4880981 24.63 937.5026855 0.50 938.8085327 0.19 949.6396484 0.18 958.1599121 2.15 958.7744751 0.15 960.9948120 0.30 967.6276245 5.26 968.5363159 1.42 969.2705688 0.02 987.7046509 0.17 988.7097168 0.04 990.4893188 0.12 1005.8069460 0.17 1014.5754390 0.10 1078.7197270 0.44 1079.8637700 0.12 1085.2318120 0.03 1086.2526860 0.70 1086.9743650 0.25 1087.6817630 0.22 1096.5570070 0.49 1103.5643310 5.79 1104.5488280 4.63 1105.1756590 0.04 1105.7906490 0.07 1156.7612300 0.22 1177.6699220 0.10 1184.7336430 1.24 1185.8380130 0.62 1186.6158450 0.12 1202.6051030 20.16 1203.6380620 15.49 1204.7277830 1.47 1234.4495850 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 385.1139 Annotation 3'-O-beta-Glucopyranosyl plumbagic acid Peak:m/z Relative Intensity 112.9369431 0.07 118.7491760 0.07 120.9852676 0.05 148.9984131 0.89 152.9792175 0.03 160.9614868 0.06 163.9603119 4.13 174.9522095 0.05 177.0561829 0.19 178.2460632 0.05 179.1046143 0.59 190.0034790 4.31 203.1801147 0.08 205.0171814 55.26 206.0332336 0.06 208.0578918 0.79 218.2261047 0.40 219.1544800 0.11 221.0904541 1.92 223.1040039 100.00 231.1287231 0.09 232.0814819 0.58 233.0835876 0.48 234.9975586 0.10 236.1071167 0.06 237.2279053 0.66 245.3579712 0.07 247.0287170 53.16 249.0104065 0.06 251.2339783 0.04 263.0433655 0.36 264.0594482 0.02 265.1762390 9.92 277.0908508 2.04 287.3323364 0.22 289.0531921 1.69 295.1765137 2.88 305.0056763 0.10 307.3033142 0.46 319.0266113 0.15 325.1497498 5.61 325.7622681 0.04 349.1558838 0.14 355.1559143 0.13 367.2612000 1.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 786.7254 Annotation Unknow Peak:m/z Relative Intensity 227.1327515 0.48 232.9286652 1.10 233.9226837 0.16 253.1751099 0.06 272.1097412 0.27 280.8195190 0.10 298.2270813 0.78 301.2889709 0.17 303.1067505 0.09 312.2675171 0.68 317.1909485 0.27 323.0910950 0.05 327.0792236 0.06 328.1784668 0.22 330.2767944 11.41 331.3153076 0.77 338.1978149 0.32 351.2442627 0.15 353.1696472 0.19 353.8398743 0.14 356.1591797 0.18 359.2626953 0.20 365.4764099 0.10 367.2837524 0.17 369.1064148 0.58 371.2105713 0.05 383.3198853 0.12 398.0158081 0.11 401.3267822 0.11 403.0065308 0.19 403.6777954 0.32 409.5076904 0.54 415.6440430 0.09 422.3746338 0.35 423.1348877 0.28 426.2664795 0.07 428.1559448 0.09 430.3555298 0.06 435.9885864 0.62 440.2992554 0.82 441.2770386 0.86 442.1817627 0.27 444.2618408 0.13 458.5753784 0.15 459.2506714 3.84 460.2752686 0.13 482.3612061 0.27 483.5708618 0.05 487.1533813 0.11 490.4412231 0.04 495.1049805 0.18 497.6248779 0.38 498.9284058 0.29 501.4971313 0.13 504.4417725 0.06 507.3953857 0.05 508.3739014 0.18 512.7677002 0.15 516.3582153 0.34 529.1322632 0.07 534.5076294 0.22 535.4309692 0.38 539.5179443 0.08 540.2685547 0.34 549.5500488 0.30 550.4337158 0.05 554.3810425 0.12 555.4509888 0.13 556.4331055 0.40 557.5173950 0.34 558.1693115 0.12 560.0343628 0.24 561.4662476 0.11 565.3487549 0.07 567.0065308 0.23 568.4374390 0.07 572.1749878 1.22 573.0369263 0.10 581.5529785 0.20 583.5383301 0.29 587.2896118 0.11 596.4881592 0.16 597.5208740 0.27 602.7571411 0.10 606.3023071 0.25 607.3453369 0.06 610.4028931 0.37 612.9118042 0.83 615.4100952 0.14 618.7213745 0.19 621.4808960 0.17 624.3004761 3.08 625.3569946 1.49 626.5834351 0.17 629.5285034 0.12 630.3045044 0.08 634.4047241 0.65 636.3453369 1.36 637.1769409 0.55 639.6913452 0.05 640.4032593 0.17 643.4068604 0.32 648.5253906 0.10 651.3359375 0.19 653.7297974 0.16 655.3211670 0.37 657.1994019 0.10 659.4562378 0.12 664.8858032 0.26 667.3203735 0.20 669.3063354 0.27 675.1124878 0.29 676.8911133 0.53 677.8732300 0.40 679.2767944 0.13 680.2055054 0.09 680.8721924 0.12 682.4515991 1.31 683.6303711 0.52 684.4946289 0.22 686.2329712 0.32 687.6398315 0.65 690.5538940 0.40 694.6920776 0.05 696.1306763 0.36 697.6881104 0.12 698.4137573 0.10 703.9766235 0.24 705.2321777 0.35 708.6176147 0.05 709.8322144 0.11 710.4994507 0.12 712.6387329 0.11 714.3014526 0.78 717.4571533 0.27 722.5545044 0.51 723.6492310 0.35 724.7611084 0.30 730.8515015 0.34 732.1388550 0.30 733.0730591 1.38 734.0525513 0.47 735.7161255 2.06 736.7021484 0.29 738.7543335 1.15 740.9595337 0.13 741.7969360 0.35 744.0416870 0.07 748.1685181 0.80 750.5265503 0.32 751.5654907 0.35 752.5274048 1.68 753.9188843 0.22 754.6135864 0.55 755.3122559 0.13 756.4489746 0.24 765.0576782 0.15 766.8223267 0.97 768.1496582 1.86 769.3038940 0.55 770.1403809 0.03 773.0043945 0.23 774.6055908 7.07 776.0717163 0.22 777.1664429 0.74 778.3907471 1.23 792.9084473 0.05 794.8037720 0.15 797.1353149 0.19 804.5239868 0.10 811.5671387 2.13 812.5191040 1.93 813.2734375 0.31 815.1849365 0.25 816.6179199 0.30 818.4698486 0.24 823.2575684 0.23 824.4746704 0.10 826.0805054 0.13 830.4338989 0.12 835.6560059 0.14 836.8713379 0.34 838.5840454 0.22 842.0550537 0.10 844.5614624 0.11 846.0923462 0.24 849.1661377 0.25 852.7410278 0.12 854.3749390 0.12 856.4685669 0.11 858.4187622 2.26 859.0955811 1.65 861.9269409 0.45 864.0902710 0.23 864.7261963 0.61 865.7421875 0.50 867.8181152 0.35 868.8507690 0.55 870.6040649 0.10 872.5829468 0.39 875.4859009 0.15 881.5245972 0.06 882.5286865 0.57 883.8125000 0.14 885.1805420 0.03 893.9749146 3.80 894.8023071 0.46 896.1165161 0.56 897.3021851 0.10 901.2597046 0.37 902.3331909 0.15 907.4194946 0.31 909.4286499 0.47 912.5504761 0.25 915.1728516 2.00 916.1845703 0.83 919.1650391 0.71 920.0671997 0.39 922.8345337 0.21 923.8205566 0.53 924.4296875 0.31 925.6926880 0.19 928.6835327 0.21 930.1410522 0.52 940.2521362 0.21 941.5778198 1.03 947.5479126 0.23 950.6416626 41.01 951.6431274 1.01 952.8750000 0.32 953.6599121 0.41 954.4961548 0.10 955.9575806 0.49 960.1481323 0.95 960.8884277 0.50 962.4583130 0.10 965.5634766 0.64 971.0570679 0.58 977.3668823 0.40 978.3879395 0.19 980.3052368 0.46 987.5371704 0.55 992.5658569 0.08 993.6074219 1.22 994.4711914 0.16 996.9713745 0.18 1001.5272830 0.45 1006.1252440 2.71 1006.7397460 0.70 1009.7568360 0.59 1013.7337040 0.07 1015.1923220 100.00 1016.1006470 1.06 1016.7136230 0.72 1017.4893190 0.51 1019.0664670 0.46 1024.1149900 0.05 1025.6419680 0.23 1028.4851070 0.61 1035.1281740 0.44 1037.4731450 0.14 1043.8894040 1.36 1044.5616460 1.39 1045.2385250 0.15 1049.6993410 0.12 1060.8347170 0.34 1063.4182130 0.65 1065.6772460 0.24 1070.0135500 0.33 1076.4021000 0.10 1079.9099120 1.12 1087.8790280 0.14 1090.4050290 0.52 1105.6225590 0.15 1106.5706790 0.64 1108.5319820 0.96 1113.1911620 0.06 1117.1571040 0.08 1117.9792480 0.19 1119.0898440 0.18 1128.1630860 23.28 1129.2825930 1.35 1131.0953370 0.18 1134.1168210 0.09 1134.9353030 0.24 1146.4649660 0.05 1147.2795410 0.06 1148.0618900 0.17 1152.6981200 0.38 1153.7432860 0.16 1158.3990480 0.08 1165.7647710 0.20 1166.7227780 0.23 1170.6021730 1.31 1178.3471680 0.12 1178.9532470 0.05 1179.7330320 0.11 1181.9444580 0.05 1182.9316410 0.14 1183.7327880 0.08 1184.7458500 0.19 1214.7507320 0.23 1215.6523440 0.28 1216.9594730 0.11 1218.5429690 0.17 1236.7967530 0.14 1239.7160640 0.15 1256.2199710 0.07 1262.2984620 0.14 1264.6335450 0.74 1276.9510500 0.24 1293.4771730 0.09 1294.2385250 0.25 1295.5704350 0.32 1312.9549560 0.04 1316.8603520 0.11 1322.4731450 0.19 1343.1590580 0.13 1347.4871830 0.54 1348.4344480 0.16 1353.4630130 0.10 1365.6834720 0.23 1366.4576420 0.08 1393.6539310 0.15 1402.4958500 0.37 1424.5499270 0.14 1436.8775630 0.08 1458.1628420 0.17 1460.6527100 0.73 1461.8533940 0.43 1465.6818850 0.51 1474.6213380 0.18 1476.9429930 0.43 1535.7813720 0.11 1548.0933840 0.55 1549.0106200 0.31 1567.8680420 0.26 1571.8699950 0.13 1589.7966310 0.57 1590.9132080 0.18 1594.7125240 0.13 1624.8228760 0.06 1628.4104000 0.06 1629.0306400 0.11 1662.2764890 0.26 1665.1163330 0.10 1739.9398190 0.06 1757.9021000 0.56 1787.4141850 0.08 1789.1739500 0.19 1829.0476070 0.16 1900.0560300 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 541.14 Annotation Resveratrol 4'-(6-galloylglucoside) Peak:m/z Relative Intensity 157.2233429 0.27 160.9071198 0.28 161.9340668 0.11 171.0575867 0.10 179.0633392 1.40 180.0573120 0.14 191.0388947 0.05 192.0406342 0.04 221.1199646 0.26 222.0448914 0.12 223.0487061 0.07 233.0265808 0.10 234.2387390 0.03 235.4243317 0.03 251.0226746 0.09 280.8992920 0.53 283.2852173 0.04 323.2250366 0.73 341.1072998 2.18 342.1403809 0.66 343.0020752 0.32 356.9990845 0.02 359.2155151 0.02 360.2082520 0.14 361.0755615 0.12 377.2260742 1.24 378.1742554 2.40 379.2594604 5.60 383.2427368 0.51 384.3988647 0.42 385.3555298 0.23 395.2310791 0.06 412.6543579 0.08 414.2789917 0.23 414.9711304 0.04 425.2647095 0.05 443.1470337 0.31 444.2069702 0.22 486.3429565 0.02 503.2898560 100.00 504.2544556 58.92 505.3106689 17.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 401.16 Annotation Ferupennin M Peak:m/z Relative Intensity 118.1350098 0.07 122.9286270 0.43 131.1949615 0.18 132.7569885 0.13 135.1290131 0.34 144.1133118 0.08 144.8066406 0.09 146.0168457 0.06 147.9937439 0.04 151.0494690 0.30 153.1069489 0.13 159.1277771 0.41 163.0399780 0.28 167.0414124 13.58 168.9535217 0.04 172.0404053 0.12 173.0824585 0.41 175.0013123 0.12 177.2225037 0.12 178.9889526 0.23 181.0368958 1.74 182.7175903 0.07 183.3207397 0.11 184.9184875 0.05 187.0045929 0.54 193.1638947 0.33 195.1245880 0.43 197.1750641 0.06 201.9910889 0.09 205.1213379 3.81 207.1581421 2.01 209.1004639 1.20 211.2126617 0.21 215.0193481 0.14 217.1338501 7.93 219.0908508 2.78 220.2354736 0.17 221.1468201 0.37 223.3747711 0.52 226.0514526 0.05 231.1681824 0.90 235.1309509 0.72 237.0087891 0.04 247.1418457 5.87 256.0014954 1.21 261.0970764 0.13 263.0606995 0.40 270.3143921 0.13 277.2439270 0.08 286.9835815 0.16 289.4790649 0.10 291.3643799 0.69 293.4576416 0.17 297.8046265 0.14 299.2792969 0.08 303.3491516 0.06 304.9720459 0.07 307.0122681 0.05 309.1621094 0.40 310.1140137 0.60 310.7720642 3.56 313.0235596 0.04 315.1479492 0.12 317.0523376 0.16 319.0770569 0.92 320.3755798 0.19 323.2059937 3.02 324.3508911 0.40 327.1027222 0.15 330.0901794 6.34 331.1538696 6.86 336.1054077 0.23 338.2059631 0.06 339.1662598 1.72 340.6677856 1.13 341.3339233 1.10 343.2649536 0.72 346.6489868 0.50 349.7874756 0.19 351.1736450 12.46 352.2252808 0.22 355.4168091 0.18 356.6506348 0.35 357.4501038 0.16 359.1253967 0.20 365.6017151 0.57 367.5782166 0.10 369.1042480 18.57 371.1944885 4.98 373.1955261 5.14 376.6281433 0.53 381.3885193 0.12 383.1820374 100.00 385.0534058 0.17 386.4848938 0.17 391.9899902 0.31 392.6902466 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 519.21 Annotation Gossypol Peak:m/z Relative Intensity 160.017807 16.40 162.0435333 1.78 164.2130737 1.38 177.196167 4.40 179.0039825 1.64 211.1846008 5.12 227.275177 2.77 237.3231201 14.88 241.3137207 2.08 243.002533 1.15 273.3103638 2.51 291.1582642 3.35 306.2515259 1.21 319.25 2.13 326.3598022 2.19 327.4181519 2.57 339.5114136 4.08 341.6904907 5.98 357.5081787 3.25 367.0911255 4.28 368.3615112 6.09 375.1265259 2.33 385.3175049 24.67 386.2845459 11.36 387.2047729 1.30 397.3831177 2.43 398.1749878 4.22 399.3044434 2.34 400.671875 7.75 403.6055908 7.78 408.2653198 7.18 414.5780029 4.95 417.093689 1.46 427.659729 5.22 430.2529297 0.98 435.4193726 5.71 439.305603 0.99 456.4058228 3.03 458.2473755 5.37 474.4103394 1.42 483.2756958 29.83 484.5167847 4.82 501.2001343 100.00 502.4229736 13.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 515.1248 Annotation b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose Peak:m/z Relative Intensity 172.9716492 100.00 243.9841919 0.92 293.1619873 0.57 317.3333130 0.31 335.1271973 2.74 341.1578979 11.00 353.3037109 3.57 364.2963257 0.53 399.3027954 0.64 425.2191162 0.66 453.0206909 6.00 455.3117065 1.76 479.2122192 7.43 497.0401611 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 866.4591 Annotation Unknow Peak:m/z Relative Intensity 250.3065338 0.26 252.2158813 0.02 264.2965698 0.01 265.1917419 0.06 266.1189880 0.78 267.1099243 0.28 272.2791138 2.69 273.1682739 0.37 278.3068542 0.06 282.3338013 0.19 284.0785217 0.28 286.1822205 0.06 294.4674072 0.03 295.3390503 0.10 296.2393188 0.15 298.2003174 0.02 301.3045349 0.06 302.2190552 0.02 304.9748840 0.03 308.0998535 0.03 308.7851562 0.07 310.3306885 0.22 311.3909302 0.11 312.2905273 0.03 321.8162231 0.05 322.9986572 0.20 324.1899414 0.04 326.1088867 1.23 327.2182007 0.20 328.4408875 0.05 329.2114868 0.03 330.8975220 0.03 332.1675110 0.07 334.1919250 0.14 335.3256226 0.02 336.0108643 0.02 337.1767578 0.46 338.2067261 0.17 339.4689026 0.08 340.9094238 0.20 343.4846802 0.04 344.1568604 0.05 346.2386475 0.07 349.2431030 0.08 351.3638000 0.20 354.1602173 0.04 355.0910034 0.19 355.9115601 0.02 365.2880859 0.12 366.6732178 0.16 367.4266968 0.29 369.2620239 100.00 370.3476562 13.87 371.1624146 0.02 378.9049072 0.07 379.5086670 0.04 380.8577271 0.11 382.0195007 0.05 383.1843872 0.05 383.9586182 0.04 384.5643005 0.05 387.3458252 0.05 391.0758057 0.03 392.3904419 0.06 393.1185913 0.02 397.2258911 0.21 398.2865601 0.06 399.2108765 0.04 403.0311890 0.06 406.2243042 0.09 407.1499634 0.24 408.3325806 0.23 409.2968750 0.91 410.1680298 0.05 411.3092651 0.03 417.2830811 0.10 420.5176392 0.04 422.1090698 0.02 424.1651001 0.04 425.3276367 0.05 426.2585449 0.12 427.2785645 0.39 428.5935669 0.02 431.1751099 0.02 432.0500488 0.01 434.2597656 0.24 435.2859497 0.18 436.0962524 0.26 437.9759521 0.21 439.4704590 0.14 443.8475952 0.02 448.2814941 0.44 449.8279419 0.36 450.8817139 0.07 452.3585815 0.91 453.3496094 0.19 454.2673340 0.19 455.1477661 0.12 458.4067993 0.04 460.5233154 0.09 461.4413452 0.04 462.2989502 0.16 463.2911377 0.21 466.4722290 0.04 470.2715454 10.64 471.3294678 2.42 476.3335571 0.26 478.2170410 1.94 479.0912476 0.66 480.2235718 2.61 481.3929443 0.54 487.2595825 0.06 491.3757324 0.07 494.4290161 0.04 495.9227905 0.08 496.5630493 0.08 498.2682495 7.45 499.2537842 1.14 499.8737793 0.03 505.1760254 0.13 507.7485962 0.09 519.4222412 0.04 524.4583130 0.14 525.3696899 0.21 531.4082642 0.03 533.2631836 1.28 534.4033813 0.35 544.4239502 0.11 549.2041016 0.19 550.0711060 0.13 551.3344116 1.28 552.4130249 0.35 555.7831421 0.03 559.6540527 0.10 560.4180908 0.03 561.3585205 0.04 563.2169189 0.16 564.7086792 0.03 566.9906006 0.06 567.7147217 0.17 569.3732910 0.06 570.0175171 0.03 573.2642212 0.05 577.3098755 3.21 578.3751221 1.28 581.2765503 0.83 582.4882202 0.36 583.5031738 0.76 584.4800415 0.37 585.5136719 0.14 590.3325806 0.01 595.3016968 3.59 596.4550171 0.79 599.2859497 2.12 600.2032471 0.18 603.4769897 0.05 604.4215698 0.01 605.1193848 0.04 616.4531250 0.48 617.1895142 0.05 620.4050903 0.07 626.1835327 0.03 637.5909424 0.01 639.3359985 0.04 644.2990112 0.25 645.4016724 0.24 646.7056274 0.01 648.1834717 0.09 651.3185425 0.05 656.3991089 0.03 663.5505981 0.07 672.4679565 0.06 673.2700806 0.05 674.3029175 0.35 675.6693726 0.04 679.0641479 0.03 679.9828491 0.14 680.6156616 0.31 681.3438721 0.10 683.9586792 0.01 685.6149292 0.10 686.7269897 0.06 688.3306274 0.01 692.5940552 1.33 693.5729980 0.14 698.4837036 0.50 699.3929443 0.07 700.9859009 0.04 701.6514893 0.22 702.3771362 0.17 704.1598511 0.04 705.5621948 0.07 714.6201172 0.15 715.4259644 0.12 716.9362793 0.05 717.9629517 0.09 719.3776245 0.61 720.3882446 0.30 727.7155151 0.04 728.4726562 0.03 731.1578369 0.11 735.3515625 0.29 736.5007935 0.29 738.1888428 0.04 745.4729004 5.00 746.4583130 2.84 759.3170776 0.04 763.4286499 20.29 764.5421143 8.82 769.8428345 0.04 771.4064941 0.11 774.1078491 0.42 776.8558960 0.22 778.6477661 0.08 779.5937500 0.03 785.8975220 0.06 795.3145142 0.60 796.4347534 0.09 805.4055176 0.05 813.2058105 0.11 816.2987671 0.48 822.4887085 2.12 823.3769531 0.82 827.2273560 0.23 830.6539917 0.11 831.4983521 0.27 833.8815918 0.07 834.4995117 1.25 835.5756226 1.02 848.4827271 14.76 849.5017700 6.79 850.4451294 0.05 867.2032471 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 716.69 Annotation Unknow Peak:m/z Relative Intensity 213.1140442 0.32 296.8050537 5.35 331.2693481 0.21 350.3330078 0.22 357.1868286 0.17 380.0693359 2.19 380.6732788 27.62 381.3375854 0.07 449.2590332 0.14 450.7482910 0.19 459.9494629 0.15 462.1441040 0.37 464.0952148 6.49 464.7002563 38.83 477.8193359 0.09 493.2360229 0.18 536.3348999 0.28 537.2158813 1.00 538.3905640 0.18 545.9425659 0.24 548.5178833 100.00 553.4069214 0.26 554.1109619 0.38 555.3161011 0.35 573.1434937 0.15 583.6528320 0.10 615.0354614 0.13 626.1469727 0.12 627.3027344 0.22 629.8378296 1.51 631.7706299 16.92 632.5075684 73.88 633.3215332 0.36 638.0857544 0.21 639.0304565 0.04 641.1599731 0.08 656.6291504 0.20 669.9354858 0.13 673.0852661 0.37 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 325.11 Annotation D-Fructofuranose 1,2':2,3'-dianhydride Peak:m/z Relative Intensity 96.9818497 0.35 108.7805099 0.37 111.0660858 0.09 117.8448639 0.06 119.7137680 0.06 120.8598099 0.09 127.0346527 0.54 138.8848724 0.09 143.6961823 0.05 144.8831787 0.52 147.1745300 0.08 148.9370422 0.04 161.0956726 0.10 163.0776978 1.02 164.8459167 0.26 165.9682922 0.06 166.8457031 0.03 180.1519470 0.07 184.1234589 0.32 185.0443268 0.08 185.7538300 0.04 189.7696533 0.06 191.1127014 0.12 192.7957458 0.07 194.8310547 0.03 197.3572998 0.05 198.8057861 0.58 199.9861755 0.06 204.0435181 0.10 210.8186340 0.18 212.1434021 3.48 213.1773987 0.78 216.9663086 0.80 219.7239380 0.06 222.9464111 0.21 224.3535461 0.04 228.8799438 0.42 232.9891357 0.08 234.0409241 0.29 234.9346008 0.25 236.0754395 0.07 237.0595703 0.20 237.7111816 0.05 240.0174866 0.52 241.0927734 0.21 246.1874084 0.13 247.0328674 0.12 250.7398071 0.09 252.1768799 0.54 252.9078979 0.95 253.6445618 0.29 255.8223267 0.04 256.6009216 0.06 258.2816162 0.66 259.1960449 0.90 260.9809570 0.23 262.6943054 0.11 264.1690674 0.46 265.2375488 0.16 268.1246643 100.00 269.2058105 17.00 271.1373901 2.06 273.3307800 0.30 276.8437805 0.06 278.9759827 0.76 280.3997498 0.42 281.6272888 0.55 283.2724304 0.12 283.9855042 1.73 284.8625488 2.10 287.4759521 0.24 288.8358154 8.92 289.5226135 0.16 291.2484436 0.18 294.9411011 0.85 296.3959961 0.36 297.5982666 1.16 298.2098083 0.08 300.1016846 0.38 300.7106323 0.10 301.5648193 2.26 302.5281067 1.27 304.1320801 3.68 304.9510498 2.00 306.3063660 0.43 306.9551086 2.23 308.1969604 0.82 309.2295532 1.05 310.0602722 0.60 311.1039124 1.47 312.4015503 1.28 313.3570557 0.69 314.1364136 0.04 315.4954834 4.99 316.4977417 0.73 318.6257019 0.96 319.9154358 0.37 323.9485168 0.40 324.9079590 1.32 325.9537354 0.28 333.6183777 1.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 605.88 Annotation Unknow Peak:m/z Relative Intensity 177.0747223 0.05 187.9685059 0.03 189.1365662 0.15 193.0404053 3.75 194.1217346 0.25 210.1869812 0.07 212.1107941 0.03 214.6708374 0.03 217.2448730 0.04 227.2590332 0.04 233.0479889 0.12 234.0412445 0.34 245.1849213 0.03 248.3785095 0.15 251.0375061 31.73 252.2075043 1.26 274.0135193 0.03 285.1843872 0.18 293.2719727 0.07 306.4100952 0.13 307.1480103 0.03 308.3316650 0.08 313.1720581 0.22 313.9107056 0.34 314.9266357 0.14 323.3000793 0.11 324.2008972 0.23 329.1741943 0.04 341.3269043 0.33 355.0888672 0.15 358.9376831 0.04 377.1524658 0.56 378.3601074 0.03 379.1908569 0.03 395.2271729 0.21 396.4221802 0.06 400.6602783 0.10 401.3715820 0.08 404.3811646 0.02 413.2569580 1.18 414.2866821 0.14 422.9838257 0.05 424.2797852 0.04 425.6018677 0.23 427.8918457 0.07 443.0759277 100.00 444.1371460 7.33 452.8837280 0.03 454.9365845 0.09 475.2653809 0.20 484.8173218 0.06 485.4643555 0.06 486.1585083 0.04 491.0365601 0.12 491.8837280 0.12 492.7105103 0.10 495.3426514 0.17 499.2046509 0.23 500.0172729 0.12 502.8362427 0.16 509.0902710 0.72 510.0524292 0.08 511.8804932 0.08 512.5134277 0.11 514.4074097 0.14 518.3001099 0.75 519.0435181 0.09 520.0552368 0.02 521.1036377 0.29 522.1780396 0.03 544.6664429 0.20 545.9945068 0.20 547.0986938 0.02 551.1893921 0.21 555.6953125 0.08 559.7953491 0.17 561.4471436 0.03 563.4846802 0.04 564.7583618 0.08 568.6638794 0.41 569.9789429 0.23 571.5020142 0.26 573.0862427 0.08 578.5674438 0.06 579.9525757 0.13 587.1996460 1.35 588.1492310 0.47 589.6483154 0.14 590.9572144 0.15 597.1622925 1.66 598.1354370 0.13 601.5649414 0.08 614.0148315 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 533.1359 Annotation Unknow Peak:m/z Relative Intensity 171.2663116 0.12 191.0077820 100.00 515.1940308 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 290.85 Annotation Unknow Peak:m/z Relative Intensity 122.8902435 2.39 206.8811951 100.00 219.9274902 0.02 272.9258423 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 558.2105 Annotation Acrimarine-N Peak:m/z Relative Intensity 157.9736938 0.05 159.0473328 0.14 159.9425354 0.04 160.9931183 0.42 161.8925934 3.82 162.9722443 0.84 164.0961609 0.32 166.0951843 0.04 169.9554596 0.16 172.8684845 0.16 174.0124207 0.06 177.0604248 0.35 179.0531158 12.74 180.0557251 0.67 185.0685577 0.06 186.9686737 0.21 187.8348846 0.02 189.0664062 0.06 193.3617859 0.08 199.1347961 0.44 203.0624237 0.94 204.3188782 0.04 206.4141693 0.36 207.1392975 2.32 208.1291504 0.41 211.1113586 0.09 212.9595642 0.09 215.1038208 1.03 216.0953979 0.12 217.1018524 0.53 218.1897583 0.03 223.9312439 0.11 225.3616791 0.06 226.8837280 0.17 229.2519226 0.09 231.2351990 0.04 231.9001770 0.04 232.9965515 5.02 234.0450745 0.83 235.1572876 0.07 239.1790161 0.02 245.0842590 0.17 246.2304535 0.12 247.0951385 0.10 249.1243591 0.18 250.9734650 19.18 252.0335388 3.14 253.1623535 0.10 254.1639252 0.07 256.4595947 0.05 261.1785889 0.06 262.3669739 0.05 263.4045105 0.10 265.1199341 0.06 266.1869812 0.02 267.3417358 0.03 268.4066162 0.04 269.9633179 0.13 271.3369141 0.14 272.3653564 0.21 273.9958496 0.22 277.3709412 0.04 288.3916016 0.04 290.1831970 1.41 291.1221619 1.27 292.0799255 0.57 297.5728760 0.38 298.5448608 0.20 302.1782227 0.10 304.1453247 0.06 306.2426147 0.68 308.1001587 100.00 309.0978394 31.50 310.0806274 5.03 310.7722168 0.06 312.1684570 0.78 314.3499146 0.14 315.2620239 0.19 317.0603027 0.03 318.0232544 0.03 325.9760742 5.72 327.1217651 5.43 328.2386475 0.74 328.9624023 0.17 330.4226074 0.16 332.2947998 0.12 332.9564819 0.08 336.2222290 0.18 342.1479492 0.46 345.4850464 0.12 346.2722168 0.64 347.1179810 0.09 353.5684814 0.05 354.2019043 0.09 355.2619629 0.22 356.2879028 0.05 363.0952148 1.42 364.0964355 0.99 365.1977539 0.10 365.9804688 0.08 367.1660767 0.03 369.4013672 0.12 370.9687500 0.04 374.4389038 0.09 375.8032837 0.13 378.5908203 0.13 381.3056030 1.18 382.3740845 0.31 383.2492676 0.29 384.0545044 0.07 385.3475342 0.04 386.3181763 0.05 387.4152222 0.15 389.1712646 0.04 391.2954102 0.07 392.3938599 0.15 393.7839355 0.20 394.9434814 0.23 397.2581787 0.22 397.8811646 0.06 399.2105713 0.16 403.1282349 0.10 406.8182983 0.05 409.2509155 0.27 411.1146240 23.22 412.1686401 4.24 413.3641357 0.06 414.5065918 0.20 415.4794312 0.09 419.2185669 0.07 421.0299683 0.16 424.3339233 0.03 425.1554565 0.38 426.2479248 0.58 427.3300171 0.89 429.0964355 64.45 430.1797485 12.69 434.3693237 0.04 437.5890503 0.43 438.2226562 9.20 439.2064819 2.28 441.3159790 0.32 450.9404907 0.31 452.0181885 0.09 452.8051758 0.20 454.3431396 0.14 456.2516479 2.60 457.3068848 0.32 460.3356934 0.08 462.6296387 0.04 465.1406860 1.83 466.2463989 0.34 468.0010986 0.04 469.1896362 0.72 470.2412109 0.35 471.4982910 0.26 474.4725952 0.12 475.1438599 0.04 477.7570190 0.23 478.4049072 0.11 483.2581177 4.55 484.1270142 1.35 485.9597778 0.10 489.8926392 0.15 490.8859863 0.29 492.2380371 0.03 493.5243530 0.27 494.5742798 0.58 497.3538208 0.05 498.9426270 0.15 500.2098999 0.28 502.5464478 0.11 504.6253052 0.04 505.3524780 0.08 506.9094849 0.33 508.4340210 0.02 514.6529541 0.26 519.6073608 0.32 521.5368042 0.04 522.1863403 0.26 523.5076294 0.29 526.1450806 0.21 527.4091187 0.36 528.4917603 0.08 529.3023071 0.12 531.4882812 0.03 532.1575928 0.07 535.2852173 0.25 536.7911377 0.28 538.2066040 0.05 540.1766357 17.54 541.1629028 5.53 541.9862671 0.04 543.5635376 0.26 546.4020386 0.20 548.5841675 0.20 549.8571167 0.75 550.5557861 0.38 556.0515747 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 649.2307 Annotation Unknow Peak:m/z Relative Intensity 208.9581451 0.05 220.9448700 0.03 232.8054504 0.08 235.0386200 0.08 263.2073975 0.09 323.0541992 0.19 341.2171631 0.63 370.4617310 0.08 383.1406860 0.04 413.1426392 0.05 425.3143311 0.07 442.7868042 0.28 444.3198242 0.05 475.3144531 0.04 486.8973389 0.04 503.3271484 100.00 504.3377686 0.03 509.0921021 0.04 529.2427979 0.11 530.0426636 0.12 545.6193237 0.44 559.1355591 0.07 560.2514038 0.04 588.2111816 0.03 589.2421875 0.20 605.0797729 0.17 606.7075195 0.06 612.8783569 0.05 631.0454102 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 382.84 Annotation Unknow Peak:m/z Relative Intensity 125.1007385 0.05 128.8554840 6.22 130.9745026 1.98 212.7517853 3.86 214.7937012 3.59 260.8049316 0.08 296.7705078 31.77 298.7816772 100.00 337.5128784 0.08 341.1235962 0.50 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 498.1549 Annotation Unknow Peak:m/z Relative Intensity 143.0057373 0.54 146.0734558 0.02 149.1743774 0.04 153.1686859 0.03 159.9841614 1.41 164.1773071 0.03 166.4456177 0.08 167.0812073 0.26 170.1317291 0.18 171.0075073 0.15 177.0891571 1.20 179.0793762 1.84 185.2012787 0.02 192.1438599 0.20 192.8679504 0.03 197.1893311 0.32 210.1455841 1.49 211.0815430 0.10 212.9112091 0.20 226.2290955 0.03 228.3914948 0.02 231.2036591 0.07 236.0824432 0.21 242.1541290 0.15 254.1787415 9.17 272.1974182 12.20 288.1535645 11.35 306.1069641 100.00 369.1810303 0.02 423.1663818 0.02 480.0110779 0.64 480.6766052 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 374.1073 Annotation DIMBOA-Glc Peak:m/z Relative Intensity 109.1224060 0.14 114.9112015 0.16 118.9788971 0.69 119.8073730 0.23 122.9653473 0.54 123.8432159 0.42 126.1484680 0.13 129.1708374 0.96 130.0474091 0.48 135.9941864 3.65 142.9898376 0.45 143.9681396 1.92 145.1306458 0.31 147.0002747 2.56 148.0391541 0.45 149.9180908 0.14 156.1262817 0.66 156.9051819 0.52 159.2406158 0.27 161.0401001 4.02 165.0473938 13.40 167.0548706 0.07 169.2541504 0.24 171.0782471 0.62 172.2200317 0.33 174.0892029 0.16 175.0874634 1.01 177.1105652 0.76 180.0136871 1.07 181.9870453 100.00 183.0261230 0.19 184.3519592 0.14 185.6622620 0.50 189.2489319 0.12 192.9731598 0.41 194.1759949 0.47 195.0268402 1.09 196.4313660 1.11 197.1053772 0.15 198.0926819 10.86 199.2310181 0.09 200.2193604 0.66 201.8224487 0.15 208.3539734 0.43 211.1042786 0.21 212.0313721 1.05 213.1504974 0.78 214.0711365 0.84 214.9272766 0.22 216.3149109 0.12 217.1862183 0.57 222.9902954 0.25 224.1025085 0.11 225.9679260 0.09 227.2153931 0.65 228.0694885 0.34 228.9040833 0.11 230.9633484 0.21 231.8978882 0.54 235.2677307 0.16 237.1703491 0.07 239.3502197 0.39 243.0103760 0.08 244.3708496 0.22 245.1835022 0.58 246.1422119 0.66 248.3244324 0.21 254.0693665 0.79 255.1212463 0.72 257.9304504 0.14 260.2662659 0.93 261.4611206 0.27 262.4229736 0.17 263.2668457 0.23 268.4200134 0.51 269.1960144 0.45 270.3621216 0.20 272.3862305 0.75 274.2373657 1.34 275.2548828 0.18 277.2231140 0.33 278.2579346 0.74 280.3699951 0.40 284.1837158 0.72 285.1927490 1.03 292.7379761 0.56 298.2574768 1.24 299.1721191 1.76 300.3099670 0.30 301.2008057 0.12 302.2120972 0.26 303.1826782 0.09 304.4133911 0.13 307.2110596 0.48 308.9655457 0.58 310.3167419 0.54 311.1726074 0.36 312.2566528 1.54 314.1840820 0.18 315.5468750 0.35 316.3030701 0.35 320.4312744 0.82 322.4219360 0.25 324.2716370 0.16 324.9676208 0.09 326.0568848 0.58 328.2051392 1.16 329.7611694 1.06 330.4330139 0.13 332.3933411 0.23 338.3410034 0.58 339.2256775 1.13 340.2131958 0.19 341.9098816 0.37 345.0302429 0.29 348.1566467 0.17 355.1340637 1.44 356.1494751 10.22 357.2527771 5.32 365.1119080 6.37 365.8042297 1.84 366.8957214 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1277.5807 Annotation Scillanoside L2 Peak:m/z Relative Intensity 365.4477539 0.02 393.6129150 0.02 407.0822754 0.01 409.4376526 0.02 425.1992798 0.02 432.1365051 0.02 441.7336121 0.05 457.3735046 0.03 467.3250122 0.64 468.5207520 0.04 485.4172363 0.03 500.4662170 0.03 542.3383789 0.02 629.6483154 0.05 647.5010986 0.62 648.5799561 0.04 689.2359619 0.01 725.7644043 0.02 732.4226685 0.01 743.3097534 0.01 755.4529419 0.07 756.7928467 0.02 765.8856201 0.04 791.4816284 1.33 792.6594238 0.14 809.4995117 100.00 810.5931396 6.18 811.6652832 0.02 848.3913574 0.02 851.4613647 0.88 852.6041260 0.07 888.4752197 0.01 891.6273193 0.17 892.6732178 0.02 953.1483154 0.03 971.4177246 0.01 1013.5083010 0.03 1059.5400390 0.02 1086.0822750 0.01 1132.7111820 0.09 1133.6893310 0.10 1134.4727780 0.05 1175.7929690 0.01 1189.5855710 0.02 1215.5377200 0.03 1218.0947270 0.01 1246.1767580 0.01 1259.3780520 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1085.52 Annotation Albiziasaponin D Peak:m/z Relative Intensity 323.1955261 0.42 363.3507385 0.11 365.1347961 0.10 395.3305054 0.43 406.9373779 0.08 441.5389709 1.02 449.0875854 0.14 466.3548279 0.16 467.1892090 1.43 485.5285645 0.34 555.5010376 0.35 563.5165405 0.19 573.6652222 1.40 617.4486084 100.00 618.0867920 0.17 651.3312378 0.39 659.1723633 0.33 743.3702393 0.29 753.5839844 0.17 761.5737305 0.07 763.2536621 0.19 772.2086182 0.23 807.3487549 0.48 863.1318359 1.01 906.8123779 0.20 918.3480225 0.32 923.4675293 0.59 941.3544922 4.41 949.7022705 0.09 962.6345215 0.44 965.7227783 0.12 968.9056396 0.73 969.6201172 0.17 980.6010742 0.05 983.5661621 0.29 995.5942383 0.31 1001.0247800 0.13 1012.5439450 0.23 1020.1114500 0.15 1023.4108890 0.30 1037.7294920 0.34 1041.2617190 0.27 1048.3447270 0.34 1050.2875980 0.81 1051.4997560 0.19 1054.5256350 0.82 1055.9758300 0.21 1057.2503660 0.33 1065.9475100 0.16 1067.2143550 1.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 547.1665 Annotation Genameside C Peak:m/z Relative Intensity 161.1053162 0.44 162.2078247 0.10 163.0750275 0.84 164.0860748 4.27 165.2351685 0.22 166.0368652 0.10 173.0335236 1.08 173.9658508 0.13 175.0384369 3.02 175.9527893 1.67 176.9924316 0.09 179.1137848 2.80 180.0499573 0.16 181.1746826 0.20 188.1558685 0.06 189.1051025 0.95 190.1113434 16.78 191.1240845 2.96 191.8811951 0.15 193.0097351 1.83 194.1940613 0.31 197.1289978 0.07 203.1048584 1.32 205.0221863 78.81 206.1664581 12.13 207.4179230 1.68 208.1106720 5.85 209.1522217 2.30 210.2368927 0.07 215.2501373 0.08 218.0202332 0.57 219.3470001 0.12 221.1600342 2.73 223.0574951 100.00 224.1242676 15.17 225.2365417 0.11 232.8649292 1.64 234.3120117 0.25 236.0615234 0.14 237.1564331 1.04 238.1970367 0.38 239.3253784 0.08 244.8269806 0.04 247.1843262 2.84 248.1829681 0.33 249.1917114 0.42 250.1716614 0.73 251.1346130 1.40 252.2852173 0.25 261.2040405 0.47 263.5579224 0.26 265.0792236 49.23 266.1795349 8.79 271.0762939 0.10 277.0164490 4.06 278.2697144 0.60 278.9807129 0.08 281.0829773 0.87 282.3020020 0.13 286.1962280 0.29 287.2396545 0.37 288.0894775 0.13 289.1814575 1.14 290.9891968 0.19 295.1123047 36.66 296.2652588 5.83 307.0451050 0.24 308.4409790 0.25 311.2857056 0.43 319.2894897 0.42 323.1368408 3.27 325.1058960 30.58 326.1682129 5.98 327.3776855 0.64 334.5377197 0.12 337.1846924 1.00 341.1533813 5.05 342.2380371 1.24 347.0540771 0.08 349.2269897 1.69 350.2190552 0.22 351.9370728 0.13 353.0253296 0.17 367.1884155 39.90 368.2166138 11.45 385.0881348 27.26 386.2098999 3.85 398.1418457 0.08 410.2586060 0.31 415.4614868 0.06 431.0285034 0.57 433.2192993 0.06 451.0681763 0.25 457.3921509 0.20 468.3772583 0.07 472.2847290 0.27 473.4542236 0.20 474.6174927 0.51 501.4704590 0.33 502.2318726 0.31 502.8545532 0.42 504.3599243 0.12 512.3613281 0.09 513.4033813 0.43 516.6143188 0.07 518.5288696 0.20 529.2176514 0.23 530.4505005 1.07 532.2273560 0.68 533.1732788 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 496.2448 Annotation N1,N10-Diferuloylspermidine Peak:m/z Relative Intensity 149.0754852 0.99 158.9360046 0.12 175.0859070 0.18 204.0461426 0.08 245.1075897 0.02 246.9701843 0.07 249.1071777 0.07 287.4281616 0.02 288.3440247 0.05 299.2611084 0.17 301.4564209 0.02 302.2882080 0.05 303.2555847 0.65 310.5187683 0.03 320.3334351 0.33 324.6381836 0.04 330.6618652 0.79 331.3416138 4.93 334.4496460 0.05 341.4458618 0.07 342.3008423 0.25 346.2524414 100.00 347.3253784 0.20 436.3690186 0.09 449.2507019 0.05 450.2245178 0.24 453.5426331 0.09 454.3548889 0.20 460.2444763 0.04 475.2923279 0.31 477.3590698 0.07 478.5361023 0.06 481.4076843 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 634.22 Annotation 3'-Sialyllactose Peak:m/z Relative Intensity 191.1842346 0.64 192.9178162 1.75 212.8596802 0.32 219.0812378 0.20 231.0244751 0.09 237.0191650 1.94 254.9549255 7.00 270.6138916 0.22 273.0466919 5.98 280.0598755 0.96 282.3913574 1.48 283.0217896 7.51 288.9038391 0.19 290.4133301 1.55 291.1162109 0.68 292.2362671 0.16 294.2548828 0.19 300.9911804 17.86 302.1705933 0.12 307.1635742 0.33 311.3376770 0.26 319.0427856 22.87 327.5550537 0.08 336.9484253 100.00 337.5912476 0.23 339.0892334 0.33 349.9995117 0.31 354.8040771 0.98 372.1486206 0.28 378.2324829 0.11 398.0275269 0.29 413.1830444 0.22 414.7487793 0.06 427.2753296 0.40 436.0181885 0.90 441.2169800 0.09 445.1425781 1.05 453.9887695 5.95 455.4725952 0.22 457.0329590 0.14 462.6870728 0.68 469.3057251 0.25 472.0414429 9.58 472.7023926 0.09 481.2482910 1.25 487.2247925 0.27 498.5889893 3.27 499.2622070 0.16 504.4069214 0.89 505.4275513 0.17 513.8550415 0.09 516.6221313 0.12 526.5997925 0.23 545.4153442 0.28 562.5225220 0.17 565.8471069 0.50 568.2287598 0.56 573.9981689 0.28 580.3817139 0.39 615.3831177 0.60 616.3086548 0.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 308.09 Annotation Glutathione Peak:m/z Relative Intensity 99.0127411 0.06 115.9462204 1.00 130.0886536 0.06 143.9873352 2.79 145.0605774 0.06 145.9703369 0.03 147.1279907 0.06 159.0293579 0.05 159.9322052 0.06 161.9252167 23.14 168.7254181 0.04 170.9306946 0.06 172.0160980 0.09 178.9331665 100.00 181.9181671 0.02 186.9431000 0.09 205.2620239 0.03 215.0424805 0.27 219.8678589 0.07 227.1827393 0.10 228.1293945 0.03 233.0906677 15.76 245.1268311 1.09 247.2416687 0.02 254.0022888 0.09 261.9825134 0.06 272.0817871 0.92 290.1497192 5.67 291.0979614 1.56 291.7413635 0.05 298.9780884 0.10 299.7577820 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1303.6 Annotation Unknow Peak:m/z Relative Intensity 425.5097656 0.07 467.2561035 0.54 569.5994873 0.09 613.5513916 0.65 631.5648193 3.65 637.4308472 0.03 673.5645752 0.07 686.3963623 0.03 697.2623291 0.11 757.4491577 0.03 775.4980469 4.22 776.0985107 0.06 793.5170898 8.40 794.2006836 0.07 817.7238159 0.45 833.6158447 0.10 835.4635010 100.00 836.1956787 0.21 877.5434570 0.61 912.6124268 0.03 917.6843262 0.06 954.7565918 0.03 1090.8872070 0.09 1096.7943120 0.11 1118.6657710 0.05 1159.3809810 0.10 1201.2761230 0.08 1216.8444820 0.08 1217.6993410 0.08 1227.3474120 0.10 1241.2991940 0.08 1259.4791260 0.08 1285.1166990 0.08 1285.7739260 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 88.97216797 2.26 92.8249054 0.98 101.0444946 0.46 105.1488037 0.28 109.0529785 0.72 114.9405823 2.99 117.1213837 0.56 122.972641 0.68 137.1913605 0.78 146.8428497 1.35 149.0761108 1.53 150.0498199 0.70 155.1588593 0.71 159.0890961 0.51 161.0404663 4.53 163.194519 5.49 165.223526 0.31 171.1049957 0.99 177.2668915 3.71 178.987442 2.51 181.0620422 1.09 184.154953 0.62 187.2424164 0.65 189.2232666 1.78 190.9269867 4.64 195.4022522 1.72 205.1592865 10.96 206.2089844 1.44 207.1252289 14.25 208.1407623 9.11 209.095459 5.90 210.1565704 1.20 214.9453278 0.82 220.3050842 1.07 221.2756805 1.30 222.0302887 7.60 223.0509796 16.76 224.1299286 1.30 233.1130371 20.44 235.0117798 0.88 244.9543915 1.07 251.0671844 100.00 252.1797028 10.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 496.2434 Annotation Spirotryprostatin C Peak:m/z Relative Intensity 140.9619751 0.06 148.9863434 0.04 150.1380005 0.05 152.0034485 0.21 152.9294739 0.28 153.9669189 0.33 155.0094147 19.81 156.2846069 0.08 157.0955200 0.11 160.1305542 0.28 170.0981750 0.04 172.1606445 16.77 173.3562012 0.41 176.9886627 0.68 178.1272583 0.49 184.1242981 0.48 191.2096252 0.64 192.1263123 0.09 196.0459290 0.04 198.1495361 20.24 199.2606201 0.28 201.0847015 0.87 202.0151062 0.08 203.0939941 0.05 206.1632690 0.53 208.9476318 0.48 210.1803589 0.89 211.0343323 0.29 217.1579590 0.57 223.1438599 1.76 224.1743774 0.29 227.1379089 0.57 233.0706177 0.73 234.1522522 0.58 236.9728699 0.13 239.2011719 0.21 246.9378662 0.76 248.2976532 0.51 251.1552734 0.75 252.0236206 0.14 253.3421936 0.06 256.2431030 0.51 261.1168823 0.07 261.9838867 0.18 264.2844238 0.44 265.0184021 2.21 265.9296265 0.70 268.9482117 0.23 271.6068420 0.53 272.8769531 0.19 274.2132874 2.15 275.0982056 0.70 275.8634644 0.11 279.3309937 1.08 281.3278809 0.45 282.0425110 0.18 283.3943787 0.22 286.0119629 0.22 288.3049316 0.04 292.0552673 0.55 293.1698608 6.85 293.9711304 0.58 296.2112427 0.11 297.1417847 1.61 299.2688599 1.37 303.1654358 0.07 304.1064148 0.28 305.0252686 0.18 307.1538086 22.56 308.2360840 0.78 309.1815796 0.27 309.8389893 0.11 312.5248718 0.17 315.3989868 0.11 321.0808411 0.05 322.8682861 0.27 325.2059631 41.15 326.4661255 0.59 327.2240295 1.78 331.2352600 0.79 332.4494629 0.14 333.9552002 0.18 343.2331543 0.40 344.2285767 0.32 345.3427734 0.92 349.6769409 0.20 351.0872803 2.43 352.2717896 0.05 353.7525940 0.35 355.1839600 0.04 360.3691406 0.15 361.4738770 0.09 364.2346497 0.14 370.2206421 0.41 371.0430908 0.22 372.3844604 0.39 373.6040344 0.04 375.2829895 0.08 376.3652649 0.32 377.9720764 0.13 380.1844482 0.52 382.2444763 100.00 383.3244324 1.95 384.3565063 0.16 396.2760010 4.93 397.1245728 0.60 398.1044006 0.16 400.8731995 0.05 407.2771301 0.45 408.2461548 19.18 409.3376160 0.47 421.3266296 0.87 422.4141846 0.36 423.0970154 0.42 425.2685242 4.75 427.3688660 0.65 432.5744629 0.38 433.2968445 0.16 439.3069763 0.93 441.2550659 0.54 444.6408691 0.04 449.4492493 0.23 452.0806580 0.71 452.7827454 0.86 454.5653381 0.40 457.0006714 0.51 458.4048157 0.62 459.1617432 0.11 460.8992920 0.34 461.6835632 0.13 465.3481140 0.82 468.3753357 0.27 472.6241150 0.07 477.3113708 0.13 478.4978333 8.93 479.4263000 24.50 480.4695435 1.07 485.7743835 0.07 487.3231812 1.12 488.1351624 0.82 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 349.1138 Annotation Prodiamine Peak:m/z Relative Intensity 99.0642929 0.37 103.0289841 0.20 108.9553909 0.17 113.0001068 7.03 119.9480896 0.28 121.0134735 0.08 127.1763153 0.05 129.0142365 0.27 130.9820862 0.11 156.9711914 0.38 171.2950592 0.24 175.0340881 2.42 185.0023956 0.27 189.0571289 0.61 193.3157654 0.06 202.8807983 0.26 205.0546570 0.41 223.2582092 0.35 231.0388184 8.22 231.6761780 0.03 233.0093994 0.16 234.1271362 0.04 242.5008545 0.10 249.1115417 100.00 254.0746765 0.05 259.0875854 0.13 267.1674194 24.91 273.3051147 0.14 277.1904907 0.06 287.0766602 0.09 289.1646729 1.78 290.2475281 0.06 296.2298584 0.07 302.4867554 0.10 303.0962524 0.26 304.0841980 0.08 312.2681885 0.19 313.2077026 1.70 315.4138794 0.09 319.2575684 0.10 331.1826782 13.29 333.2853088 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 650.2363 Annotation Unknow Peak:m/z Relative Intensity 184.3446503 0.12 194.0845795 0.04 203.3610687 0.09 219.1151123 0.06 229.1017761 0.02 230.1799927 0.12 232.7329102 0.10 240.0528259 0.43 252.6449890 0.05 254.0501404 0.24 255.1144714 0.06 261.3815613 0.20 263.3711548 0.03 268.2261963 0.15 272.0391235 0.11 273.0320740 0.08 278.3106689 0.03 284.4585266 0.12 285.7474365 0.07 288.1940002 0.05 289.9560547 0.06 297.2747192 0.09 300.0778809 0.22 301.2567139 0.22 308.0798340 1.32 308.9698792 0.06 312.1870422 0.29 317.1712646 0.12 319.6970215 0.10 324.1763000 0.08 325.3408813 0.48 326.3845520 0.06 338.2660522 0.24 342.5041504 0.10 346.2218628 0.05 351.3837280 0.12 354.9433594 0.13 359.1661377 0.13 364.0804443 0.06 374.8578491 0.05 383.3704224 0.21 387.2291870 0.16 401.2283936 0.27 402.4230957 0.36 412.2575073 0.08 413.6084595 0.12 415.2040405 0.09 419.1611328 0.07 429.4074707 0.69 430.3740234 0.19 431.4327393 0.16 435.0284424 0.07 438.9169312 0.10 440.2088013 0.19 442.2240601 0.25 451.9223633 0.30 453.1526489 0.27 455.2556152 0.15 458.4176025 0.22 467.1798096 0.18 469.5329590 0.12 470.4812012 0.09 472.0296021 0.06 475.4336548 0.05 482.1494751 0.21 483.4979248 0.05 485.1361084 0.49 486.3096313 0.40 487.3118286 0.55 488.2844238 0.03 500.1749268 38.33 502.9397583 1.59 503.7623291 0.02 505.4071655 0.23 507.4651489 0.21 511.5364380 0.04 517.7043457 0.17 519.2573242 0.11 520.2444458 0.04 521.2461548 0.09 525.5003662 0.60 526.4227905 0.05 527.5841675 0.07 529.0667725 0.13 530.3947754 0.14 531.4089966 0.11 536.7328491 0.61 537.3462524 0.03 541.0452881 0.04 545.9380493 0.09 549.2525635 0.20 549.8847046 0.07 553.2027588 0.05 554.7354126 0.14 555.4476929 0.44 556.2825317 0.45 557.1928711 0.19 560.3921509 0.18 561.3242188 0.08 562.7972412 0.29 567.2300415 0.19 568.8363037 0.49 569.5509644 0.96 570.2101440 0.08 573.2717285 0.16 575.4354858 0.10 576.6421509 0.35 578.3881836 0.36 581.2663574 0.06 581.9822388 0.31 584.2937012 0.17 585.1102295 0.11 590.3994141 0.13 591.2360840 0.34 592.2957153 0.03 593.6507568 0.58 594.9307861 0.07 596.8886108 0.20 598.6750488 0.20 599.4467163 0.25 601.6535645 0.11 603.5551147 0.09 605.6477661 0.71 607.4429932 0.07 610.4992065 0.32 612.3235474 0.11 613.5466309 0.16 617.3598022 0.86 619.1705933 0.30 620.5005493 0.13 621.7892456 0.12 622.4824829 0.07 625.0100098 0.55 625.9329834 0.06 626.7732544 0.54 628.3807983 0.35 629.4462891 0.16 631.9967651 100.00 632.6327515 1.26 634.1203003 0.55 634.8496704 0.10 637.2854614 0.26 638.2000122 0.30 639.4494019 0.33 640.3014526 1.66 641.1347046 1.73 643.5568848 0.29 647.3681030 0.24 663.2106323 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 861.2433 Annotation Unknow Peak:m/z Relative Intensity 247.1636658 0.17 257.1523438 0.03 261.1672363 0.06 267.4798279 0.22 274.1858521 0.56 275.3157043 0.23 277.5675049 0.15 286.2698059 0.20 289.0567322 0.16 295.3008423 0.09 301.3088684 0.51 306.2863159 0.06 306.9793701 0.30 319.2396851 1.11 320.0898438 0.17 337.1257935 0.25 343.1333923 0.10 346.1906738 0.05 347.3086853 0.29 361.2161865 2.78 362.3223267 0.52 365.1887817 0.09 370.3582153 0.13 379.5250854 0.20 383.1005249 0.15 407.3366089 0.18 423.2848511 0.15 469.4071655 0.18 477.0427856 0.04 481.2426147 0.38 491.3910522 0.11 495.4658813 0.56 513.0629272 0.25 514.3786011 0.24 523.1515503 0.12 537.3648682 0.20 541.3718262 0.32 555.2058105 4.18 556.2015991 0.68 559.2965088 0.37 563.0377808 0.07 565.3342285 0.53 566.0098267 0.06 570.7401733 0.07 573.6327515 0.53 574.4338989 0.15 583.2770996 3.21 584.1801758 0.81 587.6526489 0.06 594.3167114 0.27 601.2611694 5.90 602.2310181 1.97 607.2418213 1.73 607.9482422 0.08 608.5588989 0.25 611.3399048 0.26 612.1064453 0.33 615.1491089 0.55 616.1382446 0.05 625.2422485 10.40 626.2182007 3.16 627.3015747 0.41 629.3222046 0.32 630.3262329 0.36 639.4384155 0.21 643.2020874 30.05 644.2105103 7.79 653.3918457 0.52 654.1754761 0.51 657.4757690 0.40 667.2824097 13.03 668.3600464 2.87 669.2738647 0.06 671.3298950 0.07 685.2140503 29.34 686.2084351 8.91 700.6824341 0.08 711.3876343 0.08 717.5754395 0.25 718.3804321 0.14 723.2045288 0.23 735.5361328 0.41 736.4110107 0.24 759.3506470 4.66 760.2276001 3.24 777.3124390 9.84 778.3442993 4.64 786.3110962 0.04 787.0592041 0.06 801.2440796 47.76 802.3739624 17.85 819.2673950 100.00 820.2598267 35.20 821.0252075 0.05 830.8262329 0.09 847.6777954 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 384.11 Annotation Succinyladenosine Peak:m/z Relative Intensity 127.0328522 0.13 129.1174316 0.22 129.8806152 0.04 135.9500427 0.34 137.2017212 0.09 144.3135986 0.05 147.9603729 0.11 149.0184631 0.06 151.9799805 0.05 156.0755615 0.06 161.9198914 0.17 164.8081970 0.10 169.0378113 0.02 170.7125244 0.03 175.0120392 0.14 182.1990204 0.09 186.0091248 0.11 187.1748810 0.04 190.8198242 0.03 193.1721954 0.07 196.3791199 0.05 197.0415497 0.09 198.8803558 0.16 202.2415466 0.03 203.2414246 0.06 206.1104126 0.39 208.8384705 0.06 221.1634521 0.21 222.0303955 0.06 229.0895691 0.04 231.2341919 0.09 234.0016174 0.94 244.9490967 0.02 246.4095154 0.06 249.2134399 0.04 252.0660095 100.00 253.2400818 0.14 254.0479431 0.04 255.8950806 0.11 257.0471802 0.08 263.3871155 0.05 265.1654968 0.18 267.2410889 0.02 269.3217163 0.19 270.2610474 0.10 273.1292114 0.10 278.3000793 0.05 279.1161804 0.04 285.2273254 0.04 286.3089600 0.06 288.4478149 0.11 294.2425537 0.08 295.0559998 0.11 296.6992493 0.23 310.7108765 0.60 312.0530396 0.02 313.3721924 0.18 316.6763916 0.17 319.1674500 0.24 320.8580322 0.09 321.8858032 0.08 323.3451538 0.17 325.1814880 0.12 326.3695374 0.05 327.4099426 0.04 329.7678833 0.11 330.8964844 0.17 334.1375732 0.07 336.2935486 0.07 337.9024048 0.46 338.8157959 0.90 339.5248413 0.15 340.1598511 0.18 341.3667603 0.06 342.4549561 0.39 343.2904663 0.06 344.7391968 0.24 346.1251831 0.02 348.4029236 0.26 353.7021790 0.26 355.2397156 0.10 361.2848816 0.32 365.5905457 0.91 366.4521790 1.11 367.3303528 0.42 371.3025208 0.21 372.2438049 0.33 374.6884460 2.45 375.4592896 0.74 377.3179321 0.14 377.9419250 0.37 394.1320190 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 732.8654 Annotation Unknow Peak:m/z Relative Intensity 251.1869812 0.10 255.8209229 0.24 264.6873474 0.08 273.8875732 0.95 277.2148132 0.10 292.9336548 0.11 304.5279541 0.11 308.6054077 0.22 345.2852173 0.17 427.5354614 0.29 459.3034668 0.14 461.1064453 0.26 506.7257080 0.13 526.8497925 0.16 528.5017700 0.19 535.7540894 0.12 541.2937012 0.08 562.3555298 0.49 571.3517456 0.06 580.5872192 0.34 581.4105225 0.09 586.5906372 0.07 590.9500122 0.44 596.2927856 2.29 601.4636841 0.06 602.9790649 0.26 619.3064575 0.62 623.8139038 0.28 638.3815308 0.07 643.9987183 0.34 652.8368530 34.46 653.6816406 0.35 655.0373535 0.28 655.9786987 0.80 657.2420654 0.27 668.0179443 0.99 668.8295898 0.48 671.9354858 0.91 676.5181274 0.44 679.3004761 0.65 686.9838257 0.77 688.3460083 100.00 689.4296875 1.85 690.8486328 0.20 692.5184326 0.29 693.8475952 0.56 696.8776855 0.19 697.6599731 0.27 699.2092896 0.42 700.9560547 0.37 715.2888794 0.97 716.8536987 0.79 724.4126587 0.39 752.2301025 0.61 762.4776611 0.23 791.5587769 0.09 805.0155640 0.07 819.1816406 0.55 844.9751587 0.24 857.5886841 0.22 867.2174072 0.15 874.6503906 0.38 885.3234863 0.24 914.6792603 0.35 937.0488892 0.25 952.9935913 0.80 960.6119995 0.19 977.4054565 0.26 989.7017212 0.47 1015.3801270 0.69 1032.7625730 0.08 1092.3991700 0.04 1120.6483150 1.64 1121.7514650 0.09 1123.5581050 0.44 1145.5603030 0.08 1151.5275880 0.11 1163.3698730 0.06 1173.1342770 0.12 1191.6660160 5.70 1192.6671140 1.25 1263.8372800 0.29 1286.6440430 0.10 1304.7275390 4.33 1305.5429690 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 426.29 Annotation Prostaglandin E2 serinol amide Peak:m/z Relative Intensity 127.0906982 7.45 135.2263794 7.47 136.8866272 5.45 139.8551636 6.02 146.7177734 6.64 150.919281 8.54 156.9658813 2.60 163.2762451 5.04 163.9997711 5.77 169.1130371 5.52 173.0878296 15.28 181.011261 8.71 184.8627472 12.02 199.1445312 2.85 219.2184448 14.17 223.1861877 5.53 229.1885071 16.34 231.0527039 4.55 232.3475189 3.80 237.3721313 3.09 258.0482788 3.33 262.9197083 10.12 275.4877014 8.59 276.3656311 3.10 281.3565674 16.19 283.953949 8.35 286.9988403 4.81 291.5790405 5.95 302.0053711 4.34 303.4819946 2.61 304.8354492 12.07 312.5197754 2.38 326.499939 3.59 329.1677246 15.66 330.2903137 20.44 331.3136597 9.49 339.3938599 23.99 341.1192627 19.58 342.4394226 4.32 345.1971436 6.45 347.2511292 3.84 352.206665 22.07 359.111084 7.44 366.1245422 12.61 376.6440125 3.34 380.29245 12.18 381.3434753 7.38 385.6756897 4.81 390.4302063 23.07 395.2805176 6.69 398.5376892 9.17 407.618988 16.42 408.2815247 100.00 409.8557129 8.85 411.2217407 5.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 279.07 Annotation D-Erythroascorbic acid 1'-a-D-xylopyranoside Peak:m/z Relative Intensity 81.0155792 0.27 82.0758820 0.22 84.7634430 5.28 88.9166641 2.25 94.8276596 0.14 96.9349823 11.94 98.8859863 6.62 99.8719177 0.08 100.8682251 0.58 101.6926727 0.27 103.2582092 0.23 106.6788025 0.23 108.9685898 11.53 114.6399078 0.11 116.8859253 0.27 126.8640823 34.59 128.0242310 1.67 129.0001526 1.11 130.0610962 2.77 130.9972839 0.27 132.9076233 0.26 134.8708801 8.21 139.2392273 0.12 142.8782806 0.10 144.9058990 23.99 148.0280151 1.24 149.0838623 1.52 150.0755768 0.20 155.1298523 0.14 156.1225128 0.32 160.3182373 0.09 161.8741913 0.59 162.9659271 3.24 165.2101746 0.10 173.0327148 0.53 174.0815735 0.26 176.8905945 0.13 180.8049469 0.21 183.2835236 0.12 184.8095703 0.58 185.9215393 0.10 189.1233978 0.07 189.9561768 0.43 194.8934937 0.30 196.8043518 2.23 197.8363953 1.11 200.9748230 0.93 203.1436768 0.16 204.7635193 2.67 209.2560730 0.46 212.6743164 0.47 214.1306458 8.96 215.0578613 4.89 218.0419312 0.26 219.2002563 0.70 220.1584473 0.14 221.1438599 0.14 222.5072632 0.08 224.8769226 2.21 230.9287415 1.70 232.1786499 15.29 233.0272522 10.57 235.1369934 0.53 235.9698181 0.11 238.1534729 0.23 240.7453003 0.09 242.4887695 2.94 243.1018066 12.66 244.0063477 0.30 244.6847534 0.19 250.9964905 0.60 255.7305298 0.31 261.0446167 100.00 262.1679993 0.08 263.8818970 0.05 268.1102905 0.07 270.0788269 2.01 270.8051758 0.51 272.3919373 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 743.1241 Annotation Unknow Peak:m/z Relative Intensity 227.0552979 0.39 228.3971252 0.07 230.1901855 0.12 240.2802277 0.07 243.2087555 0.06 244.3568115 0.05 244.9814911 0.11 247.0204773 0.45 258.0769653 0.03 260.1266479 0.21 287.9017944 0.05 290.2962036 0.78 314.4584961 0.08 315.2620239 0.13 320.3773804 0.08 324.1969910 0.03 330.2938538 0.15 334.4062195 0.24 335.2043152 0.06 337.1621704 0.45 338.2229004 0.09 342.3891907 0.06 345.2510986 0.03 349.1365967 0.63 349.9407959 0.56 354.4380493 0.42 355.2480469 1.38 355.8712769 0.05 357.6683960 0.47 363.6775513 0.64 364.2822266 0.07 365.1567993 0.09 372.3165283 1.49 373.3521118 0.13 378.1421509 0.06 381.0166016 0.09 381.6427002 0.23 390.7791138 0.35 394.9404297 0.08 399.3712158 0.51 403.2146606 0.26 404.7675781 0.13 407.2154541 0.12 412.1723633 0.36 413.3034668 5.98 415.1336060 0.14 423.3593140 1.21 427.3383179 0.14 428.8635864 1.40 430.4598999 0.04 431.4586182 0.43 433.7117920 0.10 437.3242188 5.24 439.3581543 0.06 441.4818726 0.09 442.3831177 0.26 443.5371094 0.18 444.5778198 0.12 449.3699341 0.14 451.0438843 0.05 452.7912598 0.04 454.5056763 0.18 457.2382202 0.03 462.2867432 0.09 463.9619751 0.91 464.7131958 0.07 468.5628662 0.22 469.3370361 0.18 470.1246948 0.21 471.2164307 3.39 472.4489746 1.89 473.1848755 4.76 474.4472046 0.35 478.0245972 3.58 478.9364014 0.87 485.6980591 0.62 486.7980957 27.78 487.4720459 4.35 488.7919922 0.20 491.3005981 0.05 497.5377808 0.07 498.2857056 0.16 502.3786621 0.03 512.0248413 0.17 513.5102539 0.03 515.6200562 0.06 517.6351929 0.22 521.4852295 0.24 523.5136108 0.05 525.0984497 0.10 526.7003784 0.64 533.1723022 0.07 535.2224731 1.89 536.0902710 0.33 538.0321045 0.08 540.4952393 0.13 544.6290894 0.06 552.5040283 0.08 556.2465210 0.04 558.1685181 0.08 568.5703125 0.45 571.6525879 0.13 572.4620361 0.06 573.4631958 0.16 574.4202271 0.19 579.4369507 0.62 580.2446289 0.61 581.1716309 0.39 590.3728638 0.14 591.6248169 0.06 593.2839966 0.14 596.1305542 0.20 598.0009155 0.18 600.4817505 0.07 601.6002197 0.06 602.6574097 0.13 612.8750610 0.13 618.5048218 0.33 619.6450806 0.29 622.8455811 0.50 624.1826782 0.25 630.3128662 0.10 631.5219727 0.57 634.9016724 0.18 641.3468628 0.24 642.3836060 0.08 643.7006836 0.86 644.5974121 0.08 648.0528564 0.31 651.2754517 0.30 652.6557007 0.26 653.7401733 0.52 654.6194458 0.13 656.9993286 0.59 658.6221924 0.04 660.9666138 2.31 662.0545044 0.32 664.0669556 0.07 666.9088745 73.12 668.2144165 1.20 669.5368042 1.18 670.6171265 0.40 671.5414429 0.16 672.7875366 0.34 673.5924683 0.25 677.1118774 0.24 681.0870972 0.11 682.0411987 0.40 683.7052612 0.19 686.4518433 0.26 689.5119019 1.35 690.2703857 0.78 691.0816650 0.75 692.9451294 0.15 695.0889893 0.24 697.4209595 3.53 698.4383545 1.17 699.2435303 0.78 700.3747559 0.33 701.3341675 0.10 703.0638428 1.11 706.7113647 1.71 707.5139771 0.36 708.2628174 0.09 710.9288940 0.07 711.7240601 0.08 713.3151855 1.98 714.8146362 0.59 715.9226074 20.15 716.8984985 0.33 717.9392090 0.61 718.5398560 0.04 720.0968628 0.37 720.7877197 0.41 721.4920044 0.25 723.1367188 0.13 724.1044312 0.23 725.5162964 0.47 726.3973999 1.37 727.6865845 0.31 728.4713745 0.45 729.5661621 0.29 732.3063354 0.48 734.0373535 0.57 734.7530518 0.79 746.3613892 0.16 747.4166260 0.04 752.8928833 0.58 758.5437012 0.34 760.4738159 0.05 767.5595093 0.05 768.3776245 0.07 769.0822754 0.23 776.7637329 0.11 778.2431030 0.24 780.1148071 2.40 780.8679199 0.05 788.1444092 0.16 789.7506104 0.40 791.2979126 0.20 799.0899048 0.08 799.7677612 0.12 807.6056519 0.14 808.6209717 0.12 812.8663940 0.09 818.6337891 0.16 819.9810181 0.21 822.4750977 0.14 825.4474487 11.13 826.4445801 1.28 827.7108765 0.03 829.5107422 2.33 830.4055176 0.38 832.3041992 0.34 833.9626465 7.53 834.7214966 0.48 835.7229614 0.66 837.4166870 0.17 840.5850830 0.06 843.2998657 0.05 844.2345581 0.26 845.3199463 0.03 850.7064819 0.06 858.7144165 0.11 867.4045410 0.10 869.5634155 0.12 870.3378906 0.36 871.2919312 0.13 873.5625610 0.72 875.2939453 0.23 876.9589233 0.09 880.5578003 0.16 885.0945435 0.44 893.5903320 0.86 894.5780640 0.21 902.7333984 0.26 908.5898438 0.30 911.1292114 0.10 913.9689941 0.10 915.4829102 0.07 916.1279297 0.66 918.2640991 0.30 919.6787109 0.14 923.4035034 0.23 924.6701660 0.15 934.0077515 0.03 936.8560181 0.11 941.0217285 0.33 941.7673950 0.09 942.3998413 0.14 943.3573608 0.30 944.5477905 0.07 946.3258667 0.24 946.9706421 0.36 947.6223145 0.09 951.2438354 4.00 951.9048462 0.27 953.1065063 0.07 954.8222046 0.84 955.7167358 0.62 956.3696899 0.02 964.0534668 0.31 972.4879761 20.19 973.5184937 4.50 974.2556152 0.13 976.7080688 0.04 987.6591797 0.24 988.8340454 0.11 989.4680786 0.26 990.7294312 1.03 991.4207153 0.13 992.7893677 0.03 994.4564819 0.03 997.0864258 0.08 998.1149292 0.06 999.8120117 100.00 1000.7392580 3.05 1001.6257930 0.18 1002.6210330 0.17 1003.3239140 0.58 1005.2207030 0.06 1008.3466800 0.10 1009.8926390 0.16 1011.3244630 0.14 1021.5588990 0.34 1034.3278810 0.22 1038.3011470 0.21 1047.6679690 0.44 1056.4340820 0.08 1064.4610600 0.33 1065.2971190 0.21 1073.1306150 10.78 1073.7551270 4.27 1076.1995850 0.16 1082.2409670 0.22 1083.5458980 0.09 1087.8034670 0.45 1089.2818600 0.06 1089.9156490 0.09 1090.6163330 0.32 1129.0585940 0.52 1129.6845700 0.07 1131.8806150 0.18 1137.2684330 1.07 1138.0810550 0.12 1148.8139650 0.24 1151.8338620 0.10 1194.2539060 0.08 1215.8625490 0.06 1225.8327640 0.17 1226.4471440 0.07 1261.7055660 0.04 1262.5042720 0.28 1263.8973390 0.23 1276.1898190 0.27 1310.1507570 0.25 1312.9978030 0.27 1317.7889400 0.11 1320.0521240 0.06 1426.1456300 0.04 1426.7650150 0.13 1431.5712890 0.04 1455.0430910 0.05 1470.6791990 0.07 1508.7147220 0.09 1541.3464360 0.04 1641.9836430 0.08 1765.0828860 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 570.2122 Annotation Scutebarbatine E Peak:m/z Relative Intensity 159.7721710 0.03 163.1030731 0.02 167.0673218 0.09 168.9749603 0.10 170.9989624 0.20 177.0810242 0.32 179.0093994 1.52 182.8329926 0.04 184.8742218 0.09 192.0152588 0.21 197.0313263 0.09 207.9828339 0.05 210.0933380 1.37 213.1953125 0.16 223.1840210 0.02 228.1880493 0.03 231.2417755 0.05 236.1064148 0.15 242.2743225 0.15 254.1931000 4.71 269.0913086 0.07 272.2764587 4.67 288.1762695 3.11 304.2984619 0.05 306.1328735 100.00 310.0419617 0.03 319.1648560 0.06 354.0988770 0.07 361.1608887 0.01 369.1680908 0.06 370.3937988 0.07 380.9706421 0.04 386.2740479 0.04 392.5421753 0.03 403.3035889 0.10 426.2811890 0.07 435.5126953 0.04 436.2382202 0.03 439.2357178 0.09 440.7092285 0.05 449.0770264 0.03 451.6087646 0.06 454.3837891 0.02 463.0148315 0.33 464.1278076 0.44 467.4694214 0.04 477.2607422 0.02 484.0125732 0.03 486.2972412 0.06 498.3677979 0.04 522.8914185 0.38 523.8458862 0.08 524.7745972 0.05 526.3978271 0.11 532.6325684 0.19 534.3634033 0.03 535.4691162 0.02 537.5339355 0.06 540.4743652 0.02 551.3933716 0.19 552.3156738 0.03 553.5336304 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 505.2795 Annotation Unknow Peak:m/z Relative Intensity 150.7191162 0.08 169.1175842 0.06 201.8273010 0.05 210.6394806 0.05 225.3888397 0.11 237.2010803 0.33 241.1258850 0.25 242.2769318 0.40 292.0748291 0.21 325.3551025 0.18 339.1491394 0.30 343.3253784 0.12 357.1981201 0.08 390.7167053 0.09 409.2612610 0.23 415.1638184 0.08 427.5003967 0.11 437.0428772 0.89 443.1698914 0.20 447.5249329 0.38 449.3043823 0.05 455.5787354 0.17 459.2858887 0.44 460.8117065 0.05 462.4280090 0.06 469.4208679 100.00 470.1981812 0.03 473.3856506 0.13 487.2040100 0.65 487.8334351 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 289.0927 Annotation 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran Peak:m/z Relative Intensity 84.9687042 1.67 87.0791702 0.05 88.8651428 0.33 95.1508560 0.35 96.9370804 2.99 98.8497772 1.07 100.9273605 10.65 112.9899597 6.29 114.9197693 0.11 118.8733673 0.48 121.9333267 0.11 123.0598602 0.05 125.0352478 1.42 126.9993896 6.57 129.0456238 0.51 130.0500031 0.05 130.9513245 0.26 137.8225403 0.04 141.0635529 0.10 142.9485016 2.70 144.3712769 0.12 145.1026459 0.12 151.0851898 0.54 152.1792297 0.14 157.1864624 0.06 158.9826355 5.73 160.9847412 100.00 161.7651672 0.08 162.8304596 0.11 165.0529175 0.53 167.0616760 0.15 169.2221680 0.51 175.0297852 0.12 178.9011230 0.25 180.8240356 0.48 183.1912842 0.06 191.0194397 0.15 193.0597839 2.00 199.1098633 0.24 201.1275330 0.26 202.0772400 0.07 203.1441345 0.06 205.0700684 0.24 211.0440063 0.69 213.1428223 0.06 214.1242981 0.10 215.1207581 0.35 217.1350708 0.44 221.2052917 0.16 225.0600281 0.06 229.1945496 0.06 241.3221436 0.05 243.1534424 4.47 244.2644043 0.22 245.2356873 0.90 247.1511536 0.61 253.1246948 0.24 258.1126709 0.05 259.0887146 0.23 259.8389282 0.15 260.9592285 0.63 269.9073181 0.21 270.9844055 0.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 555.0946 Annotation Unknow Peak:m/z Relative Intensity 201.1082153 0.20 219.1744995 0.13 231.0338745 1.07 236.2139740 0.04 243.0797119 0.15 254.3139343 0.24 261.2620239 0.35 273.1601562 0.06 301.9111328 0.08 303.2584839 0.10 318.8041992 0.06 357.2305298 0.49 362.3279419 0.09 363.2493286 0.75 375.0798340 50.41 375.6973877 0.19 377.0577393 0.14 378.1954346 0.33 379.1927490 0.37 381.2243652 0.20 384.0180664 0.23 389.2509766 0.25 390.8479004 0.04 393.1185303 100.00 404.9512329 0.05 407.2401123 0.17 408.7763062 0.10 425.4257812 0.12 426.2318115 0.04 439.3000488 0.04 443.1381226 0.17 451.2760010 0.27 458.1391602 0.54 475.0967407 0.04 492.2568359 0.06 495.1856689 1.39 497.6625366 0.16 501.2142944 0.08 509.0183716 0.10 525.1985474 0.04 536.6410522 1.13 537.3561401 1.03 538.9220581 0.04 545.2803955 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 497.123 Annotation Unknow Peak:m/z Relative Intensity 140.1101532 0.14 149.9802246 0.49 152.0362549 0.28 153.1546936 0.31 160.1213684 0.92 165.0661621 0.79 168.2570496 0.19 174.3566589 0.11 178.0915833 2.15 179.0986633 0.26 180.9491730 0.57 182.8562927 0.11 190.9508667 0.33 196.1019897 0.51 197.1807251 0.14 209.2023621 3.61 223.1730347 0.20 225.1343994 19.78 226.9710236 0.46 228.1843262 0.18 229.3187866 0.05 230.0730438 0.10 241.2294922 0.22 242.9958344 0.83 248.8796997 0.12 253.0323181 100.00 259.0783081 4.72 261.1828613 0.31 271.2126465 3.73 285.2108765 0.47 287.1370850 28.66 297.6520386 0.09 305.1327515 4.76 329.2863770 0.26 331.4115601 0.25 335.1836243 0.07 341.8270264 0.09 344.1636353 0.08 346.2241211 6.43 347.2568359 2.92 365.5732727 0.15 373.2153320 0.04 380.8676147 0.23 401.2996521 0.10 405.2467346 0.38 408.2272644 0.07 412.8470154 0.05 422.0574036 1.83 428.2535706 0.13 435.3922424 0.19 440.5960999 0.08 450.3244629 0.32 451.2996521 0.20 452.5014038 0.07 461.1956177 0.57 464.5533142 0.09 465.5190735 0.05 467.2311707 0.19 479.0259094 14.70 479.6742554 0.09 481.1701355 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.2075 Annotation Suspensolide D Peak:m/z Relative Intensity 150.9078369 0.33 160.9600830 2.20 178.9087372 0.31 203.2531738 0.21 207.0259094 12.58 227.2129669 0.20 235.9501190 0.16 255.3501892 0.10 262.7848511 0.26 272.1397705 0.16 285.2543945 0.77 287.1163025 0.19 293.1694641 0.63 297.4810791 0.19 305.9146729 0.45 307.1788330 0.55 311.1599121 100.00 315.1606445 0.15 321.3370972 0.26 334.5128784 0.59 357.2599487 0.92 399.5363159 0.44 412.8896484 0.13 413.5216675 0.90 432.1995239 0.22 459.3900146 4.23 473.0043945 18.53 473.6972656 0.08 474.7991333 0.32 500.4318237 0.72 501.2019653 0.96 504.5044556 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 576.2126 Annotation Unknow Peak:m/z Relative Intensity 176.7671204 0.07 179.3104553 0.08 188.8564148 0.23 192.5891418 0.44 195.0725861 0.37 197.0136566 0.09 207.8899841 0.13 214.9844055 1.01 224.9665222 0.18 233.0029144 1.62 242.9986267 4.61 246.8704071 0.32 251.4754791 0.16 252.9834900 0.28 260.9284668 24.95 270.9348145 1.57 277.1380005 0.13 278.9581909 100.00 280.1032104 6.80 285.0566406 0.17 289.1734009 0.10 294.1645508 0.54 295.1483765 0.06 296.3083496 4.92 296.9574585 11.08 298.2078247 0.21 302.8667908 0.11 341.2507324 0.28 345.7719116 0.58 353.7932739 0.37 357.1126099 0.15 363.0309448 0.09 368.8972778 1.53 374.5335083 0.88 375.2711182 0.38 378.3146973 0.60 385.9987793 0.19 387.1577759 13.33 388.5599365 0.21 391.1995850 0.11 392.9088135 0.23 395.1047974 0.26 396.0366211 2.00 397.1652222 0.34 401.3031006 0.27 404.8893433 10.58 405.5122681 0.23 412.2090454 0.16 414.0056152 68.57 414.6749878 0.20 421.5382080 0.25 423.1477661 25.54 428.9187012 0.30 433.9980469 0.08 438.8337402 0.20 441.0057373 12.22 457.6176758 0.37 458.6223145 0.95 459.4526978 0.11 520.7861938 0.15 532.4803467 0.28 547.8177490 0.59 557.4437866 1.76 558.1480103 1.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 76.96446228 0.31 77.85593414 0.09 84.8789444 0.14 92.03547668 0.16 94.08518982 0.29 95.68110657 0.17 103.3704376 1.59 104.5397186 0.16 105.8753967 0.29 107.7919922 0.32 108.728653 0.73 109.9908905 0.53 113.0724945 0.15 119.1344299 0.13 120.0336609 0.77 120.9509583 0.35 122.4870911 0.42 123.1835022 0.16 123.8651886 0.84 125.0989227 0.89 125.9372711 0.11 127.8612823 0.24 129.0187683 2.53 129.9457855 1.72 131.0638275 0.07 134.027359 0.68 138.1230774 0.51 139.1792297 0.16 141.9953613 0.24 143.8513641 0.41 144.9430695 0.32 146.0343781 0.59 147.0417328 0.35 149.0969086 1.23 150.9727631 29.92 151.9759979 22.71 152.9555511 2.21 154.0795288 0.68 155.0495453 0.71 158.1121979 0.34 159.0756989 0.34 161.9269562 1.37 163.0796356 0.99 164.3119965 0.35 166.2232513 0.52 167.1043243 0.81 168.1064148 2.13 170.1175385 0.62 171.0468292 0.31 172.1107788 2.42 173.1394958 0.45 176.0108795 3.69 177.3280792 0.35 178.1135712 0.68 179.1698608 0.61 179.9243011 0.54 182.1369629 0.93 183.0180969 1.04 185.0738983 0.33 185.9651337 0.69 188.2382812 1.07 189.9924469 0.41 191.1423798 0.70 191.8613586 0.54 193.2066803 0.16 194.1151428 2.44 196.3179321 0.21 197.0638885 0.34 198.4118042 0.18 199.0867767 0.79 199.9872437 0.50 200.7075653 0.22 206.1333618 2.43 207.0670624 0.77 208.088974 1.65 209.9826202 3.41 210.9447937 0.28 211.9703369 0.63 212.9904327 0.49 217.3378448 0.20 218.0999146 2.83 219.2109375 0.64 223.2492371 1.60 224.192337 1.43 225.1609497 1.09 226.1731415 5.07 227.2805786 0.64 229.8968506 0.28 235.1745453 1.29 236.1443939 9.33 236.9990997 0.91 238.1279297 1.66 239.1655731 6.56 240.2180939 0.97 245.0830841 0.10 253.0879059 100.00 254.1818085 48.43 254.938797 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 409.2066 Annotation Unknow Peak:m/z Relative Intensity 114.9457626 1.11 115.8031921 0.07 117.0737762 2.46 119.9693604 0.89 129.0062103 0.31 129.9216156 0.96 130.9256592 0.53 132.0214233 6.80 133.0050964 0.37 139.9135590 0.08 141.0059662 0.18 142.0601807 1.54 143.0711975 1.49 143.9345398 0.28 145.1072388 0.04 159.0428162 1.62 160.0666962 56.70 161.2539368 0.25 165.2552185 0.09 173.2734985 0.06 176.9980469 100.00 177.8578949 0.05 197.0653687 0.04 199.6923676 0.38 212.2709045 0.06 213.1427765 0.27 214.9844208 4.61 215.8145294 0.37 223.0141907 0.12 224.7911224 0.09 228.9055176 0.08 232.9570618 8.51 246.9852905 0.07 249.8007812 0.05 259.1716003 0.31 263.2019043 0.08 274.4133911 0.10 290.1142578 0.10 291.2120361 0.06 297.2582397 0.07 303.1637573 0.24 303.8501587 0.14 305.0088196 0.07 307.1812134 0.41 312.8839722 0.07 318.9607849 1.24 321.5273743 0.03 323.8093262 0.21 324.7577515 0.09 327.1802979 0.11 329.1908264 0.05 332.3602295 0.24 333.3211060 0.07 335.7881775 0.24 339.2178040 0.53 344.6317749 0.11 347.0690308 0.41 348.8702393 0.17 349.5582275 0.08 350.2340088 0.21 352.4360962 0.11 356.6559753 0.48 359.2160950 0.38 363.2876282 0.32 365.7448425 0.34 368.5696716 0.04 373.1330872 0.46 374.2485657 0.16 377.1988220 0.17 379.0022278 0.42 381.1009827 0.20 381.8922119 0.04 391.0306702 5.43 391.6809387 0.04 393.9640198 0.19 396.6593933 0.72 397.8745728 0.68 400.1911926 3.90 400.9263000 0.36 402.6855774 0.51 403.7727051 0.26 408.6066895 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 464.8 Annotation Unknow Peak:m/z Relative Intensity 212.7652588 2.08 229.1599426 0.10 296.7892456 24.65 328.8745422 0.22 378.1810608 0.15 380.5852966 100.00 381.3395081 0.21 385.2081604 0.16 419.1572571 0.06 447.2172546 0.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 335.098 Annotation 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran Peak:m/z Relative Intensity 110.1127625 0.02 111.0826645 0.03 126.9955292 1.46 128.0063782 0.15 132.9990234 0.08 139.3441467 0.06 143.1319122 0.03 154.2391663 0.24 155.0091553 0.26 160.9032288 0.29 169.1430817 0.02 171.9586029 0.03 173.1116791 0.17 181.2363892 0.04 197.2272949 0.07 203.0722961 0.04 205.9996643 0.05 207.1345215 0.02 210.9228210 0.04 215.0479431 0.06 216.6990051 0.04 231.3130493 0.11 233.0379944 0.10 235.2528381 0.02 239.2613525 0.02 241.2067261 0.07 243.1745605 0.05 245.1020203 0.15 249.0721436 0.07 256.2215271 0.05 257.1228333 0.19 261.0112915 0.04 267.1633606 0.21 267.9878540 0.03 273.1213379 0.17 275.0388794 0.36 289.1228638 100.00 291.2517395 0.43 299.1785278 0.03 300.3486938 0.04 305.1173706 0.03 307.1171875 0.17 316.9622803 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 387.1862 Annotation Unknow Peak:m/z Relative Intensity 116.0928802 0.25 120.1355209 0.20 123.1765747 0.06 128.9665985 0.39 130.0938110 1.02 141.1025848 0.19 142.0784912 0.06 144.0442963 3.01 155.2435760 0.26 162.0483398 7.15 163.0588989 0.35 169.0176086 0.83 172.0172424 0.07 173.1932373 0.25 174.1714783 0.11 177.1843262 0.14 179.1518097 0.23 181.0966339 3.97 182.0528412 0.19 185.0362854 2.34 186.1395264 0.23 187.2060852 0.44 199.0664673 3.06 200.1600037 1.46 201.0874634 0.25 202.2393494 0.09 203.2619324 2.44 207.2699890 0.09 217.0341187 29.58 218.0872192 1.74 219.2278900 0.35 226.0478210 0.16 226.9335022 0.65 228.2732849 0.26 239.8242188 0.06 241.1877747 0.13 245.0419922 88.07 246.0676270 7.12 247.0627747 0.18 253.8234558 0.26 255.0295410 0.33 256.3446350 0.10 258.3979492 0.21 268.2271729 1.77 270.5405273 0.46 271.2863159 0.07 272.1901245 0.17 280.3734131 0.22 283.6213989 0.20 284.4002075 0.21 286.1365356 0.14 288.1241760 0.27 288.7247925 0.37 292.6856689 0.32 296.9617920 0.20 298.0760498 1.50 299.2591553 0.53 300.0269165 0.25 301.4544678 0.08 305.0993652 0.12 306.8778687 0.36 311.9371948 0.80 313.0720215 0.46 316.0982666 11.83 317.2027893 1.01 318.3944702 0.14 320.8345947 1.02 330.1817627 8.27 331.3137817 1.50 334.3045654 0.25 339.8938599 0.45 341.2957764 0.05 344.1088257 0.38 347.9819946 0.09 349.1765137 0.46 351.3280945 0.44 351.9717712 0.23 353.3811951 0.24 354.2426453 0.16 355.1868591 0.13 357.3466187 0.98 360.1023560 0.26 362.2292175 1.04 362.8588257 0.42 367.1355896 0.12 369.4198914 11.34 370.2111816 1.51 371.2780151 3.93 372.1780090 0.25 376.0307312 0.12 378.3227539 46.55 379.4120789 1.51 380.3616943 0.50 381.0349121 0.42 408.4221497 0.34 409.2376709 0.12 415.4343872 0.85 416.3149109 0.08 426.1034241 0.74 437.4910278 0.42 440.4374695 0.29 441.1186829 0.15 444.4717407 1.06 445.2534485 0.90 453.2256775 0.31 458.2714539 14.17 459.4869995 3.65 468.2846985 0.07 470.1599731 0.06 472.0193176 0.10 479.2554321 0.14 480.4971313 1.62 497.3065491 1.01 500.3698120 0.09 507.3561096 0.06 511.1525269 0.92 512.5775146 0.33 523.1708374 0.16 529.3253784 100.00 530.4455566 29.72 531.3842773 2.20 575.4570923 0.11 577.5021362 0.24 587.5982056 0.17 594.4247437 4.55 595.4667358 1.59 596.2918091 0.09 597.4268188 0.04 603.5296021 0.10 612.3801880 10.76 613.4700928 3.94 614.4343872 0.10 642.8002319 0.12 659.3074341 0.31 668.2250366 1.10 727.9479980 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 707.4007 Annotation D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol Peak:m/z Relative Intensity 218.9743652 0.21 233.2029419 0.06 235.1372375 0.04 251.1946411 0.08 255.1986389 0.09 256.1972046 0.03 266.1982422 0.05 296.4478455 0.09 299.1874390 0.08 309.2687988 0.18 310.1217041 0.04 312.2159424 0.06 328.1013184 0.14 330.2196350 0.22 331.2790222 0.29 332.2962036 0.22 342.2355347 0.06 349.7927856 0.08 356.9811401 0.02 359.1470337 0.08 361.1729736 0.32 365.3308716 0.03 376.3476562 0.10 377.2697144 0.07 382.7642212 0.25 393.4367676 0.06 394.2871094 0.03 397.4456177 0.09 402.4979248 0.08 405.2268066 0.97 406.4677124 0.12 413.6517944 0.15 418.3068237 0.03 421.0912476 0.33 424.5494995 0.06 427.4088135 0.90 428.5023193 0.43 430.1622925 0.03 437.4838257 0.05 442.4413452 0.10 446.4945679 0.04 449.9791870 0.06 452.4637451 0.10 457.5530396 0.06 461.3485107 0.31 462.5574341 0.31 468.4427490 0.19 470.4205933 0.62 471.4235840 0.06 476.3571777 0.09 478.0896606 0.41 479.3629150 0.03 484.7501831 0.03 489.2938843 0.02 491.2354736 0.13 493.5552979 0.03 497.7994385 0.07 504.3247070 0.69 506.3642578 2.33 507.3193359 0.39 510.8552246 0.03 512.6917114 0.08 519.0283813 0.21 520.1210327 0.16 524.3569946 87.90 525.4268188 16.08 527.9036255 0.30 534.0586548 0.20 535.2786255 0.05 538.4129028 0.05 540.9945679 0.12 541.6706543 0.08 542.7135620 0.12 544.4028931 0.21 545.4491577 0.09 546.5083008 0.20 547.3789673 0.03 548.3779907 0.65 549.1618652 0.08 550.1664429 0.20 551.2327271 0.25 556.2559814 0.10 560.1080322 0.05 561.2029419 0.19 562.5874023 0.04 565.9454956 0.10 569.1366577 0.09 573.4509888 0.10 574.2648926 0.31 578.3966675 0.17 580.4452515 0.36 582.5112305 0.12 588.8705444 0.15 591.2885742 0.37 591.9248657 0.22 597.8551636 0.09 602.3322754 0.04 604.6111450 0.07 606.2991943 0.21 608.0693359 0.11 613.7479858 0.36 614.6152954 0.69 617.2062378 0.31 618.3385620 0.07 619.2958984 0.09 624.1994019 0.28 625.7693481 0.27 630.5347290 0.68 634.1653442 2.32 634.8007202 0.20 637.4320068 5.05 638.3331909 0.77 639.1893921 0.54 640.9097290 0.06 641.7596436 0.06 644.8584595 0.22 646.3242798 0.66 647.8779907 13.94 648.4885864 6.16 649.5584106 0.24 650.5127563 0.15 651.4334717 0.05 653.8388062 0.14 655.7069702 0.40 659.8230591 0.39 663.3667603 0.08 666.1669922 0.32 667.8579102 0.30 668.5094604 0.08 669.4387817 0.49 670.4006348 0.03 671.8532104 0.89 672.5971680 0.04 673.2208862 0.49 674.9614868 0.31 678.2521362 0.47 680.3346558 0.27 680.9925537 0.43 682.5122681 0.12 683.3067627 0.44 685.0203857 0.40 686.2277832 0.47 689.4420166 1.68 690.3178711 0.72 691.5659790 0.20 695.7277222 1.66 698.5719604 2.49 699.3375854 0.47 728.4030762 0.16 729.4682617 0.08 733.7470093 0.12 736.3191528 0.17 737.1578979 0.11 753.4420166 0.05 754.6110229 0.11 755.5087280 0.17 756.2888794 0.03 759.6923218 0.03 761.9192505 0.35 763.3963623 0.04 768.3224487 0.29 773.6670532 0.16 777.4139404 5.61 778.3225708 1.48 779.0277710 0.02 779.8195190 0.12 783.4915771 0.08 784.6047974 0.22 791.2741699 0.95 792.8062744 0.19 793.9359741 0.13 797.5847778 0.12 799.7910156 0.09 803.8184204 0.10 814.3958740 0.04 815.1641846 0.02 821.8409424 0.37 822.6242065 0.22 824.5599976 0.08 825.5050659 1.04 826.9299927 0.32 828.2913208 0.09 829.8283691 0.31 833.4848022 0.05 834.4358521 0.27 844.7827759 0.22 845.9508667 0.03 846.7074585 0.06 848.3985596 0.68 856.1380005 1.05 857.9224243 0.15 859.2272949 0.24 860.7765503 0.18 861.4627075 0.08 862.5358887 0.07 863.6174316 0.18 865.4270630 0.55 867.6918945 0.27 868.3127441 0.02 872.4064331 0.40 873.6588745 0.16 875.8457642 0.38 879.5168457 0.43 880.5681152 0.27 885.6157227 0.50 888.4235229 0.34 890.4960327 100.00 891.5420532 30.30 892.1668091 0.06 892.8359985 0.08 899.5619507 0.76 903.6797485 0.03 906.6298218 0.13 915.6898804 0.07 917.4650269 0.08 920.1176147 0.15 924.0976562 0.20 936.2413940 0.10 936.8987427 0.11 944.1893921 0.06 945.6561890 0.05 947.1093140 0.12 948.8643188 0.18 951.2152710 0.16 952.2571411 0.05 958.6552734 0.05 960.3829956 0.04 961.0435181 0.13 964.5343628 0.19 966.2705078 0.35 967.8020630 0.49 972.4669800 0.15 982.7918091 0.13 983.7368774 0.07 985.9996948 0.12 987.7038574 2.84 988.5647583 0.88 992.8831177 0.06 993.4940796 0.12 994.2853394 0.05 1018.5169070 0.07 1019.9631350 0.08 1020.8171390 0.12 1025.0506590 0.23 1064.5152590 0.44 1065.3845210 0.08 1084.7810060 0.50 1085.7519530 0.08 1090.5510250 0.06 1112.8583980 0.13 1142.8256840 0.23 1155.7781980 0.27 1162.6824950 0.07 1166.7182620 0.09 1167.5910640 0.23 1168.3391110 0.07 1175.7983400 0.07 1195.0985110 0.12 1195.7658690 0.03 1210.6278080 0.12 1225.3687740 0.07 1228.0555420 0.11 1232.4967040 0.15 1295.6387940 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 689.1859 Annotation IB 00208 Peak:m/z Relative Intensity 215.0057831 0.15 248.9052582 0.05 255.4684143 0.03 259.2432251 0.04 272.8727417 0.02 288.2963867 0.12 300.2728882 0.05 312.1448364 0.20 326.4436035 0.04 327.1723328 0.02 328.1670532 0.06 340.0782471 0.04 342.2588806 0.09 355.2954102 0.11 368.4476929 0.06 372.1822510 0.05 373.0401001 0.01 381.1902466 0.03 403.3832397 0.04 411.2352295 0.03 414.3851318 0.03 416.2960815 0.06 426.4403687 0.05 429.2945557 0.12 436.3553467 0.12 441.1419067 0.19 445.2640381 0.03 452.9851074 0.01 456.4007568 0.04 457.3729858 0.03 461.1487427 0.11 462.2634277 0.03 468.3381958 0.02 479.8348389 0.06 486.3874512 0.35 491.3289185 0.06 496.3070068 0.09 500.4542847 0.04 509.2920532 0.08 510.4718628 0.03 511.5012207 0.03 512.3052979 0.09 516.1962280 25.14 517.1588135 1.34 518.2250977 0.10 522.4872437 0.02 527.4508667 0.03 528.0929565 0.17 530.4099731 0.23 542.0171509 0.03 543.6039429 0.04 556.4152222 0.15 558.2987061 0.05 560.0471191 1.01 560.6976929 0.06 566.4928589 0.03 568.3337402 0.02 570.3124390 0.04 574.2517090 0.04 585.2003174 0.03 589.3854370 0.11 594.9733276 0.12 596.3557129 0.25 599.2554932 0.05 600.4891968 0.10 603.3414917 1.43 604.5499878 0.04 609.2934570 0.04 610.9308472 0.09 614.5366821 0.05 615.2922974 0.10 624.4220581 0.08 627.2160034 5.78 628.2612915 0.46 642.4372559 0.04 645.2152710 100.00 646.2731323 6.07 653.0881958 0.08 654.2947388 0.15 655.2808838 0.18 658.2898560 0.32 659.6482544 0.28 660.5144043 0.87 671.1436768 1.83 672.4546509 0.37 673.5940552 0.12 674.5617676 0.13 680.2852173 0.14 681.4652100 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 810.4097 Annotation Unknow Peak:m/z Relative Intensity 226.1990967 0.22 227.4235535 0.21 233.1770020 0.31 249.8991241 0.03 265.3475037 0.12 266.2126160 0.08 276.4883728 0.16 285.8743591 0.41 295.1951904 0.19 296.2668152 0.32 299.9622803 0.05 302.2555542 0.14 307.2071838 0.04 308.1613770 0.27 311.9343567 0.51 313.1465454 0.53 322.5554810 0.10 325.3486633 0.32 329.2176208 0.05 335.3235779 0.27 339.2578735 0.08 342.2556152 0.24 343.4477844 0.09 356.2446289 0.46 361.2492065 0.54 362.3101196 0.25 363.1262817 0.06 369.4647827 0.06 380.3614502 0.15 389.0684204 0.38 391.2239380 0.32 392.2148438 0.05 393.5997925 0.06 394.3726196 0.14 406.1321411 0.47 407.2177734 0.33 408.4239502 0.34 413.0670166 0.10 414.4562378 0.07 418.2425537 0.15 421.9132690 0.16 426.3688965 0.14 427.5415649 0.08 428.4905396 0.22 438.3861084 0.21 444.0361328 0.15 448.3038330 0.17 460.3355103 0.09 462.6854248 0.31 467.4350586 0.04 477.3660278 0.20 479.4046631 0.35 480.1965332 0.16 483.2223511 0.16 484.2621460 0.18 488.4216309 0.17 489.2504272 0.32 490.1175537 0.16 495.0875854 0.29 497.3482056 1.04 498.3651733 0.11 499.7047729 0.40 505.1375732 1.42 507.3632202 1.30 508.3937378 0.44 509.7587280 0.61 512.3948975 0.52 514.2620239 0.09 519.2416382 0.20 520.1730347 0.25 524.1525879 0.44 525.3184814 1.44 526.2747803 0.14 531.3746338 0.35 541.4751587 3.01 542.4745483 0.31 547.5233154 0.24 548.2240601 0.13 549.0266113 0.60 558.7886353 0.11 560.3949585 0.10 561.3436279 0.18 562.3604736 0.19 563.4682007 0.15 566.9544067 0.12 568.0521240 0.12 579.4180298 0.38 580.5885620 0.44 582.2098999 0.76 584.2465820 0.25 586.4900513 0.48 587.3726807 0.23 588.1875000 0.20 590.4757080 0.12 591.9094849 0.07 594.7443848 0.51 596.4565430 0.44 599.4470825 0.04 600.7777710 1.20 601.4474487 0.12 602.5602417 0.08 604.5672607 0.14 605.9776611 0.37 607.6261597 0.61 613.3908081 0.09 614.6231079 0.49 616.6903076 0.61 617.3824463 0.09 618.0750122 0.17 620.4498901 0.11 621.9802246 0.66 622.8568726 0.56 623.8549194 0.34 624.5982666 0.23 626.7651367 0.13 628.1333618 0.09 628.8256226 0.06 630.5523071 1.05 631.4118652 0.88 636.0112305 2.10 637.1708374 0.46 638.3583374 0.54 639.1644897 0.26 640.3770752 5.29 641.4338989 1.46 642.5033569 0.26 645.2001343 4.83 646.2899780 0.76 647.3720093 0.05 648.3135986 0.86 649.3019409 0.66 650.0801392 0.23 651.6337891 0.28 658.8259277 0.73 659.4974976 0.69 663.7694702 0.15 671.8220215 0.44 672.5267944 0.38 674.4406128 0.10 675.6026611 0.15 677.0675659 0.75 678.4218750 0.08 680.3613281 2.65 681.0353394 2.63 685.6610718 5.75 686.6154175 1.92 687.7238770 1.19 689.1611938 0.12 694.6464233 38.75 695.3942261 3.30 696.2005005 0.22 697.1904907 0.07 698.2281494 0.17 700.0751953 0.40 703.7865601 1.83 704.8637085 0.25 709.4474487 0.27 710.5853882 0.14 712.8196411 1.80 713.5149536 0.15 714.6343994 0.35 715.6510010 0.25 717.2408447 0.20 720.3078613 0.09 721.3119507 0.82 722.1519165 0.26 723.1304321 0.26 725.8227539 0.56 727.0132446 1.37 727.6868286 0.20 728.4572144 0.12 730.1258545 12.57 731.1229248 0.65 732.5064087 0.14 734.4428711 0.61 735.2847290 20.04 736.0507202 3.82 736.7360229 1.04 737.9397583 0.40 739.4672241 0.84 741.9536133 0.18 742.9446411 1.56 744.1604004 100.00 745.5670776 0.81 746.5083008 1.13 747.2139282 0.50 749.2659912 0.23 751.4795532 0.17 752.9011230 1.78 756.7789917 0.18 757.8289795 0.22 761.0197144 7.78 761.8375854 1.05 762.6259155 0.18 765.6631470 0.42 766.4978638 0.24 769.9431763 0.47 771.8930664 0.46 773.1554565 0.49 775.4122314 0.27 776.3181152 0.04 778.5745239 0.53 781.0405884 0.08 782.5231323 0.07 785.0728149 1.05 785.9362183 1.00 786.6525269 0.37 787.4523315 0.74 790.7200317 0.17 793.1200562 2.22 793.7714844 0.31 794.6185303 3.41 795.6766968 1.24 798.7529907 0.45 799.5186768 0.14 801.7310181 15.06 802.7024536 0.82 803.8309937 0.11 805.0503540 0.04 819.7916870 0.19 820.7942505 0.15 828.3215332 0.18 838.7064209 0.12 843.1168823 0.12 846.6691284 0.29 847.6249390 0.68 848.6307983 0.29 855.4033813 0.35 860.4317017 0.05 863.4346313 0.50 864.6210327 0.36 865.7702637 0.13 872.9279785 0.08 883.5346680 1.58 884.7941284 0.20 885.6458130 0.09 886.9306030 1.27 892.4491577 0.32 894.5004883 0.12 901.5563965 0.15 903.5454102 0.14 917.8530884 0.09 924.5324707 0.11 927.3381958 0.25 936.3662720 0.22 937.3372192 0.13 943.5651855 0.12 946.5290527 1.81 947.5434570 0.50 948.5390625 0.18 950.8067017 0.63 955.7587280 0.56 961.7798462 1.94 962.5288696 1.83 963.6799316 1.26 973.1245117 1.04 976.4909668 0.43 980.6179199 6.17 981.6527710 3.83 982.5914917 1.89 983.6416626 0.40 992.7588501 0.09 997.7465210 0.48 998.8134155 0.06 999.4419556 0.35 1005.2344360 0.25 1005.8418580 0.97 1009.8882450 0.04 1014.6986690 0.23 1016.6030270 0.15 1025.8299560 0.06 1026.8808590 0.35 1029.3839110 0.06 1031.3918460 0.44 1033.4364010 0.11 1034.5778810 0.15 1035.9395750 0.59 1036.5942380 0.06 1043.8260500 0.25 1045.4606930 0.41 1056.9758300 0.12 1058.0291750 0.06 1060.5089110 0.04 1061.4927980 1.35 1062.6248780 0.34 1063.6201170 0.49 1064.5864260 0.42 1066.0893550 0.08 1072.7542720 0.18 1073.9218750 0.23 1075.6529540 0.51 1076.5705570 0.10 1078.1710210 0.48 1079.6004640 0.41 1081.2727050 0.13 1085.1948240 0.21 1095.5584720 7.35 1096.7170410 6.68 1097.6921390 0.85 1129.6687010 0.04 1130.9942630 0.09 1131.7470700 0.22 1132.6632080 0.10 1133.4340820 0.28 1134.6804200 0.22 1135.4733890 0.20 1144.6035160 0.44 1145.7429200 0.21 1146.7337650 0.15 1147.4053960 0.06 1148.4434810 0.29 1160.8442380 0.20 1162.6530760 2.46 1163.7810060 0.53 1174.2830810 0.45 1175.0286870 0.21 1175.7760010 0.39 1176.7270510 0.05 1177.9157710 0.60 1183.9381100 0.14 1191.6171880 0.12 1192.7746580 0.63 1208.7464600 1.45 1210.1916500 0.65 1210.9641110 0.05 1213.6585690 0.17 1214.7420650 0.32 1218.7277830 0.05 1223.3786620 0.53 1224.7694090 0.34 1225.7458500 0.08 1227.7033690 0.44 1228.4436040 0.12 1233.0366210 0.05 1234.4832760 0.16 1242.8908690 0.13 1243.6562500 0.23 1244.7752690 0.25 1245.8304440 0.41 1246.4965820 0.29 1255.9779050 0.11 1257.9190670 0.25 1259.7189940 2.94 1260.6094970 2.73 1261.7723390 2.27 1262.7821040 1.31 1271.6047360 0.57 1273.9713130 0.28 1274.6333010 0.28 1277.6180420 0.17 1282.4095460 0.21 1288.6635740 0.19 1289.8171390 0.51 1295.5809330 1.37 1296.7844240 1.29 1298.6845700 0.24 1299.3657230 0.04 1300.6662600 0.77 1304.9562990 0.29 1305.7078860 0.19 1307.5498050 0.15 1313.3937990 0.11 1316.7269290 1.83 1317.7486570 1.12 1329.3923340 0.49 1330.2395020 0.47 1333.0450440 0.04 1356.6816410 0.15 1359.7675780 0.10 1361.2559810 0.20 1364.9974370 0.16 1370.6424560 1.04 1371.9840090 0.06 1387.7064210 8.78 1388.7733150 3.72 1389.7752690 0.42 1406.5479740 0.27 1419.3488770 0.07 1423.9879150 0.20 1425.0733640 0.05 1425.9676510 0.12 1431.0921630 0.15 1452.9731450 0.21 1459.8094480 0.34 1469.6773680 0.16 1470.8236080 0.24 1474.6975100 0.12 1486.7386470 1.27 1487.4555660 0.44 1488.1550290 0.22 1488.9566650 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 542.29 Annotation Unknow Peak:m/z Relative Intensity 167.1718750 0.12 169.0410614 0.09 181.2109375 0.24 183.1152954 10.82 184.0763550 0.47 194.9809875 0.10 197.6957855 0.05 201.3489685 0.40 203.1177979 0.17 209.1455841 0.54 211.0651550 10.82 213.3645630 0.34 214.8837280 0.40 215.8225250 0.23 220.2846680 0.10 225.1826935 0.21 226.0818634 2.03 231.2384644 0.26 243.1152649 8.95 244.3603210 0.06 251.2106934 0.27 253.1164398 0.16 254.2200165 0.36 259.3575439 0.11 260.3806458 0.05 272.3218994 0.68 281.9055176 0.04 284.3981934 0.14 296.3200073 0.06 298.1167603 0.17 298.8055420 0.04 300.1544189 100.00 300.7593384 0.19 302.3135986 0.18 310.5365601 0.28 311.2666016 0.25 312.0568848 0.16 314.1502686 0.12 315.2485352 0.39 316.2645264 0.32 322.6215210 0.55 329.2034912 0.09 330.3634644 0.17 331.7625732 0.49 337.5614624 0.41 340.2787476 2.89 342.1358032 0.26 343.3565674 0.15 346.1441650 0.14 348.3184204 0.35 355.1440430 0.13 360.2653198 0.61 362.2058716 0.05 370.2988281 0.12 373.1259766 0.09 376.1663818 0.19 377.0449219 0.60 378.2633667 0.58 380.0875854 0.12 383.6829224 0.55 385.5284424 0.05 396.1168213 0.26 398.3602905 0.15 399.1141357 0.46 402.8505859 0.06 408.2346802 0.76 409.5614014 0.24 410.3297729 0.12 413.7809448 0.59 418.1479492 0.15 419.1917114 0.18 423.3135376 0.17 424.7691650 0.11 425.3847656 1.06 426.3414307 0.06 427.4222412 0.17 428.7635498 1.92 430.9684448 0.22 433.0358887 0.58 433.6625977 0.23 436.0946655 5.43 438.1164551 0.32 440.2481689 0.06 441.8651733 0.19 443.3875732 0.05 447.9629517 0.40 449.9216919 0.22 453.2383423 37.33 454.1501465 0.21 460.9764404 0.40 463.9367676 0.31 466.0353394 0.14 468.5385132 0.18 471.4172363 0.10 476.9142456 0.30 480.4880981 0.69 481.5998535 1.27 482.2672729 1.01 483.5985718 0.41 484.7579956 0.18 486.5446777 0.30 490.3579102 0.16 491.3925171 1.14 492.7743530 0.16 493.3825073 0.30 494.0223999 0.14 495.9175415 0.16 496.6230469 0.19 498.6262817 0.15 501.9817505 0.34 503.4956055 0.22 505.4845581 0.61 507.3149414 5.45 508.2047119 1.54 512.8157349 0.38 517.8867188 0.13 523.5809937 0.68 524.4046631 5.58 525.3206177 10.54 527.0601196 0.73 530.4468384 1.04 532.6932983 1.36 533.4714966 0.89 534.2048340 0.72 549.1583862 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 476.2777 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 140.0309296 0.13 153.0732422 0.07 194.9464264 0.09 196.0218201 0.21 214.1880188 1.63 223.7998047 0.04 235.3389893 0.08 261.5478210 0.02 272.2798462 0.09 279.2752075 100.00 286.0881042 0.06 335.1570129 0.29 363.6026611 0.09 405.7031860 0.28 412.0787354 0.26 414.4903259 0.09 415.7204590 0.10 430.4460144 0.10 431.4345703 0.17 439.5456238 0.23 441.2961731 0.08 457.8044128 0.69 458.4432678 0.13 459.2319031 0.06 461.3876343 0.04 462.1242371 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 414.23 Annotation Unknow Peak:m/z Relative Intensity 125.0701141 0.02 128.8984070 0.06 130.0626221 0.35 136.0933838 0.07 147.0738831 1.02 151.0859222 0.05 159.1927795 0.03 177.0848999 0.24 179.2199860 0.03 201.0765991 0.08 202.9604950 0.02 204.2155151 0.09 215.2343445 0.09 216.0488586 0.02 226.0357361 0.16 227.1666107 0.46 229.2352600 0.13 232.9885254 0.05 234.2090759 0.12 244.1123352 100.00 252.3068848 0.17 268.0810852 0.12 272.3789673 0.12 273.1880188 0.03 293.8792419 0.18 297.2350464 0.03 299.2558594 0.09 301.3412781 0.03 302.2143250 0.10 307.8314209 0.04 309.0639954 0.22 311.1738892 0.06 316.0372009 0.04 317.7752991 0.12 323.9978027 0.88 329.7568970 0.03 332.3732300 0.09 343.1894531 0.02 350.2400208 0.10 353.9945679 0.07 359.7098694 0.03 367.8038635 0.02 369.7885742 0.09 378.0160522 0.13 379.3294373 0.04 382.2037354 0.09 383.0655823 0.08 386.1379700 0.04 395.5774231 0.33 396.3182678 0.89 405.3628235 0.10 409.3902283 0.25 413.5888977 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 332.18 Annotation Unknow Peak:m/z Relative Intensity 100.0319366 0.02 101.9481201 0.48 104.0039673 0.10 111.0576553 0.15 113.1343002 0.04 113.8496704 0.06 115.8664474 0.88 116.6938858 0.04 119.9127731 0.04 127.1406708 0.03 128.9835968 0.05 143.0173798 0.98 143.9161377 19.53 144.9606323 0.14 146.0787354 0.14 147.9719238 0.43 150.1431580 0.13 151.2455750 0.07 153.0976868 0.18 157.1600189 0.06 161.9723053 100.00 163.1130676 0.04 169.9783630 0.38 170.9835815 2.54 172.1140289 0.05 175.2251587 0.02 180.1300507 0.03 182.2114716 0.03 185.0398254 0.65 187.2527008 0.10 189.1407166 0.06 190.4126892 0.05 193.0847626 0.30 196.7287140 0.06 197.8040771 0.04 200.1634979 0.25 201.2294769 0.38 207.0788574 0.13 208.1848755 0.20 209.1318054 0.09 211.0693970 0.66 213.1104431 3.46 214.2524109 0.32 215.1398315 0.47 216.0203247 0.04 217.2644958 0.32 218.0701599 0.12 218.9796448 0.22 220.3793640 0.12 222.1564026 0.10 226.0736084 0.03 227.1814880 0.34 228.4674377 0.37 229.1229248 2.65 230.1407166 0.04 233.3851624 0.24 235.0701599 0.34 236.6881409 0.29 241.4152527 0.05 243.0477295 3.95 243.9757385 0.04 248.6028442 0.15 250.3282776 0.21 251.1328735 0.16 254.2994385 0.22 255.0786133 0.03 256.0710449 0.11 260.1499939 0.27 261.1596985 0.39 262.1761475 0.03 266.3631287 0.05 267.3614502 0.17 268.1370850 0.12 269.5151978 0.39 272.0512390 0.06 279.0987244 0.16 284.2070618 0.09 286.0429077 0.44 287.1143188 0.17 288.2305298 0.15 290.9863281 0.05 292.5186768 0.22 294.3498535 0.09 296.2048340 0.13 299.9367676 0.84 300.5905151 0.01 301.3576050 0.23 302.2907410 0.12 304.0351562 0.09 306.1971436 0.10 308.3378906 0.18 310.8213501 0.10 312.3559875 0.08 313.5865173 1.33 314.2249756 5.45 315.1656799 0.74 315.8643188 0.11 316.9573364 0.23 319.5826721 0.20 321.9668884 0.17 322.9109497 1.78 324.3172913 2.80 325.9725647 1.20 326.6137390 0.13 327.3538818 0.33 340.2658997 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 513.2369 Annotation Unknow Peak:m/z Relative Intensity 146.2525940 0.15 173.1459351 13.44 174.0925751 0.49 174.8881531 0.21 183.2293701 0.23 185.1113129 0.10 186.8207855 0.07 200.9998474 10.16 202.0144196 0.60 211.3114319 0.13 215.3805542 0.13 225.4334106 0.16 233.0731201 0.32 243.9544067 0.12 250.9717102 0.43 252.0739746 0.13 253.1520691 0.71 254.0717773 0.31 269.3595581 0.38 279.0828247 0.30 297.4660034 0.12 298.1550293 0.26 316.1200562 3.13 318.3732300 0.36 322.4688721 0.12 323.0850830 0.10 327.0870972 0.27 340.4119263 0.24 350.2275391 0.29 351.1970215 0.32 354.9709473 0.08 367.9616699 0.07 371.4346924 0.18 380.0993652 0.18 382.3410034 0.14 384.3607788 0.18 389.7728882 0.70 391.4067993 0.85 395.4397583 0.68 411.9651489 0.07 413.2767944 2.66 413.9005127 0.92 414.5793457 0.30 415.6058350 0.23 428.1183472 0.25 431.0979614 1.02 432.8302002 0.37 435.4996948 0.26 437.2589722 0.75 442.4579468 0.44 445.7709351 5.24 446.3792725 0.81 448.7511597 0.24 454.9071045 12.19 457.2468262 0.24 459.7860718 13.98 460.9510498 0.39 461.5691528 0.41 465.3889771 0.54 468.7081909 19.65 469.3094482 1.98 469.9115601 0.99 470.8513794 0.29 474.0919189 0.60 475.5489502 0.08 477.3737183 0.44 479.4670410 0.18 480.8060913 0.62 483.3817749 0.19 484.3887329 0.15 485.3983765 0.47 491.0304565 0.10 494.1824951 0.29 495.4046631 1.60 496.3724365 0.24 497.2714233 0.82 498.4589233 1.61 499.1544800 0.49 502.2373657 1.90 504.2620850 8.01 505.2241821 1.42 506.7934570 0.58 510.2019653 0.24 512.2545166 0.14 523.5618286 0.08 524.3728638 3.84 525.4400024 0.40 527.4109497 0.72 556.5165405 0.42 571.9546509 0.10 573.2603149 0.24 575.7170410 0.07 593.5812378 0.07 594.8991699 1.03 598.1049805 0.49 604.3471680 1.55 621.4655151 0.42 630.5247192 0.58 640.5490112 0.79 645.3672485 0.44 651.6279907 0.48 654.5699463 0.46 656.6082153 0.27 658.3023071 1.14 659.8692627 0.78 680.5772705 0.09 687.4097290 0.11 692.4238892 0.18 695.3770752 0.72 700.9190063 0.31 701.7335815 0.44 702.4502563 0.08 705.5148315 0.81 708.5198364 0.61 710.4269409 9.25 711.4788818 1.23 713.5410767 0.28 718.4683838 0.21 725.2213745 0.32 731.6298218 0.31 733.6088257 0.35 736.4160767 0.44 738.5505981 0.43 750.6423950 0.76 751.7747192 0.13 754.8351440 0.17 755.4895020 0.85 773.4308472 5.88 781.7939453 1.03 783.5657349 0.56 784.6981812 0.07 789.5823364 0.33 805.4884644 2.14 807.4724731 2.03 808.4419556 0.90 813.6139526 0.22 823.5583496 2.39 825.4684448 100.00 826.5495605 12.25 831.4260254 0.24 866.8162231 0.19 877.3045044 0.12 879.6613770 0.19 880.8911133 0.25 912.9838867 0.14 936.5429077 5.39 937.5258789 0.84 948.2481079 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 311.22 Annotation trans-EKODE-(E)-Ib Peak:m/z Relative Intensity 90.82636261 0.25 99.12997437 0.20 104.9487 0.27 109.1678314 0.43 114.8988419 0.31 117.0954895 0.80 123.1192474 0.43 124.8867798 0.41 126.8530579 0.31 129.9783325 0.38 132.8276215 0.90 136.0297089 0.32 137.0254974 0.65 138.1843567 0.51 139.0452881 0.89 141.0303955 1.31 143.085144 1.83 145.1519775 0.96 147.9826355 0.27 149.0492249 0.57 151.1332245 1.45 153.0221252 0.88 155.1251221 2.15 157.2052307 2.54 161.004837 0.39 163.0822144 0.85 168.462616 0.94 169.0859528 0.94 170.0881653 0.78 171.0284576 1.19 171.8694763 0.70 177.1563568 0.90 180.9261169 1.58 183.1949158 0.89 184.0827332 0.34 189.3327332 0.18 191.0245209 0.36 192.9830475 0.45 193.8081055 1.03 195.0897827 5.11 197.0355377 1.95 199.2302856 0.43 201.197876 1.14 203.0205994 1.14 205.0969238 2.48 207.2539368 0.96 208.9491272 2.20 211.1219177 3.46 213.2534485 4.20 214.9065247 0.52 217.1641541 0.43 222.8399048 0.57 225.1531982 2.90 229.0796204 0.83 233.0302124 2.31 235.2106934 1.35 237.2859802 1.67 239.2893066 2.10 241.0285339 0.31 246.8101807 0.56 249.3522034 0.65 250.0147095 0.31 251.2288513 1.58 253.102478 7.75 254.9355774 0.34 257.0726929 0.98 261.4553223 0.55 263.3347778 0.44 264.168457 0.94 265.1453247 4.26 267.2259521 4.44 269.2998962 2.82 270.1864624 0.82 275.2314758 13.04 277.3778687 0.29 280.579071 2.09 281.182373 0.34 282.0142822 0.45 283.2182922 6.01 287.9945068 1.76 290.4261169 0.34 291.2189636 0.23 293.2059937 100.00 294.2172852 0.83 301.7125244 0.26 302.6302185 1.03 310.7374878 2.96 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 512.2749 Annotation Tyropeptin B Peak:m/z Relative Intensity 144.9822693 1.26 145.8619232 0.12 149.3447571 0.23 160.2057495 0.24 169.1388397 4.84 172.0546875 0.27 177.0155029 17.15 177.9363403 0.29 183.2171021 0.08 186.1082916 4.47 187.2761536 0.60 193.3052979 0.44 200.0550232 0.12 203.2860107 0.15 205.9525757 0.79 210.7714539 0.10 212.1919861 0.97 213.0542297 0.05 216.1205750 0.22 221.1965942 0.08 224.2850800 0.15 227.0599823 0.14 229.3850403 0.11 231.1593170 0.07 232.4161224 0.37 234.2535400 0.74 239.2558136 0.17 247.0929260 8.41 248.1006012 33.35 249.0297852 1.41 249.9768372 0.11 262.3565369 0.29 265.2103271 15.10 266.1780396 0.68 267.0746460 0.08 268.6582031 0.10 272.2583008 0.29 276.8829956 0.22 282.2350464 0.17 283.3897705 0.31 318.4263916 18.39 319.3630981 60.02 320.3191528 2.20 323.0485840 0.08 324.7883911 0.50 328.4745483 0.31 333.4628906 0.11 336.2700806 100.00 337.2478027 1.63 342.1638184 0.08 345.5014038 0.05 348.4181519 0.12 362.2084961 18.26 363.0634766 0.81 365.2947388 0.22 370.2951660 0.31 391.4587402 0.10 396.8239136 0.04 398.5294800 0.03 408.3706665 0.21 409.2062378 0.38 423.2053223 0.09 424.1201782 0.12 425.6363525 0.11 428.2165527 0.31 436.7217407 0.37 441.2960205 0.11 442.3941040 0.19 444.2888184 0.06 452.4091797 0.11 463.3222656 0.06 465.9832764 0.32 470.4824829 0.32 476.5560913 0.15 479.9358521 0.18 482.8499146 0.10 489.8682861 0.48 490.5499878 0.29 494.3976440 7.97 495.4354858 4.01 496.3872681 0.61 497.2625122 0.36 498.3046265 0.09 503.7719727 1.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 272.96 Annotation Ribose-1-arsenate Peak:m/z Relative Intensity 114.9073029 3.95 130.3033142 0.03 130.9652710 0.06 158.8957062 100.00 199.0000000 2.12 200.8607178 0.08 217.0302124 0.88 226.9743958 0.19 228.9116516 30.18 243.1846313 0.07 245.0798035 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.3579 Annotation Unknow Peak:m/z Relative Intensity 220.9548035 0.04 245.2933655 0.02 262.4123535 0.05 273.0000000 0.13 280.1866760 0.05 281.2069092 0.04 286.3023987 0.04 298.3711548 0.22 302.1217041 0.10 312.3357544 0.02 315.0816650 0.06 317.2997437 0.02 319.2801208 0.03 324.1684570 0.15 327.1691284 0.07 341.0010681 0.06 346.3026123 0.02 351.2819214 0.03 353.2206421 0.09 364.3335571 0.04 369.3133545 0.24 385.1342163 0.04 389.1530762 0.02 391.2343140 0.06 397.3261108 0.72 398.3978882 0.15 399.2853394 0.09 418.4830933 0.07 433.3906250 0.03 454.5797119 0.08 456.4887085 0.30 457.2091675 0.03 462.5535278 0.08 463.2643433 0.03 468.5458984 0.05 469.3617554 0.06 470.4051514 0.02 475.2587280 0.02 476.5290527 0.05 484.1447754 0.05 486.2843628 9.26 487.3546143 1.49 493.2551880 0.03 495.5384521 0.06 496.3243408 0.25 500.4828491 0.07 502.6164551 0.11 509.9346924 0.13 512.4429932 0.16 514.0446167 0.15 517.4253540 0.08 520.0487061 0.21 527.5651245 0.09 528.2178345 0.12 529.0120239 1.29 530.0866089 0.06 532.7178345 0.20 535.0238037 0.04 538.0829468 0.10 544.4744873 0.17 546.3181152 0.03 550.2111816 0.13 552.3131104 0.19 555.2946777 0.04 561.3009644 0.45 562.3105469 0.22 564.2180176 0.89 564.9505615 0.36 567.6972046 0.14 569.3721924 0.03 571.2490234 0.46 571.9092407 0.18 576.5562134 10.53 577.8411255 0.38 579.2092896 0.09 579.9756470 0.06 581.7880859 0.22 585.5984497 18.62 586.6199951 0.21 587.3512573 0.02 588.0202026 0.02 588.8408813 0.05 589.6693726 0.06 591.0885620 0.17 592.3759766 0.04 593.4097900 0.02 594.7224121 0.24 595.7512817 0.09 598.5000610 0.06 599.6307373 0.39 607.0228882 0.06 610.5328369 0.18 611.7320557 0.03 612.3903809 0.19 613.9465942 0.24 615.0178223 0.08 616.3459473 0.06 618.7276001 0.06 621.0454102 2.37 622.1509399 0.22 623.3918457 0.05 624.6340942 0.09 625.8637085 3.29 626.5656128 2.53 628.6520386 0.03 630.3457642 0.05 633.4144897 4.98 635.0811157 100.00 636.0968628 1.92 636.8894653 0.50 637.7222290 0.53 638.4773560 0.45 639.7483521 0.06 641.0917969 0.09 642.8630371 0.29 643.9306030 0.54 649.5300903 0.14 651.2340088 0.21 654.4657593 0.45 658.5725098 0.13 659.4718628 0.12 661.3221436 0.25 662.2899780 0.30 663.7639160 1.42 666.3705444 0.09 667.1656494 0.24 668.0553589 0.21 670.1810303 0.70 671.0894165 0.15 686.0267944 0.06 690.8762817 0.12 700.7625122 0.14 707.4419556 0.03 708.0427856 0.06 711.4646606 0.04 714.3665161 0.02 725.4503784 7.65 726.4671631 2.10 729.5746460 0.25 732.5945435 0.29 737.6118164 0.02 739.4143677 0.05 741.5551147 0.04 744.1325684 0.09 745.1328735 0.13 747.7749634 0.09 754.0405884 0.16 755.7009888 0.04 757.5792847 0.05 758.6154175 0.25 768.5401611 0.04 774.6858521 0.11 779.6948242 0.03 780.5794067 0.06 782.4042969 0.05 786.3663940 0.05 793.0894165 0.11 793.7697754 0.02 795.8237305 0.25 798.4039307 0.02 808.5741577 0.04 812.6448975 0.05 814.1825562 0.02 824.5088501 0.08 826.6494141 0.04 827.8202515 0.06 828.9105225 0.17 831.0715942 0.11 835.3034058 0.15 836.7514648 0.10 844.4514771 0.27 851.4025269 0.32 853.8239746 0.04 855.3396606 0.05 865.4703979 0.03 866.5028687 0.11 868.9665527 0.06 870.3903198 0.11 871.8779907 0.42 872.5090332 11.76 873.5899048 5.56 893.5786133 0.12 896.8219604 0.06 901.3876953 0.08 902.5148315 0.15 904.8378906 0.06 908.7502441 0.08 911.3053589 0.08 916.8554688 0.12 924.8090210 0.05 926.5991821 0.04 938.3547974 0.08 939.8942871 0.04 941.6206055 0.08 947.4208984 0.03 951.6301270 0.08 954.0217285 0.02 955.0823364 0.05 959.3625488 0.10 960.1887817 0.08 964.3832397 0.28 968.4777832 0.07 969.4337769 0.25 970.0773315 0.02 971.5968628 0.05 994.7255249 0.05 996.7555542 0.05 998.4937134 0.05 1005.1022950 0.02 1007.7866210 0.02 1022.7605590 0.12 1025.1914060 0.04 1027.5883790 0.30 1028.4488530 0.06 1029.7359620 0.08 1039.2684330 0.23 1039.8793950 0.15 1054.7175290 0.02 1056.4248050 0.63 1057.6389160 0.29 1063.0579830 0.05 1063.7296140 0.06 1086.7756350 0.04 1112.6665040 0.37 1122.1704100 0.13 1124.8580320 0.12 1139.0268550 0.14 1141.8137210 0.08 1143.2650150 0.18 1145.4388430 0.02 1151.9853520 0.08 1153.7170410 0.02 1154.9162600 0.05 1155.7072750 0.04 1169.6210940 11.09 1170.6110840 5.84 1171.5677490 0.07 1198.0551760 0.10 1239.5281980 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 311.22 Annotation trans-EKODE-(E)-Ib Peak:m/z Relative Intensity 90.78658295 0.68 95.12791443 1.10 96.83096313 0.18 98.30947876 0.22 99.10665894 0.79 101.0042343 0.51 104.9598465 0.24 108.9719696 0.85 110.6607819 0.47 114.89608 0.14 116.9719696 0.53 120.929718 0.20 123.0652618 0.24 125.1151733 0.38 125.9939117 0.43 127.2122116 1.46 131.0925903 0.37 133.0453033 0.32 135.1786194 0.97 137.2246399 0.52 141.1355438 0.30 143.3852997 0.61 144.9796753 0.15 148.8223572 0.67 151.2434387 0.95 152.8523865 0.94 160.9369965 0.22 163.1042938 0.92 164.9808197 0.36 167.1532898 0.59 173.0391541 1.32 175.1325378 0.82 177.233429 1.66 179.343689 0.30 181.0228119 0.79 183.2263489 2.09 184.9206848 0.21 190.9564514 0.34 193.3503723 3.68 195.0318909 0.71 197.1656799 2.83 198.1014252 0.37 199.1085358 0.18 203.1240234 0.64 205.1503601 2.42 207.1155701 0.41 208.9820557 0.25 211.0052185 2.47 212.065155 0.31 213.1164551 1.46 215.1677551 1.32 219.456604 1.01 221.0524902 3.33 223.1138 1.94 224.2944641 1.37 225.2409973 1.48 226.9176636 3.46 228.2702942 0.22 229.0340576 1.27 230.1547546 0.27 231.027832 0.67 232.8004761 2.34 235.159668 1.16 237.2983093 1.70 239.2136536 3.45 241.0444336 1.66 243.090332 0.51 245.0411377 0.75 246.9732056 0.74 247.5928345 0.17 248.3006287 0.15 250.3278503 0.75 251.1083069 2.01 253.1126404 9.57 255.2979736 0.57 257.1698914 1.81 263.744873 0.49 265.2070618 2.76 267.1852417 0.97 268.5185547 1.55 269.2450562 1.59 270.1696167 0.42 275.2529907 13.66 277.0827637 0.69 280.2059937 0.97 281.2722168 0.21 282.1518555 1.07 283.2392883 4.40 293.20224 100.00 294.5799866 0.47 296.9647827 0.49 302.1654053 1.25 302.9407349 0.56 311.3961792 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.1665 Annotation Unknow Peak:m/z Relative Intensity 241.7475281 0.04 283.9886169 0.03 298.9050293 0.06 306.2864685 0.03 319.1918335 0.15 323.3777466 0.07 329.3846130 0.04 330.3185425 0.10 383.1399536 0.03 399.1900635 0.15 405.0748291 0.15 419.3252563 0.09 420.8527222 0.02 429.2183838 0.36 437.3959351 0.07 438.5886230 0.04 439.2836304 0.03 447.2737427 3.58 450.5849609 0.05 453.4747925 0.03 459.1423340 0.15 467.7247314 0.03 485.4568481 0.07 486.4959106 0.32 487.2933960 0.02 489.4688721 0.04 497.0651245 0.05 505.0344238 0.10 513.1492920 0.03 514.3757935 0.13 532.2380981 0.06 533.3980103 0.03 535.5804443 0.11 548.1921997 0.06 551.2151489 0.27 560.2208252 0.06 561.2186890 0.52 565.6412354 0.04 566.6069946 0.03 568.2636719 0.05 570.8798218 0.03 579.2279663 0.17 590.9810791 0.03 594.1481934 0.08 598.8986206 0.02 609.2975464 2.02 616.0081177 0.08 617.7249146 0.02 632.4132690 0.11 642.3977051 0.11 644.5277710 0.08 647.4679565 0.10 648.4841919 0.15 649.4132080 0.15 651.3253174 100.00 655.5882568 0.17 658.4020386 0.39 659.3305664 0.14 661.3078003 0.21 664.2698364 0.43 665.1167603 0.19 668.8771362 0.07 672.6638184 0.40 673.4843140 0.48 676.6647339 0.33 677.3589478 0.05 680.0023804 0.13 685.4409180 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 683.2245 Annotation Citbismine C Peak:m/z Relative Intensity 339.1333618 0.12 341.1778564 100.00 377.0536499 0.08 473.2572021 0.02 475.8199463 0.07 479.4818115 0.03 484.4514771 0.05 497.5371704 0.03 521.0224609 0.03 553.3619995 0.03 591.2661133 0.07 593.3136597 0.03 639.5130615 0.07 665.0734253 0.03 665.7122803 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1175.5765 Annotation IV2Fuc-nLc4Cer Peak:m/z Relative Intensity 552.1918335 0.29 556.3451538 0.39 580.3363037 0.11 582.4398193 0.13 592.4834595 0.24 600.2226562 0.16 611.4467163 0.17 627.7875977 0.11 658.6158447 0.13 667.1992798 0.17 703.3347168 0.76 764.0433350 0.04 773.5795898 0.08 790.5993652 0.11 828.6611328 0.28 860.3370361 0.09 873.2291260 0.29 879.6148682 0.16 894.3918457 0.07 913.2008057 1.14 939.5842285 0.56 940.8773193 0.14 957.4937744 0.36 983.5870361 0.05 995.4916992 0.04 996.1903076 0.45 996.8132324 0.17 1008.8444820 0.25 1026.5461430 0.92 1038.5257570 0.16 1040.5742190 0.20 1044.5303960 0.26 1052.7567140 0.34 1055.8857420 0.06 1070.1966550 0.39 1071.6093750 1.58 1083.5806880 0.85 1101.5922850 69.10 1111.7453610 0.23 1113.5649410 3.34 1114.4411620 0.08 1115.5875240 0.96 1127.4689940 1.21 1128.2496340 0.07 1131.5025630 100.00 1132.3295900 0.35 1133.3034670 0.15 1141.5952150 0.13 1145.5688480 84.25 1153.1877440 0.34 1157.3278810 4.91 1158.1710210 0.13 1159.0521240 0.03 1159.9147950 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 78.92524719 0.54 80.97163391 1.92 95.02922058 1.45 95.70484924 0.61 97.23184204 0.50 103.0211334 3.46 104.9512939 0.65 106.9498596 2.29 108.9239349 0.54 110.9365692 0.69 112.0254517 1.02 114.9768829 1.29 116.098587 0.23 118.8348999 0.95 121.2153473 1.53 123.1249237 1.73 125.0146332 0.32 127.033432 4.33 128.8635254 12.90 129.4887238 0.56 130.0909119 1.00 132.9046173 1.15 135.1044769 3.09 137.1264343 0.44 140.9539795 2.50 143.0148468 0.29 146.8975677 2.53 148.0539093 0.67 150.9395294 86.68 151.9179077 6.07 152.6261139 1.36 153.8028412 0.26 159.0623016 0.34 161.1803131 2.68 163.1675262 0.67 165.0767975 1.24 166.1159668 1.03 166.9517975 3.13 169.1094818 2.78 170.1961823 1.04 171.0069885 0.98 171.9838867 0.47 174.9155121 1.92 179.0874329 1.04 182.0798492 5.04 183.0870361 1.66 184.9862518 6.28 188.8922882 2.94 190.1830292 0.49 195.178894 0.33 197.0651093 3.00 199.2144318 0.15 205.2838745 0.56 206.4411621 0.76 207.0986023 5.25 209.2102966 0.89 210.2168121 1.03 211.1419373 3.90 212.2224121 0.55 217.0824738 5.78 223.0369568 1.04 225.1591492 9.52 225.9032135 0.29 235.171875 26.57 236.1926117 1.26 238.0898895 13.41 239.1314087 3.68 251.3338013 0.70 253.088501 100.00 254.1903076 5.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1467.6558 Annotation Scaberoside Hc1 Peak:m/z Relative Intensity 427.7915039 0.05 467.1928711 0.38 471.4031677 0.19 567.8599243 0.05 579.2149048 0.01 583.4331055 0.05 603.8028564 0.04 615.6475830 0.02 633.5576172 0.13 675.5218506 0.03 759.8597412 0.14 777.5172119 1.08 794.6846313 0.11 795.5036011 1.54 796.1809082 0.09 819.6818237 0.05 835.5329590 0.01 836.5863037 0.06 837.3946533 0.20 849.2912598 0.02 878.6546631 0.01 879.6480103 0.01 903.3007812 0.05 913.8487549 0.05 921.6271973 0.03 937.6783447 0.08 939.4692383 3.57 940.1610107 0.07 945.1750488 0.04 957.5012207 6.80 958.1793213 0.05 979.3463135 0.02 980.9047852 0.05 981.5797119 0.60 982.3587646 0.05 997.5731201 0.47 999.5170898 100.00 1000.2740480 0.11 1013.3205570 0.04 1041.5292970 1.09 1081.5085450 0.32 1083.5476070 0.04 1107.6640620 0.02 1129.3588870 0.08 1161.4094240 0.03 1189.6387940 0.01 1206.9530030 0.02 1218.6594240 0.03 1264.0042720 0.02 1281.0141600 0.13 1306.9776610 0.06 1314.3010250 0.02 1322.9587400 0.22 1323.5664060 0.37 1332.8608400 0.02 1338.1754150 0.02 1346.4982910 0.03 1360.2520750 0.03 1364.3300780 0.07 1365.2781980 0.14 1404.6378170 0.02 1405.7880860 0.05 1407.2142330 0.03 1435.8817140 0.03 1437.6989750 0.05 1439.6700440 0.03 1448.6330570 0.04 1449.4694820 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1347.6193 Annotation Unknow Peak:m/z Relative Intensity 405.2545776 0.04 425.4544678 0.13 467.2130737 0.77 471.5430908 0.29 509.0808105 0.06 579.5590820 0.10 593.5705566 0.08 596.4155273 0.03 599.3338623 0.05 615.4880371 2.04 621.5961914 0.15 630.3771362 0.04 631.7960205 0.06 633.4909668 4.67 649.5893555 0.10 657.5626221 0.03 669.5169678 0.02 675.5496826 0.73 687.6682739 0.15 699.6798096 0.05 713.6292725 0.07 729.2460938 0.02 741.5589600 0.14 759.3259277 1.70 759.9511108 0.11 777.0004883 1.04 777.6710205 8.51 795.4646606 4.83 800.9628906 0.03 819.4492188 15.53 820.0913696 0.06 835.3098755 0.13 837.4311523 51.58 838.0362549 0.87 861.6548462 0.09 877.5015869 1.05 879.3900146 100.00 880.1129150 0.30 919.3275146 0.10 921.3858643 0.84 961.6010742 0.24 1023.2366940 0.07 1125.3092040 0.14 1203.2631840 0.06 1245.6345210 0.23 1276.7644040 0.11 1305.4346920 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 682.1258 Annotation Unknow Peak:m/z Relative Intensity 193.1267853 0.13 195.1546021 0.03 201.1555176 1.38 202.1165924 0.09 212.1633911 0.10 214.1583252 0.23 217.1170654 0.05 224.1909180 0.08 231.1787262 0.10 237.4006958 0.03 242.1345215 0.03 247.1170959 0.07 255.1255493 0.49 258.1643677 0.03 263.5145264 0.02 272.2097473 0.05 279.0436401 0.06 283.2241821 0.02 285.3532410 0.01 288.1577148 0.05 296.9986877 0.04 300.2185059 0.48 303.2171021 0.05 310.1256714 0.03 312.7787781 0.16 314.2935181 0.03 323.3014526 0.04 325.1860352 0.05 326.3417358 0.02 329.0080566 0.03 342.1394653 0.02 343.3750610 0.02 345.2197266 0.05 346.0358887 0.02 351.1815796 0.03 355.2703857 0.09 356.7925415 0.03 361.9942017 0.18 363.1738892 0.42 368.3240356 0.15 369.1495972 0.14 370.8518066 0.02 373.3163452 0.04 389.9985962 0.04 392.1781006 0.12 393.1810913 0.02 394.9632568 0.03 397.0815430 0.14 399.3788452 0.05 404.4400024 0.12 407.2508545 0.06 409.8491821 0.03 410.7363281 0.04 413.6101685 0.07 416.4519043 0.11 432.3872681 0.05 435.0843506 0.06 436.2620239 0.06 437.2678223 0.02 441.5890503 0.04 445.1634521 0.10 446.3885498 0.05 447.0517578 0.15 449.2942505 0.36 451.4699097 0.03 455.3095093 0.03 457.9055786 0.04 462.0963745 0.05 463.2641602 0.29 464.3109741 0.16 467.1464233 0.10 468.8770752 0.09 470.3061523 0.06 472.3579712 0.04 474.3091431 0.04 482.3605347 0.10 483.2020264 0.14 484.7653809 0.09 487.3649292 0.02 488.3783569 0.03 490.0667725 0.10 496.3125610 1.43 497.5343628 0.10 498.7366943 0.28 501.5595703 0.21 503.8352661 0.21 504.6925659 0.09 505.5444946 0.10 506.2920532 0.12 507.3894043 0.08 509.5950317 0.04 510.9097900 0.14 512.6945801 0.56 513.4668579 0.67 514.4202881 0.12 515.9759521 0.17 517.3659058 0.16 520.1715088 0.21 522.5942383 0.18 525.5045776 0.08 527.4480591 0.09 528.5841675 0.02 530.1948242 0.08 531.0382080 0.16 535.6212158 0.17 537.2980347 0.09 538.3675537 0.32 542.2732544 0.04 547.3695679 0.02 548.9699097 0.10 550.2017212 0.02 553.3743286 0.03 554.4055786 0.09 555.4070435 0.22 557.5467529 0.24 560.0072632 0.52 563.0185547 1.70 565.2353516 0.04 569.3554077 1.42 570.0840454 0.14 570.9111938 0.10 575.6849365 0.09 576.5270386 0.05 578.3674316 0.04 579.6199341 0.21 581.2547607 0.53 582.2012329 0.22 584.2689819 0.04 585.5361938 0.04 586.8800659 0.09 588.1986084 0.04 591.6431274 0.44 592.3049927 0.04 593.3804321 0.18 594.5952759 0.24 595.8798218 0.34 596.5337524 0.03 597.4893799 0.26 600.3436890 0.18 601.4598999 0.14 603.3117065 0.52 604.4970093 0.26 605.1591797 0.93 606.2639160 0.18 607.3051758 0.03 608.3814087 0.37 609.0679321 0.09 610.7673950 0.95 611.6059570 0.89 612.5311890 0.12 613.5307617 1.01 615.2471313 0.28 616.1080933 0.05 616.9515381 0.75 617.5607300 0.09 619.8445435 0.86 620.9667358 0.12 622.2546997 0.08 623.6131592 0.39 624.6533203 0.27 627.1085815 0.14 628.0014038 0.13 629.7413330 0.09 630.5045166 0.20 632.5513916 0.90 633.8778076 0.23 634.8829956 0.25 636.5009155 0.40 637.4160156 0.37 638.2564087 0.29 639.3224487 0.24 642.3724976 0.14 643.6171265 0.43 644.3169556 0.14 645.2727051 0.02 646.0848999 0.08 648.5899048 0.14 649.2309570 0.30 650.3745728 0.25 653.6525879 0.12 654.8435059 0.14 655.4702759 0.08 656.6542358 0.56 657.3747559 0.19 658.5723877 0.11 660.3986206 0.26 662.6093140 0.05 663.5775757 0.42 664.2699585 0.41 665.0932007 0.22 666.1466675 0.29 667.0280151 0.45 667.7327271 0.19 669.5020142 1.04 670.5917358 0.32 671.2446899 0.22 672.2373657 0.37 673.6680298 1.19 674.3560791 0.06 687.1438599 0.05 690.5112305 0.08 695.0419312 1.05 696.5621338 0.08 699.5060425 0.41 700.7471924 0.04 702.3915405 0.06 707.1032104 0.11 708.6972046 0.07 709.6156006 0.07 711.6085205 0.15 712.9517212 0.09 714.3740234 0.35 715.4031372 0.11 717.6273804 0.04 720.1620483 0.21 720.8907471 0.12 724.3919067 0.05 726.6586914 0.02 733.4299927 0.05 737.1513062 0.10 740.4638062 0.13 742.0219116 0.57 743.0576172 0.13 747.2272339 0.11 748.5310669 0.11 750.6100464 0.76 751.4315186 0.04 753.3717041 0.06 756.6416016 0.05 759.7318726 2.95 761.0744629 0.91 762.4253540 0.08 763.4638062 0.10 764.7761230 0.39 770.0198975 0.47 770.7235107 0.40 771.3627319 0.02 772.5104980 0.09 773.6839600 0.09 774.7294312 0.02 776.2699585 1.10 777.4649048 0.16 779.2349854 0.02 782.3051147 0.04 786.3075562 0.54 786.9906616 0.10 788.6497192 0.21 789.4800415 0.05 790.7625122 0.15 791.7895508 0.22 792.5481567 0.02 793.1736450 0.04 794.2300415 0.30 795.2145386 5.75 796.2295532 0.25 798.5066528 0.23 799.4240112 0.33 801.7569580 1.06 802.3904419 0.04 803.3903198 0.34 804.9827271 0.37 805.6867065 0.06 808.7691040 0.50 809.7849731 5.30 810.9861450 0.04 813.2789307 0.03 814.0120239 0.06 815.7310791 0.30 817.6694946 0.04 818.4197388 0.07 819.7338867 0.06 826.5806885 0.14 828.2527466 0.67 829.0346069 0.03 830.7399902 0.31 831.8887939 0.30 833.5908203 0.28 835.4259644 0.16 836.8611450 4.81 837.7650757 0.78 838.6737671 0.05 841.0687866 0.08 842.7400513 100.00 843.9207153 1.33 845.0091553 0.76 846.0562744 0.64 846.7396851 0.13 847.7359009 0.15 848.3429565 0.24 849.1795044 0.04 850.8051147 0.26 851.8739014 1.21 853.1150513 0.04 853.9116821 0.11 854.8878784 0.09 857.7580566 0.02 858.6079712 0.16 860.3332520 0.50 861.1699829 0.22 862.5411987 0.04 864.5794067 0.12 865.5571289 0.05 866.2380981 0.09 867.8455200 0.44 869.6128540 0.23 871.1265259 0.10 872.8444824 0.10 873.5486450 0.09 874.8811035 0.06 876.6624146 0.09 877.6517944 0.07 878.5350952 0.17 879.3880005 0.18 891.1838379 0.17 892.1847534 0.09 894.1565552 0.34 898.0732422 0.13 898.8890991 0.05 900.5068359 0.38 901.2693481 0.27 901.8898926 0.17 902.8362427 0.07 903.4832153 0.04 904.5116577 0.07 906.5547485 0.02 907.7017212 0.06 908.6464844 0.26 909.8703613 0.06 912.1043091 0.03 913.5856323 0.04 914.2609863 0.19 915.8276978 2.37 916.5228882 1.08 917.1459961 0.79 918.0878296 0.20 918.8293457 0.10 920.5880737 0.03 922.0553589 0.06 923.2340698 0.05 925.4997559 0.49 926.4082642 0.07 928.9550781 0.72 929.6804810 0.21 930.4451294 0.08 931.7752075 0.09 932.3879395 0.07 935.7519531 0.31 940.5788574 0.01 943.2277832 0.19 946.5737915 0.02 948.8588257 0.36 949.6904907 0.13 950.6436157 0.06 956.7893677 0.18 957.5199585 0.05 958.8001099 0.12 961.6326294 0.12 963.5996704 0.10 964.6868286 1.75 965.7622681 0.41 966.3659058 0.09 970.9404297 0.26 971.9497070 0.07 972.6494751 0.05 974.2214966 0.06 978.5910645 0.08 990.0299683 0.03 1002.3295900 0.09 1003.2580570 0.07 1005.4789430 0.12 1006.5291140 0.08 1008.1101070 0.04 1012.5329590 0.04 1013.9983520 0.03 1014.7219240 0.17 1021.1491090 0.04 1024.5751950 0.77 1025.6054690 0.22 1030.2915040 0.04 1038.5878910 0.02 1042.7800290 0.11 1054.3371580 0.12 1060.6464840 0.05 1061.9305420 0.09 1064.5073240 0.20 1068.5229490 0.03 1073.8198240 0.03 1076.0688480 0.04 1088.6220700 0.02 1090.2429200 0.05 1092.1943360 0.04 1098.2355960 0.11 1099.9621580 0.04 1114.9025880 0.08 1119.6262210 0.03 1121.3237300 0.05 1132.4737550 0.15 1133.3242190 0.08 1134.7492680 0.04 1137.6831050 0.04 1144.3051760 0.06 1157.9534910 0.08 1164.8154300 0.05 1178.4924320 0.05 1183.7835690 0.15 1196.4560550 0.05 1201.9014890 0.04 1202.8569340 0.02 1203.5125730 0.14 1221.1057130 0.02 1245.7348630 0.07 1257.8803710 0.08 1272.6910400 0.08 1299.6768800 0.07 1300.4788820 0.07 1315.9161380 0.04 1337.4400630 0.08 1353.8509520 0.04 1386.0999760 0.02 1402.4505620 0.08 1420.9111330 0.04 1456.4102780 0.05 1487.7014160 0.02 1616.6910400 0.07 1627.9224850 0.08 1646.0184330 0.16 1648.9588620 0.02 1682.8951420 0.05 1699.3220210 0.09 1709.7581790 0.05 1953.5950930 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 654.2991 Annotation Unknow Peak:m/z Relative Intensity 323.0375977 0.13 369.0217896 0.04 383.5382690 0.13 407.2218628 0.05 425.5571899 0.04 440.1797485 0.12 449.9620361 0.02 451.3784790 0.04 467.2934570 2.99 492.4564819 0.06 493.1401978 0.09 507.0029297 0.09 528.3612671 0.18 563.3522339 0.05 578.2996216 0.05 582.3894653 0.04 591.5177612 0.19 593.3781128 0.17 600.2285767 0.06 608.1207886 0.42 609.2785645 0.03 616.4995117 0.30 618.4461670 0.12 624.7515259 0.02 631.4575806 100.00 633.5222778 1.30 634.4627075 0.45 635.2811890 0.19 636.4917603 0.36 637.0996704 0.05 638.6872559 0.11 639.7250977 0.05 641.1558228 0.06 667.1015015 0.02 777.1646118 0.20 777.7720337 0.17 793.6868896 0.06 795.4715576 9.45 796.4702759 1.03 837.5593872 0.09 839.3494263 0.15 895.6552124 0.42 1101.6721190 0.24 1120.1159670 0.16 1219.1956790 0.07 1248.5831300 0.07 1263.5687260 2.49 1264.6624760 0.80 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 516.1639 Annotation Neoacrimarine G Peak:m/z Relative Intensity 149.2019501 0.09 158.2046814 0.06 161.9195251 0.68 175.0148926 0.15 177.0940704 1.51 178.9181366 2.03 187.2892914 0.34 188.8763428 0.12 192.1592102 0.31 193.2453003 0.21 194.0233154 0.08 200.2070007 0.06 205.8980103 0.16 209.0768127 3.68 211.9674683 0.14 225.1511688 0.15 233.0302582 0.87 234.0925903 0.68 238.8946228 0.05 243.4585724 0.04 245.2531586 0.15 246.8898926 0.14 248.1700897 0.10 259.2970581 0.07 261.2533569 0.17 265.1578674 0.07 267.2478027 0.12 269.9749451 0.19 272.1253052 0.05 279.4394531 0.05 282.1943359 0.42 286.1094666 0.31 289.0935059 0.08 290.0542603 0.05 291.1098938 0.46 298.3411865 0.08 306.1438599 0.31 308.2062378 34.77 313.3799438 0.20 314.0842285 0.65 315.1878662 0.29 320.3381958 0.09 322.8453369 0.16 323.4809570 0.11 324.1910400 0.47 329.8358765 0.22 330.4678955 0.11 340.1490479 0.18 341.4752808 0.24 342.3335571 0.10 346.6171265 0.07 348.3137207 3.11 354.2797241 0.19 355.1372681 0.24 359.1115112 0.13 362.7695312 0.44 364.3740845 0.41 366.0515747 0.14 369.2755737 0.15 370.1035156 0.28 373.3818359 0.35 374.3612671 0.16 377.1378784 0.26 381.5928345 0.16 387.0323486 2.14 394.3393555 0.63 395.8764038 0.03 405.2048340 0.36 406.4344482 0.19 410.1535034 0.18 411.8959351 0.53 413.4941406 0.76 421.8583374 0.22 424.4077148 0.11 426.4483643 0.15 440.2700806 0.52 441.5798950 1.71 442.5096436 1.16 443.5565186 1.57 447.5031128 0.56 450.0221558 0.27 452.0485229 0.18 453.5866089 0.12 454.2114868 0.14 455.2253418 0.09 456.4206543 0.24 458.3125000 1.50 459.6213379 0.31 460.5266113 0.13 463.4017944 1.59 464.0114136 0.27 470.4599609 0.85 472.0630493 0.07 472.9800415 0.15 476.2108765 2.90 477.3225708 0.35 481.5158081 0.60 482.5076294 0.27 483.2941895 0.18 487.3284302 0.13 488.0016479 0.33 492.5668945 0.11 494.4407349 0.59 498.3550415 100.00 499.2556152 1.09 500.4183350 0.22 501.1708984 0.72 503.6107178 0.63 506.8066406 4.48 507.4691162 2.97 509.3982544 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 512.1703 Annotation Acrimarine H Peak:m/z Relative Intensity 153.1098633 0.02 154.0831451 0.01 159.1288452 0.01 159.8401184 0.07 161.0907135 0.02 166.2643280 0.03 167.1107788 0.02 171.0390625 0.01 174.0557861 0.04 177.0720673 0.04 178.0133057 0.02 178.8867188 0.05 181.3076782 0.01 183.9655457 0.05 184.9304352 0.03 186.2284241 0.02 190.9012146 0.09 192.1238403 0.11 192.9979248 0.01 194.2610474 0.01 200.3866577 0.02 201.3013000 0.03 207.0588989 0.46 210.1160736 0.70 211.3012238 0.18 213.1212463 0.03 218.0249023 0.06 236.2209930 0.03 237.3765717 0.03 242.1079559 0.13 243.2139282 0.10 244.1240234 0.06 253.2983704 0.03 254.2333069 0.12 254.9328613 0.01 257.3638306 0.03 261.2519531 0.01 268.2511902 0.62 269.1233521 0.30 270.1400146 0.07 271.2630615 0.05 283.2931519 0.03 286.1254883 2.62 287.1656494 0.88 288.1277161 0.14 289.2690430 0.02 291.3308716 0.03 296.1012573 0.03 302.1642456 1.19 303.0999756 0.56 305.1387939 0.09 306.1294556 0.33 307.3391724 0.05 314.3963623 0.01 320.1621704 100.00 321.1920166 29.41 334.3086548 0.04 339.2321167 0.09 347.4515381 0.06 362.3715210 0.05 365.3445435 0.01 376.4360962 0.02 405.0401001 0.01 417.2354126 0.02 423.2933350 0.04 424.8206177 0.06 427.3687744 0.03 452.4604492 0.08 467.1699829 0.07 468.8160400 0.11 469.4995728 0.04 471.4512329 0.03 477.4810791 0.07 479.8588257 0.09 481.3823242 0.02 482.4038696 0.02 483.5409546 0.02 494.4536743 0.12 495.3493652 0.08 514.8433838 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1039.2926 Annotation Unknow Peak:m/z Relative Intensity 327.2101746 0.06 405.5133057 0.15 582.1434326 0.27 601.1147461 0.39 629.3787231 0.11 643.1408691 0.55 659.2929077 0.32 670.9992065 0.22 684.9652100 0.39 701.4841919 0.75 708.4212646 0.29 726.8476562 0.11 775.2595215 0.29 790.6306152 0.13 793.2194824 0.54 817.3358154 0.29 835.2783203 14.79 841.5643311 0.16 875.0604248 0.15 875.9016113 0.22 877.3306885 100.00 897.2558594 0.05 919.4208984 0.90 936.5883789 0.79 937.4812012 0.49 942.4278564 0.17 973.3789062 0.26 974.0550537 0.16 979.1416016 5.31 979.7988281 0.19 995.4285889 0.06 996.8084717 0.17 997.5637207 0.45 1003.4091800 0.43 1009.7158200 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 539.1395 Annotation alpha-Sorinin Peak:m/z Relative Intensity 153.0873566 0.04 160.1231689 0.11 162.1677551 0.11 168.0625458 0.64 171.8934631 0.05 179.1513824 0.20 181.0729980 0.20 182.2748718 2.16 183.1142120 6.13 187.1286469 0.20 192.0396576 0.16 193.1694946 0.36 195.0848389 0.05 196.0447388 0.06 197.0941467 7.12 200.2300873 0.09 205.9384766 0.16 207.0696716 0.24 211.0380402 0.70 218.0535889 0.13 220.9744720 0.05 225.1083527 0.62 236.9849243 0.43 249.0668488 0.21 251.1492310 0.14 254.9718170 0.95 260.1055298 0.26 267.1531982 0.09 269.3023987 0.09 281.2710876 0.05 283.9973755 0.71 285.1019897 0.31 297.2041626 0.08 299.0970459 0.78 302.4478760 0.12 309.0869751 0.24 312.3135376 0.87 314.1333008 0.14 327.2338867 100.00 328.3086548 0.19 341.1275635 27.19 341.7515259 0.05 346.3237915 0.06 347.2908325 0.19 369.1244507 0.07 410.1743164 0.06 440.3131714 0.10 441.2387085 0.06 448.2802124 0.11 455.4644775 0.13 465.3635864 1.55 466.2355347 0.59 467.2526855 0.14 471.4775391 0.11 477.4196167 0.17 493.1276855 0.35 494.3777466 0.11 495.2362061 0.80 495.9795532 0.06 503.3451538 0.20 507.2129517 1.59 509.7011719 0.05 519.2877808 0.08 521.1595459 0.30 524.2970581 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1425.652 Annotation Unknow Peak:m/z Relative Intensity 426.9197083 0.10 442.2415466 0.23 471.4722290 1.48 483.9378662 0.05 485.1043701 0.98 503.2419434 0.26 525.4713135 0.05 577.3521729 0.12 593.5646973 0.09 594.2825928 0.10 615.5519409 0.23 616.4512329 0.17 617.4348145 0.06 629.3555908 1.53 630.1056519 0.03 633.5629883 3.29 634.4800415 0.65 675.5874023 0.16 698.7883301 0.23 699.6301880 0.29 701.7341309 0.06 713.4189453 0.27 729.3948975 0.30 731.0108643 0.03 741.5178833 2.00 759.4071045 0.15 760.3012695 0.18 777.4537354 25.16 778.5303955 2.80 795.5289917 100.00 796.5308838 8.18 809.4637451 0.40 819.3837891 1.69 820.9380493 0.16 835.5386963 0.05 837.5197144 8.00 838.4287109 0.98 859.5010986 0.31 865.4261475 0.09 874.5108643 0.06 877.4644165 0.40 878.6403809 0.04 879.5935059 0.12 880.4468384 0.10 937.7261963 0.17 938.6894531 0.08 940.6754150 0.05 957.0463867 0.58 957.6488037 5.29 958.6944580 0.95 971.6004639 0.05 981.9150391 0.07 999.4912109 6.87 1000.5051270 0.72 1041.1796880 0.10 1057.3948970 0.09 1079.7736820 0.06 1081.7254640 0.11 1101.3359380 0.13 1119.4628910 0.09 1120.3234860 0.08 1161.6816410 0.25 1250.5448000 0.24 1263.4221190 1.20 1264.4108890 0.51 1265.0150150 0.02 1281.4661870 29.05 1282.4537350 6.41 1283.2106930 0.10 1323.4633790 5.97 1324.5114750 1.50 1351.8985600 0.18 1360.6696780 0.05 1363.4519040 2.91 1364.7753910 0.57 1381.8482670 0.34 1389.4725340 0.20 1395.9881590 0.16 1403.7944340 0.37 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 613.32 Annotation Isogambogenin Peak:m/z Relative Intensity 178.0585327 0.15 181.0070190 0.03 183.2554779 0.20 184.4397278 0.11 185.1242371 1.82 192.1129456 0.03 194.9444885 0.35 197.4221344 0.08 209.2779236 0.02 211.1675110 0.03 213.0444946 0.05 222.0888977 0.25 227.1290131 1.00 234.1814728 0.91 236.0465240 0.10 240.3331604 0.03 251.2951355 1.26 252.2506104 0.03 256.2664795 0.15 259.0894165 0.42 263.3429565 0.33 264.2129822 0.03 265.3722229 0.30 266.2594299 0.47 267.3609009 0.04 269.2714539 3.74 271.3521729 0.07 278.9724731 0.06 281.1189880 1.93 282.2850342 0.22 283.5024414 0.21 284.2523804 1.34 289.3361511 0.10 299.2687378 8.32 306.2972412 0.32 307.4973755 0.20 310.2022095 0.06 322.4409180 0.04 323.2188110 0.03 327.4935303 0.08 330.1890869 0.37 331.4096680 0.03 336.4688721 0.03 340.4514771 0.16 341.2605591 0.65 344.9677734 0.05 351.5543213 0.06 355.4470215 0.11 356.4003906 0.33 361.3758545 0.02 363.3928223 0.04 365.0171509 0.12 371.2748413 6.07 371.8768311 0.09 375.1998901 0.84 380.2935181 0.15 383.4066772 0.28 395.3449097 0.20 397.3161011 0.03 405.0512695 2.15 407.7283936 0.09 408.4310303 0.15 409.4819336 0.06 422.3856812 2.39 427.3034058 100.00 428.0821533 0.16 429.3740845 0.12 431.6195068 0.05 434.2907715 1.03 439.3973999 0.19 449.2380371 0.09 451.2550659 0.19 452.4083862 5.52 457.3042603 0.07 477.6749268 0.04 481.5114746 0.03 490.0244141 0.05 491.2599487 0.05 496.7278442 0.11 506.8922729 0.19 509.4158325 0.08 511.3576050 0.25 512.2556763 0.05 516.7300415 0.05 524.2252808 0.07 525.3923950 0.14 526.4387207 0.73 527.2222900 0.04 537.0838013 0.51 539.1492310 0.06 541.2702026 0.04 542.0119019 0.07 550.4368896 0.03 551.2403564 0.24 563.4608765 0.27 565.3602295 0.05 567.0851440 0.40 568.3790894 0.11 569.3935547 0.25 575.0178833 0.03 577.2665405 0.15 579.4622803 0.10 581.4390869 1.42 583.3882446 31.86 584.4652710 0.30 595.3753052 12.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 429.2336 Annotation 6-bromo-tricosa-5E,9Z-dienoic acid Peak:m/z Relative Intensity 125.1419067 0.15 134.1165466 0.12 141.0086212 5.43 142.0818176 0.24 143.9459534 11.73 155.0479431 0.78 155.9808502 0.17 156.9750061 0.35 162.1084442 28.41 169.0163879 27.54 170.9587097 0.12 172.9561157 0.57 175.2373962 0.23 176.8310852 0.16 178.7406921 0.26 183.0681152 1.28 185.0074158 0.35 187.0856628 2.39 197.0258789 2.76 199.1516418 2.58 201.1233521 8.34 202.1354980 0.47 203.1899414 3.95 205.0957336 0.25 211.0433044 2.03 212.1595917 0.08 212.8875427 0.16 215.1997223 1.56 217.1282654 1.12 219.1154175 0.32 221.1171875 0.26 223.1658325 0.14 225.4150696 0.09 226.1036072 0.34 227.1457062 2.38 229.1333618 1.16 231.0716400 0.20 232.9894409 0.19 235.1047058 0.14 239.6117554 3.64 240.2441406 9.97 241.1341858 0.08 243.1172485 2.05 244.2106628 0.21 245.2702637 2.40 248.9576721 0.10 250.0536804 1.35 254.3887329 0.29 256.2455444 0.34 258.1200867 0.48 261.1666260 91.96 265.1518250 0.31 268.1827087 100.00 271.0741272 0.42 272.1804810 0.36 273.3852844 0.30 282.0970459 0.36 286.2174072 0.10 288.2810669 0.70 296.4573364 0.86 297.1411743 0.28 298.2209473 0.35 300.0853577 2.24 301.2174072 1.41 305.0983887 0.61 308.0708313 0.34 310.1484375 0.72 312.2045288 0.45 314.0033569 3.79 316.1682739 12.16 318.3054199 0.19 319.2727966 0.23 319.9585571 0.10 325.2566833 1.27 326.1644592 0.83 327.4093933 0.46 330.2023926 1.32 332.4782715 0.33 333.9388733 0.64 338.6199036 0.56 340.2568359 5.17 342.2630615 0.58 346.8433228 1.26 348.2433777 0.29 351.2113647 0.85 355.3708496 1.14 356.2127686 0.53 358.2844238 37.80 360.3883057 0.59 361.4292297 0.33 363.9100647 0.92 365.2383728 0.87 367.3350830 0.88 368.4501038 0.85 369.5697021 0.80 371.0286865 0.94 372.2325134 0.29 373.7224731 0.27 375.3044434 0.72 377.9411621 0.69 379.2098694 1.12 383.0706482 0.22 385.8530579 0.62 387.3309021 0.12 388.3338928 0.34 391.8236084 0.88 393.4177856 0.82 394.4340515 0.50 397.3286438 10.30 401.1155090 0.52 403.5000305 0.60 404.4396057 0.47 405.9519958 1.20 406.9964905 1.39 408.8650818 0.45 410.4094849 6.00 411.3319092 13.79 412.4966431 1.55 414.9115601 0.46 417.1371155 1.04 418.0180969 0.30 419.9654236 8.69 420.9070129 0.87 422.7888794 2.34 433.6941223 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1425.657 Annotation Unknow Peak:m/z Relative Intensity 467.3239136 0.54 471.4268799 0.15 485.0990295 0.01 499.2844543 0.08 568.6573486 0.03 579.6343994 0.01 615.5085449 0.08 633.5313721 0.31 634.6450195 0.01 647.8713379 0.04 777.5441895 0.65 778.4352417 0.06 795.4982300 3.46 796.5883179 0.32 837.0466309 0.04 895.3405762 0.05 939.6392822 0.37 940.4606934 0.08 955.3928223 0.08 957.5347900 100.00 958.5914307 10.57 997.6918945 0.02 999.5080566 1.40 1000.5670170 0.14 1027.2491460 0.03 1039.6861570 0.30 1040.5025630 0.03 1041.3145750 0.02 1057.5976560 0.10 1101.5678710 0.03 1102.8856200 0.08 1263.5725100 0.03 1281.3684080 0.21 1282.2694090 0.01 1283.1462400 0.03 1323.5781250 0.13 1363.3016360 0.09 1364.7172850 0.05 1404.1348880 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 765.44 Annotation 28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside Peak:m/z Relative Intensity 241.3645325 0.03 243.3031006 0.07 249.3161621 0.05 257.3076782 0.09 273.1055603 0.04 280.1304626 0.19 300.4524231 0.12 302.2056885 0.25 303.1356201 0.08 314.1398621 0.10 315.4083557 0.02 318.0637817 0.22 319.2282104 0.06 332.3260498 0.13 333.0258484 0.05 335.4789124 0.01 350.4605713 0.06 351.3179321 0.04 353.2583313 0.06 355.2098694 0.04 358.1970215 0.13 373.1207275 0.08 377.2507935 0.04 386.5127563 0.06 391.1668701 0.03 391.8804932 0.20 395.0895386 0.03 402.0370483 0.07 409.5581665 0.04 417.0609131 0.08 418.6395874 0.11 419.6990356 0.10 420.8876953 0.03 430.9400024 0.03 448.3507690 0.02 449.1514282 0.07 451.1625366 0.09 461.3059692 0.04 465.3441162 0.36 466.0945435 0.23 477.3483887 0.10 482.3475342 0.06 484.2243042 0.03 487.1887817 0.08 491.4476929 1.27 492.4154053 0.23 493.2180176 0.11 501.4409180 0.18 502.5718994 0.10 503.3502197 0.10 505.9515381 0.11 512.4859619 0.08 517.6193237 0.03 521.3980103 0.02 525.7194824 0.09 526.5376587 0.05 530.3552246 0.27 531.7244873 0.10 532.9530029 0.09 535.4885254 0.05 541.3453979 0.02 543.4187012 0.07 545.4865112 0.04 550.9804077 0.06 553.0200806 0.02 556.4168091 0.07 559.1159058 0.07 560.2672119 0.05 561.2315063 0.03 561.9616089 0.04 562.5647583 0.02 573.5418701 0.07 575.5401001 0.06 577.3537598 0.61 578.2575073 0.20 579.2236938 0.03 580.3322144 0.13 581.2449341 0.29 582.0399780 0.26 585.4064331 0.14 586.2763062 0.19 588.7044678 0.35 590.7606812 0.18 591.5398560 0.03 593.2496338 0.10 599.3218384 0.15 604.4891357 0.31 606.3627319 0.71 607.0389404 0.28 608.2067871 0.15 614.0509033 2.47 614.9187012 0.34 616.1709595 0.24 629.1394043 0.07 630.0276489 0.24 631.3517456 0.18 632.4320679 0.12 634.4274902 0.29 635.5547485 0.08 638.5631714 1.38 639.3617554 0.11 640.7311401 0.30 641.7346802 0.04 643.5171509 0.02 645.2738647 0.04 646.6036987 0.15 647.4618530 0.11 649.5950317 0.92 650.4436646 0.24 653.0352173 0.10 653.6370850 0.05 655.4295044 0.69 656.2606812 1.14 657.1953735 0.79 658.4579468 0.13 661.7020874 1.06 663.1239624 4.10 664.0855103 6.03 664.9464722 0.14 665.8547363 0.21 670.2863770 16.94 670.9875488 12.55 671.8915405 0.12 672.7603149 0.05 674.5285034 0.14 675.3453369 0.55 676.4070435 0.75 677.3027344 0.02 678.9114380 0.03 683.2165527 0.10 685.6439819 0.12 688.0578613 0.03 689.2959595 0.02 691.2662964 0.14 692.2968140 0.06 693.1909180 0.23 694.3742065 0.19 695.4533691 0.16 696.4000244 0.17 697.5661621 1.28 698.7847290 0.24 701.3327026 0.09 702.2586670 0.45 703.1357422 0.04 705.2561646 1.13 706.2248535 6.25 707.0304565 0.91 707.6712646 0.27 709.2822266 0.35 711.1268921 5.79 711.9786987 1.92 713.0238647 0.28 714.0264282 0.02 716.4102173 0.12 717.7262573 0.12 720.0856934 100.00 721.0351562 12.02 722.1277466 1.41 722.8976440 0.14 723.6608276 0.53 725.1730347 0.42 726.0292358 0.19 726.8323975 0.12 727.9769897 0.33 728.5842896 0.09 732.0602417 0.18 733.2356567 0.74 734.3948364 0.56 735.8868408 0.73 736.7000122 0.02 737.5249634 0.30 739.8115845 0.27 740.4188843 0.03 741.7203979 0.05 742.3465576 0.12 744.5817871 0.03 745.2219849 0.09 746.7139282 0.50 747.5033569 0.28 748.3408813 0.58 749.1469116 0.27 755.6610107 0.37 757.6706543 0.13 758.8971558 0.11 772.5468750 0.04 776.1366577 0.30 778.5841675 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 329.0875 Annotation Phaseoloidin Peak:m/z Relative Intensity 100.9335403 0.23 107.8678131 0.78 111.1747284 0.04 112.8944321 0.19 119.0228729 0.04 121.0698242 0.03 123.0201263 1.51 126.9799805 0.07 128.9363098 0.10 130.1086884 0.06 149.1520081 0.19 152.0074158 3.06 161.0341492 0.36 167.0076141 100.00 168.0493469 0.05 169.2144928 0.03 177.2337952 0.12 178.7818756 0.20 180.1803436 0.08 181.1656799 0.02 182.9289246 0.19 193.1333008 0.10 198.1487885 0.14 208.0410461 0.03 209.0473633 0.35 211.1009521 0.23 213.0614319 0.07 215.0924683 0.04 231.0737000 0.06 233.0147095 0.07 235.0885315 0.05 236.0790710 0.05 239.1673889 0.05 240.3279419 0.23 240.9738159 0.14 251.2165222 0.11 255.2357788 0.10 257.1855469 0.04 267.1912231 0.20 269.2381897 0.17 281.2266541 0.05 283.1975098 0.96 284.2581787 2.53 285.0863953 0.42 286.2451782 0.05 287.1956177 0.25 291.1553955 0.05 293.2149048 1.12 299.3659058 0.16 301.0999451 0.07 309.3950806 0.10 310.7091675 0.26 311.4923096 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 603.1858 Annotation Unknow Peak:m/z Relative Intensity 171.2734833 0.10 177.0921631 0.25 179.0822144 0.04 179.8760376 0.05 191.1203003 0.01 195.0453186 0.03 196.1131897 0.02 197.1004486 0.15 211.0663757 0.02 215.0452271 1.14 216.2376251 0.11 223.2408447 0.02 225.1537170 3.34 226.1556091 0.31 229.2649231 0.04 231.0573273 1.27 232.0836639 0.19 234.1816711 0.23 245.2357941 0.04 249.1664429 2.52 250.1302490 0.24 260.4261169 0.03 261.2485962 0.06 263.2922974 0.03 264.1426392 0.02 267.2180481 0.20 270.3300171 0.04 273.2922974 0.04 276.4026794 0.03 282.3043213 0.05 291.2193909 0.04 303.1868286 0.02 306.3275146 0.11 308.3849487 0.08 309.1530762 0.03 312.0579224 4.16 313.1482849 1.27 340.1359253 0.05 341.3923950 0.02 354.3075562 0.14 355.0426025 0.22 364.1972046 0.04 365.2541504 0.05 373.1628418 0.17 373.8359375 0.09 374.6448975 0.03 379.2861328 0.17 387.1732178 3.33 388.2058716 0.99 393.3249512 0.11 394.4432373 0.02 405.1969604 0.03 409.2048340 0.09 411.1977539 0.53 416.5440063 0.11 423.0983276 0.22 424.1215820 0.16 424.8009644 0.01 430.3298950 0.10 441.2012329 1.99 442.2091064 0.24 455.4033203 0.08 456.3983765 0.20 458.1417236 0.03 474.1842651 100.00 475.2071533 21.80 482.4754028 0.04 493.4880981 0.02 507.6650391 0.09 512.7378540 0.02 513.3536987 0.06 516.4795532 0.04 528.1939087 0.03 537.4259644 0.03 541.2742920 0.07 542.1859741 0.04 556.4741821 0.05 558.1312866 0.25 566.1069336 0.09 567.1118774 1.33 568.1586304 0.58 568.8684082 0.01 571.2114258 0.80 572.1809082 0.37 573.4082642 0.50 574.3846436 0.08 585.2118530 23.97 586.1823120 10.05 594.8558350 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 716.3963 Annotation Reveromycin D Peak:m/z Relative Intensity 211.0049438 1.80 213.1911621 0.25 214.2891388 0.19 216.1997070 0.13 226.3672180 0.08 229.1268311 0.35 233.1573334 0.56 243.3874359 0.14 249.0211182 0.20 258.2505188 0.30 259.4427185 0.07 262.9980469 0.08 267.1224365 0.22 272.2854004 0.08 278.4270630 0.30 284.3299561 0.31 285.0869141 0.16 289.2954102 0.23 294.2912292 0.05 298.4735718 0.77 299.3317261 0.56 301.4449158 0.24 308.1373291 0.40 316.2114868 17.52 317.4113770 1.09 318.2449951 0.98 319.3740234 0.84 325.2510376 0.54 327.6868896 0.25 332.0070801 0.20 339.4359131 0.49 340.1821289 0.23 340.8464966 0.07 343.4005127 0.13 344.4039917 0.32 345.5515137 0.07 348.2724609 0.06 352.2152710 0.08 365.3789673 0.20 369.1509399 0.39 371.1235962 0.23 372.3964844 0.09 377.4412231 0.23 379.1131592 0.25 382.5996094 0.21 395.7437744 0.29 396.4436646 0.12 399.2026367 0.22 401.3634644 0.28 403.2968140 0.09 411.6721191 0.05 414.2905273 0.09 415.3966064 2.28 416.1370239 0.42 422.1536865 0.28 424.5184326 0.45 428.2951050 0.16 432.0225830 0.22 435.3269653 0.09 436.2899170 0.19 441.1942139 0.26 442.2715454 0.14 445.7136841 0.17 451.1512451 0.13 454.0006104 0.35 455.3571167 0.07 458.3225098 0.06 460.1871948 0.24 467.3054199 0.25 469.4526367 1.08 472.2885742 0.10 473.3599854 0.08 474.5009766 0.29 480.4136353 0.24 481.0154419 0.11 482.3807983 0.57 483.0808105 0.33 483.9857178 0.08 485.3127441 0.10 486.3125000 0.64 487.0372925 0.50 490.2249756 0.21 491.9973755 0.29 493.8746948 0.07 496.6836548 0.07 499.7259521 0.49 502.5151978 0.08 507.0754395 0.43 509.3913574 1.01 510.3591309 0.07 511.6465454 0.18 512.8992920 0.10 514.2860107 1.06 520.3472290 0.32 524.0145874 0.10 525.5426025 0.93 529.2229614 0.13 530.1468506 0.28 532.3190308 0.13 535.9127808 1.14 539.2576294 0.86 541.0869141 0.47 543.8915405 0.94 544.8579712 0.09 545.5927124 1.00 547.5061035 0.36 548.7311401 2.93 550.4268188 1.93 551.2877808 0.17 553.1155396 0.21 554.1948853 0.60 556.6246338 0.16 558.8881836 3.31 559.7390137 0.64 564.6488647 0.25 567.2377930 0.59 568.0427856 0.65 569.3088379 0.50 570.5070190 0.15 571.7379761 0.44 575.3125610 0.43 576.1347046 0.13 577.9733276 14.84 579.6756592 0.51 580.4666748 0.66 581.3296509 0.11 582.6371460 1.37 583.5009766 2.14 584.4685059 0.99 585.2047729 0.09 586.5962524 1.02 587.8751831 0.84 589.2823486 1.19 591.2048950 0.18 592.5532227 1.90 593.4664917 0.50 595.0806885 5.44 596.2219849 1.49 597.5100708 0.29 598.2199097 0.05 599.0930786 0.40 600.3720703 0.06 601.4758911 1.25 603.0917358 0.19 604.3887939 0.28 605.0671997 0.05 606.0663452 0.45 607.3239746 3.15 607.9894409 2.97 609.1658325 0.43 610.2531128 0.32 611.4319458 0.45 612.2382202 0.28 613.3630981 0.08 614.4874268 0.37 615.6976318 0.91 616.9260864 0.84 620.6851196 1.39 621.4933472 0.18 623.5870972 0.23 624.6397705 0.43 625.6931152 0.24 626.3827515 0.17 627.3914795 0.24 630.0714722 3.33 631.2069702 0.72 632.1378784 0.56 632.9514160 0.22 634.6187134 0.37 635.6156616 0.73 636.3264771 0.73 640.5524292 0.22 641.5483398 0.10 642.8063965 0.47 643.8366089 1.01 644.5387573 1.54 645.2501831 1.13 646.1697388 0.54 646.9003296 0.29 648.0449829 0.91 648.8159180 0.54 650.2470703 3.83 651.0920410 0.73 655.1054077 2.49 656.8872070 0.27 657.6834106 0.62 658.7785034 1.19 659.5346680 6.78 660.4223633 2.25 661.4147339 0.96 662.3757935 0.74 663.8760986 35.11 664.5610352 5.62 665.3588257 3.66 666.1094360 2.57 667.3394165 1.11 668.4332275 0.84 670.9608765 1.17 674.4566650 0.33 677.0711060 0.15 678.0761719 0.57 679.5697632 3.64 680.2340088 1.05 680.9076538 0.54 682.5796509 0.41 684.1184692 6.61 684.9127808 0.06 685.8679199 0.35 687.5866089 0.36 688.2780762 0.30 689.9512329 1.70 690.5709229 0.99 693.7920532 1.78 694.4225464 1.89 697.5769043 2.06 698.7180176 1.69 699.7739258 1.52 700.7909546 2.23 701.4309082 0.09 702.3651733 0.88 703.3029175 2.14 704.0258179 0.78 704.9531860 1.58 705.5537109 0.20 706.2750854 1.10 707.2778320 3.13 707.9597778 0.39 708.8981323 0.67 721.4026489 0.28 723.8914185 0.34 726.2604370 0.07 730.6848755 0.25 731.5335083 0.31 734.7103882 0.11 740.5527344 0.17 743.4959106 0.25 745.4722290 1.09 749.6015015 0.30 752.0245972 0.85 753.1600952 0.83 756.5423584 0.64 758.1329956 1.63 760.7749023 1.26 761.9284668 0.48 762.9074707 0.20 763.6138306 0.54 766.2129517 3.52 767.2874146 1.81 769.2415161 0.19 772.4277344 2.03 773.4808960 12.30 774.6954956 2.12 775.6263428 0.35 780.6964722 1.13 781.4428101 0.38 784.0990601 0.63 786.3062134 1.22 787.8088989 1.30 790.2010498 0.55 793.2915649 0.41 794.1610718 0.91 795.8602905 1.32 799.4273071 1.58 801.8706665 2.15 802.6876221 0.70 804.9811401 1.72 805.7453003 1.31 808.9540405 0.85 811.5514526 0.11 813.3408813 0.07 814.4990845 0.18 815.9909058 0.34 816.9873657 1.05 817.6443481 0.31 818.2608643 0.13 819.2224731 0.23 823.1331177 0.09 824.2575073 0.94 826.7901001 0.56 828.0643921 1.11 828.8241577 0.49 830.0285645 0.17 831.4202271 0.49 833.1807251 0.05 834.7046509 0.59 836.0123291 1.27 836.8798218 2.67 837.5049438 0.04 839.2957764 3.61 839.9357910 0.22 840.9185791 0.91 841.6350098 0.09 842.5553589 0.17 843.6403198 0.11 844.6520386 0.58 846.2879028 0.86 850.9067993 0.31 851.6630249 0.72 852.7670288 0.58 854.6953735 0.15 855.9041138 1.69 857.0416870 0.35 858.6466675 0.42 860.6140747 0.60 862.3529663 0.30 863.4494629 0.16 864.9884644 0.82 865.6010742 0.18 866.8005371 0.05 868.3391724 0.84 869.1853638 0.49 871.0859375 1.75 874.5783691 1.10 875.5382690 0.63 876.1412964 0.27 876.9442749 0.14 878.3933716 0.59 879.3413086 1.27 882.0065918 2.03 883.0908813 2.29 883.9968262 2.22 885.8189087 0.05 886.8569336 1.97 887.6613159 1.35 888.9482422 0.76 891.5154419 0.38 894.0022583 0.25 894.6743774 0.28 895.3527832 0.30 899.0270996 0.58 900.4052124 1.36 901.6392212 0.51 902.6887207 0.03 905.5195312 1.43 906.2523804 0.65 907.8662109 1.21 908.6567993 0.43 909.2902832 0.15 910.3500977 0.07 911.0658569 0.15 911.9252930 0.31 914.7039185 0.69 915.6708374 0.18 919.7575684 1.23 920.3594360 0.92 921.0932007 0.50 921.9196167 0.48 922.7390137 0.57 925.4932251 0.11 927.6000977 0.28 928.6215820 0.37 930.2468872 0.30 932.2448120 0.35 933.7507324 0.08 936.4823608 0.24 940.5456543 0.10 942.4956665 1.57 944.3762207 0.96 945.1963501 0.81 949.6460571 0.52 951.0693359 0.23 952.0025024 0.37 955.5579224 0.41 956.9345703 0.21 958.6276245 0.37 959.7805786 0.33 961.1713867 0.98 963.9035645 0.40 966.5554199 1.42 967.7504883 0.25 969.6372070 0.08 970.6145020 0.13 979.8229370 1.56 980.5036621 0.55 982.1355591 0.95 983.2294922 0.84 983.8366699 0.43 984.7001343 0.20 985.9981079 0.23 987.0410767 0.13 990.6755371 0.12 991.5295410 0.58 997.4794312 0.14 1000.1415410 0.53 1001.1775510 0.57 1001.8354490 0.46 1008.6403810 0.23 1009.7385250 0.17 1010.6603390 1.01 1012.3613280 0.62 1013.9763790 0.87 1014.7729490 0.27 1017.5551150 6.52 1018.6476440 1.09 1025.3186040 0.44 1036.3171390 0.25 1043.8432620 0.32 1045.0107420 0.05 1047.8348390 0.08 1049.4062500 1.16 1050.1965330 0.60 1053.8112790 0.49 1056.7922360 0.15 1061.7041020 0.05 1069.4748540 0.11 1070.8232420 0.71 1071.4631350 0.16 1077.8691410 0.09 1084.9011230 0.28 1086.8698730 0.16 1088.6516110 0.14 1089.6918950 0.56 1095.3485110 0.39 1096.8044430 0.25 1098.3585210 0.11 1099.7863770 0.44 1100.7314450 0.31 1102.1037600 0.15 1104.5998540 0.21 1108.5717770 0.36 1114.6318360 0.73 1116.6116940 100.00 1117.6575930 22.80 1118.3852540 0.37 1142.4417720 0.26 1154.7298580 1.46 1155.5793460 0.68 1156.4211430 0.25 1159.7922360 0.08 1170.5944820 0.24 1172.5566410 0.19 1178.5778810 0.09 1184.7680660 1.11 1186.8155520 0.13 1192.5709230 0.49 1198.0841060 0.51 1198.8461910 0.33 1211.0601810 0.32 1242.4448240 0.61 1246.4619140 0.25 1260.8010250 0.10 1286.0983890 0.32 1291.6735840 0.28 1327.7154540 0.07 1332.5252690 0.50 1371.6727290 0.41 1406.8223880 0.20 1427.5903320 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 205.1 Annotation Tryptophan Peak:m/z Relative Intensity 66.99980164 0.01 68.61454773 0.03 72.71453857 0.04 82.99164581 0.02 83.83230591 0.02 84.87103271 0.02 86.86128235 0.02 94.83171082 0.02 96.02578735 0.03 97.01260376 0.16 98.98123169 0.04 104.9042664 0.03 109.0158081 0.09 110.1517487 0.01 110.9174652 0.02 113.9126892 0.07 114.9828796 0.12 115.7510376 0.02 118.0956573 0.01 119.0304413 0.04 121.2523041 0.02 123.3111115 0.00 125.943985 0.07 126.8934937 0.30 127.8748627 0.06 128.8710022 0.01 129.7986145 0.03 132.1548309 0.07 132.9209747 0.01 134.9888458 0.03 136.9815826 0.01 138.8511047 0.42 141.1706085 0.03 141.9570465 0.02 143.0478516 0.00 143.8483887 0.08 145.0807037 0.59 149.1798553 0.06 150.8845825 0.15 155.8969879 0.01 157.0168762 0.08 159.0466766 0.29 161.1340485 0.01 163.2109528 0.06 168.351593 0.06 169.0561371 0.23 173.092514 0.01 175.0405884 0.02 177.0977325 0.27 182.9884033 0.05 188.0675812 100.00 188.8120575 0.01 190.5669556 0.05 196.2046814 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 309.0461 Annotation Unknow Peak:m/z Relative Intensity 96.0933838 0.04 114.9721985 6.62 128.1862030 0.06 129.2508850 0.10 132.9360657 100.00 142.9286957 0.04 161.0752258 0.02 162.0403137 0.03 163.0028687 0.03 174.9941864 14.44 179.0989838 0.12 180.0326538 0.06 203.0778351 0.04 211.2349854 0.05 248.1554260 0.03 249.2737427 0.08 253.5819702 0.17 254.1890869 0.27 255.2149963 0.07 257.2554016 0.02 263.3761597 0.08 264.1127014 0.09 265.2136230 0.03 272.1035767 0.50 273.2853699 0.09 274.3851013 0.28 275.1858521 0.03 290.0047302 0.60 291.0902710 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 437.2025 Annotation Ebracteatoside D Peak:m/z Relative Intensity 159.0160828 0.10 163.2884521 0.08 173.1249390 0.03 178.9823303 0.27 199.1886749 0.12 211.3491364 0.09 217.1932068 0.03 253.1168518 0.27 257.3194275 0.27 269.2029114 0.13 272.2125854 0.10 275.3462830 0.04 286.8394775 0.06 305.2742615 0.03 319.1463623 0.06 321.0684204 0.17 324.0990295 0.08 327.0824890 0.04 330.9569702 0.18 339.2483826 0.03 340.1772156 0.08 341.2367554 0.14 345.2175903 100.00 347.1756897 0.06 349.1398315 0.14 365.1879883 0.06 371.4293518 0.26 377.0173645 0.05 379.1799011 0.15 381.3988342 0.08 391.1398315 1.35 393.4237366 0.54 401.3348694 0.14 402.4508057 0.03 418.3916321 0.15 419.3343811 0.17 421.1552429 0.06 422.3688965 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 377.0853 Annotation Lactulose Peak:m/z Relative Intensity 179.0731812 0.86 191.0301208 0.06 196.7828522 0.20 215.0704803 10.43 221.2103577 0.04 242.9425964 0.15 248.9929504 0.06 304.7956543 0.16 333.0639343 0.24 341.2124634 100.00 345.4007568 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 909.9557 Annotation Unknow Peak:m/z Relative Intensity 254.8351135 0.58 266.3986206 0.18 268.3057251 0.16 269.2962036 0.05 272.2019043 6.35 273.2592163 0.35 274.2920532 0.17 280.2717285 0.09 281.0828552 0.25 283.1290283 0.08 289.6183472 0.05 296.2427063 0.13 307.1546021 0.15 309.4157715 0.31 311.0498657 0.23 323.1330566 1.76 323.9759521 0.38 325.1230164 0.18 325.9197998 0.29 333.2656555 0.15 337.0742798 0.69 341.2694092 0.07 343.1319885 1.82 344.2995605 0.57 347.1981201 0.14 351.0888367 2.31 352.3070068 0.28 353.3297119 0.16 358.3058167 0.04 365.3692322 1.13 366.3977051 0.85 367.5969849 0.06 369.2028809 0.54 370.4769897 0.24 377.2982788 0.24 379.0660706 0.11 394.0788574 0.08 395.4947815 0.50 396.2470703 0.04 397.3294983 0.97 398.2575684 0.07 408.3925781 0.12 409.3493042 0.14 412.2519531 0.34 420.0904541 0.24 421.3682861 0.39 422.3235474 0.93 423.3192749 0.26 426.4231567 0.06 434.1884766 0.09 436.4214478 0.51 438.7669067 0.08 440.3236694 7.38 441.3695068 1.27 448.3583374 0.25 450.3654175 0.23 452.3615112 0.12 454.0537109 0.17 455.2852783 0.33 458.4360962 0.11 464.2866211 1.34 465.4024658 0.57 466.5490112 0.54 467.4627686 0.52 468.4230347 0.81 469.3981934 0.17 470.3577881 0.12 472.2490845 0.27 477.2633057 0.14 478.3261719 0.11 479.8580322 0.46 481.3911133 0.41 484.4507446 0.12 494.3106689 0.38 496.7354736 0.14 500.2346802 0.23 504.0651245 0.10 507.1913452 0.13 511.2681885 0.57 519.6516724 0.52 520.4777832 0.05 521.4552612 0.09 533.0257568 0.19 535.4781494 0.33 537.2370605 0.22 539.1980591 0.14 541.4265137 0.14 547.2038574 1.20 548.1900635 0.30 549.4544678 0.29 551.2246094 0.11 552.4200439 0.14 554.3291626 0.81 555.4810181 2.67 556.3699341 0.92 557.6927490 0.52 565.4658813 0.97 566.4512329 0.11 567.4396973 0.75 568.5059204 0.25 569.5068359 0.96 572.5928345 0.05 575.0737915 0.55 583.3496704 0.07 586.5174561 0.34 590.1881104 0.57 593.3482056 2.40 594.2872925 0.72 595.5197144 0.14 600.5005493 0.24 601.5377197 0.40 603.7894897 0.64 604.5531616 0.14 606.7272339 0.25 607.7290649 0.37 608.4983521 0.10 609.3374634 0.10 612.4454956 0.25 613.3579712 0.28 614.3052368 0.15 618.3599854 2.33 619.5245361 0.27 623.5758057 0.67 624.8248291 0.34 625.4963989 0.14 627.2879028 0.19 629.2835693 0.17 636.4055786 12.27 637.4226074 5.05 638.3800049 0.30 639.2725220 0.91 640.5482788 0.12 646.3477173 1.09 647.5392456 0.13 650.6654053 0.19 652.1932983 0.91 653.4138184 0.14 664.3438110 0.99 665.6179810 0.62 666.3613892 0.20 674.2785034 0.50 675.5291138 0.33 677.2894897 0.11 679.3388062 0.31 681.3994751 0.36 684.3803101 0.83 685.6458740 0.94 687.4148560 0.48 688.2809448 1.72 690.4498901 5.74 691.1796265 7.07 694.6860352 0.20 696.3272095 0.87 697.5516968 0.12 698.5648804 0.12 699.2116089 0.07 701.2100220 0.28 704.4421997 0.29 707.2851562 0.73 708.8184204 0.52 709.7556763 1.03 713.9222412 0.53 714.9376831 0.23 717.5819702 0.15 718.4465942 0.45 721.2051392 0.40 722.3260498 3.58 723.2308960 7.52 724.0678101 0.63 724.7857056 0.16 725.7185059 0.45 727.1146851 0.22 730.3007812 1.09 733.6883545 0.34 735.3964844 10.65 736.4071045 2.81 737.1414185 0.89 739.1250610 1.14 739.8917847 1.22 742.4346313 0.19 744.8209229 0.34 747.8275146 0.29 748.4949341 0.31 750.5570679 0.22 752.0321045 0.13 754.1013794 0.55 755.7056885 0.83 756.7025757 0.23 758.6878052 3.31 760.0064087 0.81 763.4375000 0.43 764.5807495 0.07 765.4263916 2.01 766.1265869 1.74 767.2506104 0.18 769.4937134 0.05 771.3748169 0.09 774.6819458 100.00 775.4974365 16.45 776.3033447 0.69 777.7096558 0.50 778.8828735 0.10 779.6749878 0.08 780.4070435 0.06 781.2487183 0.32 785.1533203 0.39 792.9287109 0.32 793.7247314 1.60 794.3912964 0.57 795.6368408 0.40 796.9182739 0.19 798.6315918 0.17 799.6781616 0.17 800.9255981 0.74 801.5650635 1.12 807.4003296 0.12 808.5731201 0.43 810.2708740 50.46 811.0716553 8.12 811.8402710 0.09 812.6284790 0.15 814.0282593 3.47 814.9267578 0.11 815.5888672 0.30 819.4205933 0.05 820.6851196 0.22 822.9286499 4.33 823.5416870 2.35 824.3884888 1.18 826.3953247 20.25 827.5109253 9.54 828.4227905 1.14 829.9062500 0.05 832.8594971 0.28 834.4295654 0.08 835.6477051 0.17 836.5383911 0.63 838.7766724 0.29 841.0095825 0.85 841.6917725 0.20 844.6036377 1.16 845.6223755 1.18 846.6235962 0.32 848.7287598 0.11 849.8836670 4.08 850.5569458 0.64 852.6772461 0.47 853.5305786 0.25 854.4183960 0.33 858.7318726 29.07 859.5905151 4.42 860.4570923 0.91 861.5942993 0.05 864.4784546 9.46 865.4491577 5.23 866.6502075 0.38 868.5894775 0.08 874.5249634 1.23 875.5842896 0.38 876.6425171 0.48 877.7030640 0.26 879.8234253 0.27 880.8075562 0.15 884.7098999 0.35 885.6073608 0.63 886.3870239 0.30 887.3599243 0.20 890.7629395 0.36 892.1822510 1.13 893.7490845 3.21 894.4355469 2.80 895.3231812 1.08 896.0211792 0.57 901.1455078 2.58 902.3372192 0.25 910.7518921 0.22 923.7412109 0.71 924.3561401 1.49 931.8125610 0.08 937.5993652 0.64 938.5358887 1.02 947.7329102 0.33 955.4939575 10.26 956.5073853 5.94 957.5876465 0.99 961.6591797 0.34 962.3157349 0.14 963.6632690 0.24 965.6615601 0.45 966.4249878 0.59 967.6307983 0.10 975.0961914 0.24 975.7890625 1.06 976.9821777 0.55 977.6260376 0.15 981.4174194 1.76 982.4700317 0.47 984.4879761 0.22 988.6113281 0.35 993.4517212 6.93 994.5234985 5.74 995.4824829 2.49 996.5786133 0.54 1001.4425660 0.24 1002.9779660 0.07 1009.3417970 0.22 1014.3364870 0.11 1019.0957640 0.40 1023.8598020 0.15 1032.4211430 0.24 1033.6981200 0.20 1034.4635010 0.11 1035.7612300 0.19 1037.6479490 1.06 1038.4860840 0.12 1042.9216310 0.34 1045.6744380 0.31 1052.5240480 0.19 1053.5922850 0.84 1055.0520020 0.29 1058.7976070 0.36 1062.8403320 0.15 1064.6149900 0.09 1066.5539550 1.29 1067.4224850 1.43 1068.5507810 0.36 1076.4216310 0.25 1080.1278080 0.65 1081.0200200 0.66 1081.6578370 1.08 1082.9038090 0.10 1084.5435790 16.39 1085.6093750 11.96 1086.5549320 2.39 1087.4251710 0.16 1090.7861330 0.64 1091.8283690 0.44 1092.9694820 0.63 1094.6994630 0.28 1098.6931150 0.20 1108.5690920 3.30 1109.4152830 0.70 1110.0205080 0.39 1110.9277340 0.23 1113.6250000 0.64 1120.6884770 0.13 1131.2980960 0.12 1138.5008540 0.05 1140.3342290 0.18 1147.5582280 0.28 1148.4315190 0.20 1151.8840330 0.54 1152.7369380 0.08 1161.6260990 1.03 1163.8347170 0.28 1165.5977780 0.13 1166.3483890 0.21 1167.6857910 0.16 1176.2880860 0.10 1177.7048340 0.48 1179.9364010 0.46 1181.6140140 0.14 1182.9799800 0.92 1183.6096190 12.92 1184.6148680 14.78 1185.6596680 4.40 1205.7647710 1.02 1206.6456300 0.67 1207.7889400 0.68 1218.7155760 0.31 1219.5938720 0.21 1223.9492190 0.07 1233.1313480 0.35 1234.4306640 0.14 1236.6472170 0.34 1250.0224610 0.36 1253.5345460 0.18 1258.6928710 0.14 1259.6704100 0.58 1276.6934810 6.15 1277.6914060 5.99 1278.6005860 0.75 1281.0810550 0.20 1282.5245360 0.91 1283.7446290 0.71 1284.7623290 0.23 1292.9200440 0.19 1320.5069580 0.11 1329.5853270 1.30 1330.7197270 0.76 1331.9993900 0.14 1341.7020260 0.13 1347.4952390 1.92 1348.6331790 1.34 1349.7547610 1.00 1358.3746340 0.35 1364.1180420 0.08 1365.2850340 0.17 1369.7143550 0.12 1374.4818120 0.09 1379.6624760 29.95 1380.6641850 20.18 1381.7008060 8.62 1391.5877690 0.06 1444.7474370 0.34 1445.6483150 0.34 1450.7175290 0.80 1451.8570560 0.54 1452.6871340 0.14 1459.2922360 0.47 1460.0032960 0.13 1476.7166750 6.33 1477.6348880 6.71 1478.7119140 2.09 1491.4676510 0.08 1512.8505860 0.12 1519.6275630 0.42 1529.8574220 0.45 1530.9234620 2.13 1531.7012940 0.34 1547.7043460 46.73 1548.7923580 44.04 1549.8778080 14.28 1619.1873780 0.08 1620.0740970 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 441.1336 Annotation Bequinostatin D Peak:m/z Relative Intensity 127.9802933 12.39 153.0191650 1.28 167.0271606 0.15 171.0048218 1.97 179.0715637 0.43 196.9734039 0.47 213.0294647 0.56 215.1090851 1.58 230.9784088 7.01 249.0611572 100.00 263.1985779 0.09 311.7862549 0.86 312.4130554 0.20 422.2130432 0.16 423.0880432 0.73 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 684.0782 Annotation Unknow Peak:m/z Relative Intensity 262.1315918 0.02 337.0754395 0.11 344.2482910 0.02 378.1132812 0.08 421.3577881 0.08 424.1616211 0.03 428.3695679 0.03 429.9152222 0.06 453.4321289 0.03 469.2201538 0.03 505.0305786 0.11 508.6473999 0.07 512.4911499 0.03 516.2205811 14.63 516.8403320 0.06 525.8724976 0.09 538.4024658 0.07 554.3173218 6.94 575.9918823 0.02 591.8952637 0.32 592.4973755 0.02 593.9946289 0.04 600.0476074 100.00 600.6920776 0.28 619.9841309 0.03 636.6607666 0.29 638.0106201 70.10 638.6768188 0.17 647.3710327 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 622.3051 Annotation Unknow Peak:m/z Relative Intensity 174.7026672 0.07 181.1592407 0.06 184.0545654 0.03 191.2649689 0.09 193.3471985 0.07 207.1470795 0.48 212.9464111 0.07 215.4004822 0.03 253.9665222 0.31 261.1976929 0.68 268.1337585 1.06 269.5003662 0.03 272.1438293 0.43 276.9285889 0.11 280.1058350 0.13 284.2578125 0.03 286.0454712 0.03 288.0622253 0.26 298.1652222 0.25 330.2822266 0.19 338.0731201 0.32 339.0624390 0.08 340.1721802 0.04 345.0348511 0.05 347.8949585 0.13 353.4498291 0.06 360.1910400 0.10 363.0073853 0.08 365.4951782 0.19 367.5209961 0.08 369.1228027 0.08 372.3352051 0.10 376.3158569 0.11 383.0730591 0.12 387.5598755 0.06 388.8612671 0.09 390.3366699 0.05 397.5614624 0.19 400.3810425 0.12 401.2207642 1.73 402.3161621 0.08 411.5108643 0.21 415.4849243 0.02 418.2720337 0.07 424.2299194 0.10 426.2917480 0.10 429.2684326 52.95 430.2814941 1.24 432.8645630 0.08 442.1105347 0.18 447.3179932 0.17 448.2841187 0.10 453.3073120 0.22 454.3877563 1.23 458.2050171 0.12 460.3834839 0.50 461.3209229 0.13 467.3613892 0.28 469.8833618 0.04 471.4970093 0.12 477.7609253 0.18 479.3591919 0.65 480.3656006 0.31 481.5492554 0.27 485.2667847 0.28 492.2056885 0.10 498.0050659 0.14 500.1326294 3.79 500.9352417 0.41 501.6183472 0.11 502.7538452 0.64 503.3764038 0.55 513.4767456 0.07 516.5900269 0.26 517.3059692 0.15 522.3186035 0.17 523.6738892 0.22 528.2954102 6.09 529.2218018 0.19 531.3491821 0.21 531.9675293 0.07 532.6759033 0.24 533.2985229 0.05 539.8513184 0.40 540.8294678 0.22 541.7514038 7.58 542.5635376 0.39 543.3375854 0.21 545.9969482 0.18 547.1315918 0.13 548.8316040 0.28 550.3258667 0.10 556.5546875 0.76 558.8088989 0.67 566.1076050 0.30 569.4574585 0.27 575.7922974 0.65 576.5145264 0.22 577.7213135 0.07 581.6154175 0.17 582.7619019 0.75 583.8370361 0.10 584.7720337 0.68 586.3945312 1.17 592.4609985 0.10 594.4929810 0.12 597.3546753 0.51 602.0458374 0.22 604.3324585 3.74 605.2120972 0.17 606.8255615 0.83 607.6838989 0.03 611.3872681 0.39 612.1941528 0.12 613.1376343 0.45 614.0575562 0.60 615.5908813 0.16 628.6366577 0.20 629.2462769 0.54 634.2367554 0.04 636.6172485 0.08 638.5191040 0.41 639.8093872 0.06 640.4107056 0.13 641.0768433 0.28 644.0122681 0.22 650.2867432 0.27 667.5189819 0.07 668.3633423 0.33 669.0620117 0.08 669.7465210 0.62 673.8173218 0.17 682.7934570 0.11 684.4317017 0.17 685.4320068 0.42 686.6361084 0.25 691.0427246 0.03 692.9782104 0.18 694.0593262 0.32 698.2015381 0.71 699.2536011 0.10 702.5302124 0.30 707.1287231 0.07 708.5029907 0.15 712.6703491 0.03 716.2524414 9.79 717.3060303 0.72 723.5487061 0.13 724.8514404 0.31 726.3565674 0.15 726.9915161 0.09 730.3704834 0.29 742.3739624 0.29 743.0011597 0.03 744.2291260 4.29 745.3378296 0.14 748.7338257 0.24 752.5014648 0.20 754.1154175 0.10 761.8405762 0.06 764.6168823 0.91 765.4354858 0.62 768.0466919 1.77 769.0342407 0.09 775.5169067 1.08 776.5948486 0.49 779.1278687 0.51 779.9303589 0.03 781.3087769 5.77 782.0056152 0.10 783.1622925 0.09 784.5570679 0.09 786.8781128 0.21 787.4829712 0.14 788.9389648 0.16 789.8810425 0.25 797.2256470 53.13 798.3436890 3.35 804.1322632 0.07 808.4699097 0.05 812.9315796 0.08 815.1788940 100.00 816.1872559 9.59 816.8372803 0.03 822.2435913 0.04 823.9317627 0.13 830.3591309 0.14 834.2233276 0.56 841.2000122 0.31 843.5269165 1.90 844.6826782 0.41 848.5607910 0.16 852.4418335 0.15 857.1886597 0.30 859.1864624 0.17 860.2000122 0.24 866.4766235 0.23 867.6137695 0.20 869.2136230 0.27 871.9033203 0.14 873.4025879 0.03 875.0678711 0.07 879.7565918 0.16 882.0734863 0.04 883.3975220 0.20 885.4205933 0.03 887.8490601 0.13 888.9474487 0.25 906.1914673 0.06 909.3739624 0.24 912.3271484 0.12 913.4003296 0.49 914.6611938 0.18 915.3154297 0.32 916.7186890 0.03 934.6958618 0.08 944.4342651 0.03 945.3278198 0.11 952.5847168 0.19 954.4411621 0.14 963.5954590 0.10 965.3012695 0.54 970.4364624 0.10 972.4091187 0.79 973.4711914 0.27 975.7926636 0.06 983.3034058 0.55 992.8486938 0.06 1001.1187130 0.12 1010.5620120 0.16 1040.7387700 0.10 1061.1923830 0.10 1064.5578610 0.98 1065.4757080 0.20 1082.3049320 36.03 1083.4664310 3.53 1105.9218750 0.17 1123.7404790 0.04 1166.8404540 0.08 1173.2823490 0.05 1188.9772950 0.05 END