#DEFINITION	Reference Metabolome for Solanum tuberosum
#IDENTTFIER	RefMeta-Solanum tuberosum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Solanum tuberosum
#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 Solanum tuberosum 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	159.05
Annotation	Allantoin
Peak:m/z	Relative Intensity
60.8540611	5.91
72.0972443	0.04
72.8431702	0.08
105.9080811	0.26
115.9583740	100.00
130.9488373	1.65
133.6928253	0.14
142.3346558	0.10
149.8386688	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	807.9276
Annotation	Unknow
Peak:m/z	Relative Intensity
230.1394196	0.16
231.1184387	0.08
253.7393799	0.93
258.4054565	0.24
261.3574219	0.38
262.1419678	0.90
306.3221741	2.86
318.2024536	0.57
324.3068542	3.56
325.2593994	0.16
360.3406982	0.22
365.0893555	0.34
372.2980347	0.22
389.2841187	0.50
390.1486206	0.28
392.0975342	0.12
418.2269897	0.18
421.2130127	1.34
422.2152100	0.12
436.5874023	0.26
460.0309448	0.08
463.4940796	0.10
485.4599609	0.26
488.7179565	0.27
492.3816528	1.09
493.2934570	0.51
525.1700439	0.16
535.4458008	0.54
553.4520874	0.14
569.5095825	0.10
683.6843262	0.24
695.3929443	0.12
713.4542847	0.11
716.2964478	0.74
720.8717651	0.87
727.1201782	0.18
729.5518799	1.04
737.7835083	0.99
741.2692261	1.31
745.4449463	1.07
751.2132568	0.07
752.4551392	1.08
755.8275757	2.00
757.7254028	2.93
758.4805908	0.15
759.3289185	1.04
760.8263550	1.09
761.5275879	1.32
764.5935059	5.48
765.8676147	1.58
766.8990479	4.55
768.2614746	23.65
769.0966187	0.42
770.1723633	7.80
771.0781250	3.85
772.4894409	2.33
773.8117065	19.33
774.5101929	3.21
775.2627563	0.33
776.2047119	2.59
778.7301025	4.76
779.6098022	0.25
781.4990845	1.43
782.2826538	0.87
783.3363037	2.64
784.5723267	13.17
785.3789673	4.15
786.6480103	7.98
787.3955688	1.63
788.1087036	59.35
789.2814941	1.29
790.1486206	26.02
790.8625488	1.68
792.0545654	0.99
793.0493774	3.67
793.7076416	83.76
794.6893311	1.20
795.3986206	0.46
796.5415649	0.52
797.2338257	1.46
798.3422241	0.29
799.3883057	0.63
800.6113892	0.36
805.1611938	0.07
817.7569580	2.51
820.2152100	0.87
838.7161255	0.86
845.2312012	0.37
849.6908569	0.35
851.0049438	0.59
858.5880737	0.30
863.3792114	1.12
864.0154419	0.11
865.6798096	0.95
867.7062378	0.79
873.8195190	0.53
874.7978516	2.91
875.4835815	1.69
877.0604858	0.84
878.2886353	0.77
879.3662109	3.86
880.0748291	0.74
883.2521362	2.47
885.0756226	1.00
885.7037964	0.94
887.4306641	20.30
888.1413574	2.09
889.1227417	2.28
890.8515015	1.25
892.0490112	2.00
893.7940063	0.71
894.7015991	1.57
896.0885620	1.32
897.2531738	1.54
898.1417847	3.12
899.3621216	1.36
901.7009277	10.82
902.9860840	4.64
904.0521851	5.89
904.6810913	0.05
906.3395386	2.65
907.0426636	0.13
907.8695679	1.44
908.9550171	1.89
909.5845337	1.16
910.7841797	10.99
911.5969238	6.78
912.2992554	3.99
912.9858398	3.18
914.0930786	0.34
914.8532104	1.14
916.0575562	1.17
917.0072632	1.49
918.0586548	0.40
918.8392944	1.04
920.6360474	4.41
921.5451050	2.53
923.8574219	1.43
925.1457520	6.92
926.1321411	9.40
927.2069702	3.08
929.6589355	77.07
930.5560913	7.75
931.1788940	3.78
931.8715210	1.01
933.5986328	0.77
934.6087036	2.13
936.2985840	1.39
937.5659790	0.61
939.4972534	0.37
940.6077271	2.06
941.5951538	2.71
942.9550781	0.19
943.9443970	0.96
944.7610474	3.63
945.4080200	2.26
946.8820801	1.02
947.9624634	2.32
948.8953247	1.46
949.8190308	0.59
950.6782227	4.47
951.3122559	4.09
952.7565918	2.40
953.6054688	3.42
954.9448242	3.27
955.5969238	3.05
956.3196411	4.28
958.3525391	14.27
959.4342651	13.30
960.1317749	10.48
960.8135376	5.05
962.3814087	29.46
963.2494507	8.90
963.8760376	1.70
965.3588257	0.38
966.8058472	100.00
967.5830078	40.96
968.6157837	0.42
969.6303101	1.04
970.3054199	0.12
971.4399414	0.16
973.9588013	4.11
974.6931152	1.60
976.0320435	2.54
977.4074707	3.13
978.3396606	2.92
980.0614624	0.78
980.6765747	0.91
982.8537598	3.16
984.5167847	4.95
985.2494507	3.05
987.3207397	17.27
988.5730591	2.36
990.9995117	5.64
991.9368286	44.85
992.9663696	1.35
994.3024292	1.33
995.1616211	0.69
997.3195190	0.89
1001.1250000	0.75
1027.3955080	0.30
1028.4501950	0.96
1038.5524900	0.28
1060.7529300	0.72
1063.0533450	0.77
1064.9873050	0.83
1074.8759770	0.48
1075.4890140	0.49
1080.4385990	0.86
1086.3862300	0.26
1087.9475100	1.34
1094.4328610	0.54
1095.3179930	0.33
1096.6638180	0.47
1098.5123290	0.26
1099.1329350	0.72
1100.0196530	0.37
1105.3427730	3.32
1106.1298830	0.51
1107.8928220	0.55
1108.5600590	0.64
1110.1823730	1.33
1110.9655760	1.13
1111.8206790	2.73
1114.5012210	0.37
1116.3353270	1.25
1117.5770260	0.82
1121.1506350	2.40
1123.2668460	0.51
1123.9550780	0.92
1127.3433840	0.17
1129.6281740	0.69
1132.1298830	0.89
1134.7956540	2.77
1137.1240230	0.43
1138.1184080	5.79
1143.6398930	3.78
1145.3903810	4.10
1147.6408690	1.21
1152.0668950	0.54
1153.7380370	3.28
1156.9851070	2.95
1159.0468750	0.08
1163.4289550	1.75
1164.1029050	0.13
1165.6567380	0.74
1168.6783450	4.58
1169.6118160	5.43
1170.4338380	0.13
1171.5632320	1.39
1175.7362060	0.53
1176.3466800	0.66
1178.7524410	0.37
1180.9515380	6.44
1181.7943120	1.48
1185.2541500	0.26
1193.3411870	0.66
1195.9888920	1.43
1196.6484380	0.82
1198.1755370	0.29
1202.4321290	0.56
1206.5593260	0.45
1208.0676270	0.44
1208.8308110	0.46
1210.0236820	0.50
1211.3355710	0.25
1215.2873540	3.02
1218.7453610	0.67
1219.9514160	2.61
1221.4799800	0.99
1222.8515620	0.08
1223.5676270	0.21
1224.8303220	0.34
1231.8408200	1.11
1239.3127440	0.27
1242.9627690	1.56
1251.0644530	0.81
1252.8804930	0.77
1279.7385250	1.22
1281.5988770	0.11
1287.6112060	0.74
1288.4774170	0.38
1289.2032470	0.98
1305.8433840	0.45
1334.7249760	0.76
1347.5958250	0.60
1367.8853760	0.66
1370.1719970	0.17
1416.3393550	0.53
1448.7608640	0.13
1477.3553470	0.24
1490.9166260	0.27
1515.2165530	0.61
1527.1124270	0.96
1567.4521480	0.06
1643.0979000	0.25
1667.1579590	0.20
1676.1984860	0.13
1705.1120610	0.54
1714.1560060	0.12
1716.4002690	0.14
1720.8016360	0.34
1741.9587400	0.09
1744.1881100	0.16
1770.4088130	0.20
1776.2591550	0.57
1782.2415770	0.18
1792.7259520	0.08
1804.5109860	0.15
1812.6545410	0.07
1816.9713130	0.10
1818.3176270	0.16
1821.0812990	7.48
1823.0887450	0.26
1824.3048100	0.17
1829.1907960	0.06
1830.7291260	0.09
1834.6292720	0.27
1841.3155520	0.30
1842.1353760	0.11
1844.6976320	0.29
1850.9235840	0.16
1856.0554200	0.10
1864.0783690	0.34
1865.1688230	0.51
1866.1199950	0.17
1871.8006590	0.12
1876.6114500	0.28
1878.2779540	0.38
1883.3289790	0.36
1890.2650150	0.07
1893.5594480	0.94
1898.8751220	0.25
1900.4173580	0.46
1902.5596920	0.31
1905.7687990	0.06
1906.5013430	0.08
1913.3126220	0.24
1914.5587160	0.50
1917.1771240	0.08
1922.1237790	0.91
1926.5814210	3.58
1929.2176510	1.04
1929.8748780	0.22
1931.7281490	4.78
1933.9696040	1.88
1935.2276610	0.17
1936.4813230	0.58
1937.1402590	0.11
1940.1124270	3.74
1940.8001710	4.05
1941.7369380	1.02
1942.5671390	0.09
1944.0783690	0.90
1945.8503420	0.43
1946.7164310	0.96
1949.2877200	0.25
1950.2845460	0.37
1952.0095210	0.42
1953.0158690	0.23
1954.3592530	3.15
1957.6678470	0.80
1958.9929200	1.72
1962.3790280	2.60
1963.2702640	1.91
1964.1893310	0.63
1965.4586180	0.82
1967.4720460	1.97
1969.0526120	0.61
1971.4012450	0.74
1973.9622800	3.02
1974.9605710	0.53
1975.6317140	0.29
1977.0013430	1.41
1979.0076900	0.49
1980.3443600	0.54
1981.1539310	0.07
1982.2203370	0.56
1983.3397220	2.98
1984.0474850	1.71
1990.0504150	0.86
1992.6375730	1.32
1993.9685060	12.39
1995.7502440	9.63
1997.4782710	7.86
1999.0295410	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	203.0826
Annotation	Ethotoin
Peak:m/z	Relative Intensity
72.0122833	0.62
73.9316711	0.80
74.6302338	0.04
86.1248627	0.02
92.9520111	0.02
95.9437866	0.03
112.9743195	0.02
116.0119476	31.06
128.2450256	0.37
129.1339417	0.24
130.0914307	0.99
130.9819489	0.05
132.0978546	0.55
142.0253448	14.37
144.0562897	0.04
157.3491821	0.09
159.1428375	100.00
161.2390137	0.07
167.0707855	0.04
172.9543762	1.95
175.0208588	0.01
176.0695801	0.05
185.9685974	10.24
203.2042694	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
128.1713409	0.11
130.9027405	0.16
142.9934387	0.13
149.2377777	0.20
161.2147522	0.06
163.0117340	0.04
164.4880524	0.10
165.2835388	0.18
178.9092102	0.30
189.2877045	0.48
190.2952271	0.21
191.2137451	0.22
192.2457581	0.02
207.2568817	2.05
208.1243286	0.74
209.2109680	4.56
210.1593018	0.81
216.0548553	0.04
225.2037659	1.93
226.2501984	0.51
227.1655273	0.02
233.1650543	0.02
234.1108704	0.16
240.0100098	0.04
241.4718018	0.03
245.1192627	0.13
249.8277893	0.04
251.1778259	5.33
252.2191162	1.33
257.6803894	0.07
269.2138062	100.00
270.2773743	30.73
271.1311035	0.12
286.0210571	0.14
287.2313843	2.15
288.1934204	0.46
289.1321411	0.02
294.1294861	0.09
328.9722290	0.04
330.3244629	0.09
336.0675354	0.03
341.3533936	0.03
346.1758728	0.06
354.3012695	0.02
371.3204651	0.02
374.7025146	0.02
378.9771729	0.02
381.4305725	0.03
387.9807434	0.07
389.2934570	0.21
390.3512878	0.21
392.2800598	0.08
403.4021912	0.08
404.4002380	0.12
406.1608582	0.19
407.2855530	0.08
412.0588379	0.03
414.1099243	0.55
416.1533508	0.09
427.2245789	0.07
431.3943176	1.09
432.3370056	0.81
433.0702515	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0877
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
109.1520996	0.21
131.1238708	0.22
135.0078125	9.54
149.1522827	0.25
155.1699524	0.52
172.2132568	0.26
179.0265961	100.00
210.1211243	0.66
211.1484375	0.28
216.3428345	0.26
231.2045898	0.30
233.1625977	0.75
244.9206238	0.20
251.2360229	1.84
254.8848877	0.16
256.3349915	0.35
257.0164185	0.70
261.0736084	0.17
267.0328064	0.57
278.4109497	0.24
279.378418	0.22
281.0651245	1.15
294.183075	0.45
295.1371765	3.42
297.1196899	0.61
298.2981262	0.16
305.0127563	0.26
311.3386841	0.21
312.4923706	0.14
313.9746399	0.21
321.3503723	0.25
323.3361816	2.13
324.0821228	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	292.1498
Annotation	C20915
Peak:m/z	Relative Intensity
133.0131073	7.49
142.1799927	2.41
160.0808411	100.00
230.8443909	2.57
238.3110352	0.21
248.7792358	0.16
262.2182312	0.61
274.3151245	1.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	549.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
162.9943848	4.80
201.0654755	0.40
254.2247620	5.97
255.0275879	100.00
259.1276245	0.74
298.1528320	0.87
303.1699829	0.52
310.5117798	0.39
318.2495117	0.38
319.0792236	0.73
324.1231079	0.26
324.9113159	3.45
416.7971802	33.85
417.4927979	1.69
449.4260254	0.56
450.9762573	2.92
518.2723389	0.17
529.8604736	0.29
530.6062622	0.25
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
280.3876343	21.24
313.2988892	41.83
324.9825439	33.58
329.0888062	7.78
483.303894	23.66
494.8390503	26.66
501.2001953	100.00
503.1324463	25.03
527.6070557	14.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	407.1722
Annotation	Ethotoin
Peak:m/z	Relative Intensity
115.9059067	0.31
123.9512329	0.02
130.2106171	0.07
142.0922241	0.53
143.9998474	0.04
149.3565369	0.01
159.1463013	1.43
166.1121216	0.02
173.1098938	0.08
174.9636536	0.02
180.9082031	0.04
184.9534607	0.07
186.1254883	0.37
189.0931091	0.03
190.2086334	0.02
199.1761475	0.07
203.0597076	100.00
203.8616028	0.02
220.0692902	0.02
221.2615356	0.02
223.0230103	0.02
231.2714844	0.03
244.1130066	0.02
249.2492371	0.15
261.2573242	0.11
267.1370850	0.60
267.9576111	0.01
271.1145020	0.05
275.8833618	0.02
286.2890320	0.07
311.2151489	0.02
319.0069580	0.02
323.1787109	0.01
327.3792419	0.03
345.6919556	0.03
360.4521790	0.01
361.2117615	0.05
362.3450623	0.09
363.1770325	0.10
379.2270813	0.02
388.2128601	0.03
389.2767029	0.47
392.3208923	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	677.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
221.2831268	0.10
225.5514221	0.17
272.3819885	0.16
283.2187195	0.50
358.8617554	0.40
365.4075317	0.14
427.8619995	0.38
456.3933716	0.62
459.1978760	0.18
487.2973633	0.40
496.4800415	1.00
534.0421753	1.43
605.6328125	0.31
608.6723022	1.42
629.0955200	0.87
633.7472534	0.23
634.4094238	0.10
636.0682983	0.22
637.0223999	0.60
639.1947632	0.13
640.9000854	1.82
658.9225464	0.16
662.3018188	1.36
706.5405884	0.34
734.3434448	0.28
735.5313110	0.55
777.6631470	1.58
797.3242188	0.87
802.3001099	1.23
805.2330322	0.78
809.3983154	1.02
811.2333374	1.89
812.0515137	0.23
821.7797241	0.98
839.4105835	1.19
845.0422974	1.15
847.9786987	0.49
854.1606445	6.32
858.8950195	0.74
862.1252441	0.15
880.5928345	0.40
920.5652466	0.50
923.0922852	0.24
973.6535645	0.46
987.0402222	0.24
1058.3940430	0.10
1206.9544680	0.54
1388.3760990	0.14
1575.3830570	0.12
1643.8912350	0.18
1652.6995850	0.15
1692.7928470	0.28
1706.5266110	0.13
1710.2883300	0.14
1713.5383300	0.20
1742.7208250	0.28
1752.4400630	0.38
1762.6583250	0.33
1774.1241460	0.39
1780.6223140	0.12
1783.4993900	0.64
1789.3924560	0.67
1798.7048340	0.11
1803.0987550	8.08
1804.1343990	0.20
1809.0396730	0.24
1811.5506590	0.51
1812.9974370	0.44
1814.2624510	0.48
1825.5554200	0.14
1826.3778080	0.18
1828.6607670	0.30
1832.7049560	0.13
1836.0662840	2.75
1836.7912600	0.23
1837.7064210	0.12
1843.7864990	0.12
1845.3756100	0.60
1846.0563960	0.79
1847.0716550	0.80
1848.5443120	0.21
1851.9688720	0.12
1855.1322020	1.69
1869.2567140	0.15
1870.4097900	0.17
1871.4699710	0.26
1872.4206540	0.63
1873.3341060	0.80
1877.6364750	0.49
1882.9361570	0.21
1885.6823730	0.47
1886.6544190	0.27
1888.5969240	3.31
1890.5550540	0.11
1892.1359860	0.42
1894.3133540	0.31
1896.4327390	0.63
1899.2745360	1.57
1903.1048580	0.07
1904.6473390	0.09
1907.0206300	0.13
1910.5924070	0.17
1912.3944090	0.29
1914.8477780	0.17
1917.5279540	1.94
1918.6573490	0.31
1919.3156740	0.55
1921.9685060	0.13
1923.4704590	0.17
1924.4564210	0.31
1925.2308350	2.68
1926.0665280	0.26
1927.5115970	0.81
1928.3836670	0.36
1929.1268310	0.22
1930.0656740	0.36
1930.8336180	0.33
1931.9494630	2.86
1933.1341550	0.75
1936.1134030	0.38
1937.3684080	0.69
1940.7239990	0.62
1942.6741940	3.24
1943.3127440	0.19
1944.4108890	0.74
1945.3143310	1.11
1946.5496830	0.80
1948.8068850	0.21
1949.7271730	0.14
1950.5538330	0.14
1951.2491460	0.35
1951.8728030	0.11
1952.9406740	0.90
1953.5939940	2.68
1955.0113530	0.21
1957.3850100	8.40
1958.6574710	0.17
1960.0347900	0.48
1960.7965090	0.52
1961.9547120	0.77
1964.9581300	0.29
1966.1451420	0.06
1966.9183350	0.33
1967.8391110	0.12
1968.5510250	0.39
1970.2733150	0.09
1971.2711180	0.17
1973.6721190	2.50
1976.3267820	3.38
1977.2730710	0.63
1980.3721920	0.18
1981.3736570	9.84
1983.5422360	5.76
1984.2418210	0.68
1987.1190190	5.01
1987.7482910	1.96
1989.2966310	3.54
1990.3850100	2.13
1993.1311040	3.33
1993.9187010	3.63
1996.2540280	1.37
1997.5808110	3.63
1998.7391360	0.27
1999.3488770	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.2707
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
169.1381531	0.10
178.8408661	0.03
197.2969971	0.27
203.2392120	0.03
206.9692230	0.05
211.2983398	0.08
213.2915192	0.04
215.2207489	6.29
216.2426758	0.08
219.0342560	0.06
219.9844818	0.09
221.0768127	0.07
225.5210724	0.09
227.1072693	0.16
229.3100281	0.40
230.4251404	0.05
231.3037262	0.07
239.2712860	0.14
241.4236755	0.19
245.3838348	0.04
255.0489502	0.06
257.2945251	0.53
259.2131958	0.02
263.3865051	0.03
271.5092468	0.04
281.3929443	0.08
283.3039246	0.03
296.8988647	0.02
299.2922363	0.16
309.3997803	0.05
311.5205078	0.11
313.2550659	0.02
323.4796753	0.04
331.2925415	0.06
339.0570679	0.05
341.2944336	0.01
357.3240356	0.06
359.4025269	9.27
360.3149414	0.17
363.0403442	0.07
377.3660278	100.00
378.4031982	2.04
379.2725220	0.03
391.3176880	0.44
392.5530396	0.04
393.6021118	0.08
394.4678345	0.04
395.2781372	0.05
401.3357544	3.55
402.4705811	0.10
413.3519897	0.06
419.4434814	0.56
424.4333496	0.06
429.3143921	0.14
431.2843628	0.03
443.1228027	0.11
445.5627441	0.07
447.6117554	0.11
449.6782837	0.11
451.3187256	0.10
454.4699707	0.03
457.6018677	0.02
463.6725464	0.04
467.2373047	0.05
485.1441040	0.08
491.9247437	0.07
493.3783569	0.13
495.1950684	0.26
496.3650513	0.05
503.3569336	0.60
520.2835693	0.12
521.4943848	27.02
522.3584595	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	830.9623
Annotation	Unknow
Peak:m/z	Relative Intensity
265.5082397	0.08
309.4287720	0.14
362.2142944	0.18
366.9433594	0.17
406.4208374	0.05
423.3632812	0.10
429.1907959	0.08
441.1652222	0.06
450.9529419	0.14
452.6812744	0.09
492.7792969	0.08
516.4429932	0.28
540.3522949	0.13
752.3322144	0.07
770.7310791	0.76
776.9432983	0.32
777.8301392	0.51
779.9959717	0.26
781.5216675	0.52
783.8031006	0.91
786.9296265	5.60
787.8833618	0.45
789.0130615	0.26
790.2630005	0.17
791.0881348	1.47
794.1108398	0.31
795.6264038	1.14
798.0984497	1.09
799.2417603	1.40
801.3890381	5.35
802.2642212	0.06
803.2280884	0.38
804.1884155	0.17
804.8973389	15.03
805.8220825	0.64
807.0490112	0.16
808.4185181	0.59
810.0842896	0.16
810.9096680	0.27
814.1501465	0.14
815.3088989	1.00
815.9133911	0.12
818.6084595	0.63
820.8481445	2.60
822.1215820	0.35
823.0109863	0.16
824.7139282	0.07
867.6754150	1.24
871.3847046	0.18
872.3046875	0.11
878.5675659	0.07
882.3179932	0.13
883.3743286	0.12
884.1352539	0.09
885.0886841	0.41
889.9129028	0.09
893.1781006	0.94
895.3436890	0.18
895.9967041	0.20
898.2938843	0.36
912.8640137	0.51
917.4053345	0.23
921.9689331	2.57
922.7343750	0.61
925.0155640	0.45
926.3290405	0.72
927.9248657	1.01
933.7116699	0.23
934.5217896	0.30
941.1282349	0.05
946.2736816	0.62
947.0776978	0.09
949.3307495	1.27
950.1362305	0.40
950.8187866	0.73
954.4722290	2.67
955.0761108	4.41
955.8281250	0.46
956.5910645	0.14
957.7282104	0.22
959.7006226	2.14
962.8203735	6.65
963.5225220	0.50
964.4796753	0.38
965.5763550	0.72
966.2590332	0.02
968.6576538	1.56
969.7475586	0.31
970.7409668	0.68
973.2123413	2.80
974.1707153	1.30
974.9365845	0.60
975.7783203	0.83
977.6291504	19.49
978.9015503	0.69
980.2030640	1.62
980.9349976	0.71
982.1376343	5.03
983.5106812	3.05
984.7079468	0.18
985.7224731	0.42
987.5715332	6.52
988.2009277	54.54
989.1081543	2.20
990.2720337	1.60
990.9197388	1.93
991.7021484	0.31
992.5861206	0.28
994.7741699	0.53
995.8461304	0.08
997.0417480	1.12
998.2678223	0.19
999.1283569	2.49
999.8457642	0.08
1001.3722530	15.23
1002.1527710	2.24
1003.1965330	0.49
1003.9644170	0.32
1005.1770630	11.35
1005.9741210	100.00
1007.3047490	1.21
1008.4735720	1.59
1010.4436040	30.80
1011.4550170	0.59
1013.3205570	0.49
1014.4673460	0.04
1015.2084960	0.08
1016.2111820	0.24
1016.9597780	0.24
1018.8471070	0.11
1020.5399780	0.26
1036.7822270	0.04
1041.4965820	0.08
1043.0780030	0.13
1051.5688480	0.14
1058.1813960	0.22
1081.7037350	0.07
1083.1395260	0.56
1084.4029540	0.16
1106.6596680	0.04
1112.1339110	0.46
1134.9185790	0.09
1140.1975100	0.85
1144.2978520	0.15
1152.9533690	0.79
1160.2636720	0.19
1161.0761720	0.18
1182.4145510	0.82
1187.6993410	0.05
1189.4503170	0.40
1190.2460940	0.20
1191.4296880	0.44
1197.7778320	0.27
1207.5720210	0.37
1208.5217290	0.14
1217.4652100	0.20
1218.5823970	0.45
1227.2163090	0.06
1227.9283450	0.21
1230.5390620	0.07
1234.4484860	0.52
1235.1904300	0.03
1237.1463620	0.06
1238.2692870	0.08
1240.0705570	0.91
1240.9738770	0.27
1243.3070070	0.66
1244.8664550	2.15
1245.7791750	0.31
1249.2846680	0.72
1250.3719480	0.07
1256.7880860	0.39
1257.6081540	0.25
1262.6177980	0.37
1265.5330810	0.19
1268.1699220	0.34
1269.3968510	0.33
1272.2906490	0.30
1273.0638430	0.58
1276.3085940	0.18
1278.5208740	3.94
1279.2464600	3.33
1287.6766360	0.09
1291.8704830	0.10
1296.6854250	0.44
1297.5411380	0.26
1298.3204350	0.42
1301.5147710	0.37
1303.1585690	0.17
1305.7045900	1.49
1306.5113530	0.30
1307.5805660	0.43
1309.7463380	0.17
1311.4270020	0.58
1340.1771240	0.24
1379.7049560	0.21
1421.8197020	0.15
1429.7169190	0.05
1464.8857420	0.23
1474.4188230	0.21
1485.2727050	0.44
1491.6204830	0.08
1494.1540530	0.38
1510.2556150	0.13
1515.3416750	0.21
1533.7779540	0.10
1542.6439210	0.03
1562.3153080	0.06
1567.3997800	0.11
1638.1363530	0.14
1654.3786620	0.21
1667.1716310	0.12
1703.2508540	0.13
1719.6514890	0.30
1725.6588130	0.19
1735.4107670	0.05
1741.0252690	0.19
1746.0399170	0.04
1747.2894290	0.07
1772.2166750	0.31
1785.6138920	0.04
1802.5330810	0.07
1803.5349120	0.03
1824.1864010	0.09
1829.7814940	0.32
1833.4739990	0.11
1836.5100100	0.07
1837.8880620	0.16
1838.5228270	0.14
1855.5379640	0.09
1857.1363530	0.11
1857.9490970	0.26
1863.0911870	0.08
1864.5892330	0.12
1865.2575680	0.09
1868.7633060	0.46
1869.3806150	0.05
1874.3011470	0.11
1881.8275150	0.07
1884.0437010	0.55
1886.4617920	0.09
1893.3728030	0.04
1895.6966550	0.04
1897.0344240	0.04
1897.6599120	0.24
1904.0773930	0.21
1905.9310300	1.88
1906.5466310	0.04
1908.3302000	2.98
1909.9964600	0.17
1911.9871830	1.05
1913.4989010	0.45
1915.8309330	0.27
1916.9163820	0.10
1920.3972170	0.12
1921.6348880	0.65
1923.3615720	0.25
1925.2360840	0.07
1925.8797610	0.08
1928.1644290	0.11
1929.2454830	0.13
1937.5344240	0.06
1941.8690190	1.20
1943.7100830	0.11
1946.2264400	0.09
1948.2327880	0.66
1951.6522220	0.20
1954.6262210	0.24
1956.8521730	0.36
1959.0046390	0.04
1959.6353760	0.12
1960.8145750	6.38
1964.5294190	7.01
1965.3654790	0.10
1969.6644290	12.35
1970.3250730	0.17
1971.9366460	0.92
1974.1867680	0.30
1975.3400880	0.04
1978.3807370	0.29
1979.4678960	2.18
1981.2237550	0.18
1982.8270260	3.58
1984.2849120	10.14
1985.6600340	0.54
1986.5471190	1.15
1987.2860110	0.49
1988.9439700	0.08
1989.8405760	1.93
1991.0286870	0.77
1992.1292720	0.06
1993.0295410	0.18
1993.9989010	0.34
1995.1153560	0.04
1996.2464600	0.80
1996.8966060	0.12
1997.7927250	0.39
1999.6073000	8.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.2917
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
154.7132874	0.22
161.0812225	0.20
165.4969177	0.38
179.9954834	0.40
198.1531067	0.33
206.0145569	0.28
211.2133636	0.18
216.0782471	0.35
263.1783752	3.93
282.4849243	0.54
291.1407471	0.17
306.2430725	0.77
319.6741028	1.03
337.3459778	66.71
342.3847656	0.67
357.9854431	0.49
380.7089233	0.87
397.2286377	0.19
417.1610107	5.48
419.4452820	0.27
426.9458923	0.16
429.3020325	0.67
434.2837830	0.46
435.3153687	1.01
442.5706482	0.22
445.5704651	0.18
459.7802429	7.62
460.3919678	100.00
474.0675354	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	147.1125
Annotation	Lysine
Peak:m/z	Relative Intensity
72.2059631	0.01
74.9399490	0.02
84.0283051	1.48
100.9850769	0.26
114.8153839	0.04
129.2318268	14.61
130.0189514	100.00
130.9538269	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
90.9858551	0.16
93.14743042	0.07
102.7543488	0.36
103.8551941	0.10
105.9660797	0.23
124.0006866	0.10
128.9807129	0.41
129.9950867	0.54
140.9737244	0.13
142.8251801	0.04
151.0294037	9.04
152.0784454	4.13
155.1804504	0.09
158.4282532	0.07
163.826889	0.04
165.1487274	0.09
167.0704803	0.28
168.0330963	0.18
170.0720673	0.09
177.1470337	0.13
179.0294342	0.69
180.1549835	0.15
183.9652863	0.20
186.0539703	0.46
191.2881775	0.06
194.1659698	0.19
197.1161957	1.28
198.1812592	0.27
208.2338104	0.08
211.1111298	0.19
212.0612946	0.17
224.409256	0.07
225.2373047	0.48
226.2466888	1.40
236.3598633	0.66
237.5738525	0.53
238.2467804	1.21
239.2384644	1.77
240.2431183	0.10
251.1933441	0.35
253.0917358	100.00
254.2317657	7.62
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
122.9610138	4.98
135.1803589	1.45
158.7735291	2.06
163.0554047	5.31
172.9940643	1.86
174.9862061	9.43
176.0235443	2.46
178.1868896	15.51
181.2617798	3.07
194.1616364	7.10
196.9607239	3.27
213.8313446	4.45
241.3276672	2.27
256.1793518	6.32
272.1914978	4.30
281.3192749	3.28
285.8020325	2.74
293.3179932	2.86
294.5422058	5.80
299.5530701	3.58
300.4735413	12.69
310.4932251	8.56
322.1665039	2.47
325.119751	3.07
329.3018188	3.55
336.821167	6.53
337.5134888	4.41
338.959259	10.35
339.6201782	4.48
340.527832	12.54
341.9075317	9.04
349.0800171	2.26
369.3407593	3.18
380.3478699	7.69
383.565094	5.85
388.3914795	2.95
390.7403259	4.50
391.4900513	7.75
394.1952209	25.11
398.3477478	7.89
403.9082947	6.54
408.2645569	100.00
409.4242859	23.22
416.9243469	2.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	317.0943
Annotation	Allantoin
Peak:m/z	Relative Intensity
115.8977203	0.61
157.2183838	1.25
159.0013733	100.00
203.3955688	1.17
275.9927368	3.33
286.7262268	0.75
299.0487976	1.70
299.9907227	0.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	943.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
277.3595581	1.12
287.1586609	0.16
291.4670410	0.04
295.3995056	1.92
296.4175720	0.22
300.4633484	0.06
303.2619629	0.11
317.5418701	0.08
319.3366089	0.12
332.4508057	0.05
341.4551697	0.29
359.5557861	0.19
361.2353516	0.10
366.1498413	0.21
368.6267700	0.04
385.4283447	0.15
403.4953003	0.24
404.3759766	0.33
439.6914062	0.10
457.4724731	0.19
467.3521729	0.29
468.4819946	0.18
482.7261963	0.04
499.5054932	0.21
500.6060181	0.20
535.4105225	0.20
567.1386108	0.08
583.5598755	0.48
584.6444092	0.65
585.6280518	0.40
586.4480591	0.06
601.4684448	3.62
602.4423828	1.41
619.5016479	6.09
620.6190186	1.89
634.6765747	0.07
661.5305786	0.06
685.7681885	0.08
699.9524536	0.18
745.6473389	0.44
746.5150757	0.70
750.4856567	0.31
763.5103760	29.68
764.5075073	12.82
765.7274170	0.09
777.2212524	0.05
779.7590942	0.11
781.5121460	100.00
782.6021729	38.44
794.1083984	0.13
795.3548584	0.12
796.4776001	0.49
805.7624512	0.60
810.2082520	0.04
823.6607056	0.40
824.5293579	0.33
836.5689087	0.10
858.2799072	0.05
877.8388672	0.07
879.8818970	0.10
907.4493408	0.82
908.3130493	0.07
908.9453125	0.03
925.5239258	16.96
926.5757446	9.04
946.4513550	0.08
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
92.9798737	2.60
107.8794403	0.04
136.9496460	100.00
161.0645752	0.19
187.0449524	0.06
203.2056580	0.47
205.3807068	0.11
206.1484985	0.04
210.2235718	0.06
212.9732361	0.05
226.9814148	0.02
236.8620300	0.06
239.0912781	0.08
241.0432129	0.08
252.5711975	0.27
253.2237854	0.14
255.1177063	0.31
256.9728088	0.19
263.3015442	0.23
269.4231262	0.03
279.1560364	0.08
280.5436401	0.23
281.3417358	0.47
282.3321533	0.02
283.1864624	0.04
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
158.9558563	3.46
159.9727173	1.60
160.9870758	0.79
171.2145996	0.12
199.0471497	0.28
200.1057129	0.23
201.0037994	0.30
217.0495148	0.08
217.8787842	0.09
219.1499786	0.14
229.0905762	1.31
229.8851471	0.40
230.8419037	0.15
273.0158997	51.53
274.0552979	31.91
275.0242615	29.46
344.2135620	0.08
357.2361755	0.04
359.5983582	0.05
376.2070923	0.09
387.0794373	54.03
388.0190430	73.30
389.0258484	100.00
397.0104675	0.04
412.0221558	0.07
412.9270325	0.19
417.1081848	0.06
428.1051941	0.18
429.1907959	0.04
445.9721069	0.12
446.9610901	0.06
456.4190979	0.34
457.1989136	0.48
457.9842834	0.23
459.1052246	0.03
465.8844910	0.04
473.6939087	0.03
475.2180786	0.04
477.8600769	0.07
484.5659485	0.05
490.9552612	0.04
492.9703979	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1144
Annotation	Lactulose
Peak:m/z	Relative Intensity
132.1355591	0.11
135.0876160	0.11
161.1054077	0.22
188.8889008	0.04
191.1838684	0.18
193.2035370	0.13
194.9899597	0.09
203.0773315	0.05
231.9723511	0.07
249.1437378	0.20
249.9696350	0.07
250.7539673	0.14
275.1810913	0.04
281.9078979	0.06
284.0087585	0.10
287.2113342	0.05
289.1863403	0.66
290.9519043	0.46
300.0631714	0.23
302.1930542	0.12
305.1672974	0.03
308.4392090	0.11
311.2488403	0.04
321.3395996	0.05
322.9433594	0.28
327.4500732	0.12
341.1821899	100.00
343.4740295	0.33
345.3016968	0.06
351.0408936	0.90
357.9805603	0.19
368.9376526	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.8710556	0.27
100.9371338	0.36
107.9133759	4.20
108.9559784	5.83
112.7924194	0.17
120.9891663	2.18
123.0204163	1.62
131.9261475	0.41
133.1302795	0.24
134.0761108	0.13
135.0690002	3.00
136.1276703	0.41
136.7385406	0.22
143.0791626	0.16
151.0714722	5.10
151.9452209	27.37
153.0231781	100.00
161.0831909	0.39
163.0261993	8.67
165.0200043	12.35
175.0818024	0.78
177.0534973	0.64
179.0857239	2.27
180.9626465	2.25
183.0041046	0.58
189.1529541	0.49
191.1390686	0.18
193.0690155	1.77
194.0997314	0.36
195.1157227	4.41
200.2960052	0.11
202.953064	0.12
204.9949951	0.11
207.0180664	1.87
211.014679	0.10
215.8808594	0.16
217.1384277	0.20
219.2813416	1.17
223.0410461	0.25
225.1353149	8.46
227.006958	0.14
230.8775635	0.22
237.0697937	1.43
242.292511	0.36
243.0940247	0.15
249.1759644	0.13
253.2516479	0.23
255.0209656	1.61
259.7562256	0.07
269.2043457	1.34
269.9824219	0.15
271.4905701	0.77
279.1915283	0.16
286.9464417	0.46
296.3946533	0.21
297.4580688	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	310.1156
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
100.9119263	0.23
102.0928802	0.09
119.1721115	0.14
120.1704254	0.12
133.0358887	3.74
147.2543945	0.12
148.8093262	0.10
162.9360046	0.27
167.9568481	0.11
178.0765686	100.00
178.9704132	0.38
180.7962341	0.07
191.9544678	0.42
211.0276184	0.15
217.0567932	0.23
217.9877014	0.18
219.2210388	0.16
220.116394	1.71
221.1777344	0.18
238.2382507	0.15
264.0609436	2.19
265.915802	3.00
266.6002808	0.09
268.2597961	0.09
272.2000427	0.19
274.3211975	0.15
281.984436	0.15
292.2388916	0.72
293.1224365	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.2594
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
123.0092239	0.72
142.8912354	1.15
155.1835022	0.88
157.8446655	0.88
163.0050354	1.32
171.2182007	0.88
184.1080017	1.55
185.0682983	13.53
186.05896	3.47
195.2904205	2.28
199.2362976	3.86
200.2221069	0.62
209.4243774	0.82
211.0976562	0.78
212.9547119	0.67
216.5245667	1.86
225.1747437	2.40
226.4273071	0.78
227.247406	6.23
227.9842834	1.32
237.2558594	7.09
240.901825	1.65
253.4081421	38.99
254.6221924	10.95
255.2672729	11.31
256.2620239	0.72
260.265564	0.88
262.0726929	1.82
263.2625122	18.04
263.9492798	4.06
267.1819763	3.64
279.1913147	2.31
281.239502	100.00
283.2159729	7.46
299.2216187	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
107.1012878	0.05
131.0965271	0.18
135.0429382	6.58
160.9817810	0.15
178.9934998	100.00
180.9840698	0.10
184.1283569	0.16
209.8885498	0.19
211.1241455	0.07
220.9134827	0.05
227.1304016	0.12
238.9166565	0.06
240.8556824	0.31
246.6228943	0.18
250.9079590	0.08
253.0314331	0.09
279.2255554	0.13
281.2840576	0.09
294.2927856	0.33
295.2296753	0.46
296.4563904	0.22
297.1632996	0.27
303.3023071	0.06
305.2047424	0.41
313.2795410	0.06
323.1567078	0.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
148.1952515	0.16
176.7001190	0.10
203.2937622	0.22
227.3413391	0.09
258.1909485	0.25
259.1132507	0.31
262.2275085	0.07
287.3292542	0.16
300.9988403	0.13
302.1206665	0.10
303.0421753	1.74
304.2009583	0.41
305.0606689	0.31
306.1745911	0.34
315.0007935	0.09
319.7728882	0.04
358.3839111	0.05
378.1443787	0.13
381.1336975	0.23
404.7943726	0.11
415.1542053	0.05
443.4873962	0.21
444.5564575	0.11
446.3021240	0.20
447.5749207	0.14
460.0582581	5.75
461.2143860	100.00
463.2108154	0.43
470.2684937	0.27
471.3532410	0.04
484.5872192	0.21
488.3021545	0.39
489.3583069	0.31
498.0250854	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	905.67
Annotation	Unknow
Peak:m/z	Relative Intensity
364.4558716	0.76
372.4360962	0.19
802.6026611	1.54
821.5869751	3.54
823.6713257	0.82
827.5355225	0.64
852.9960938	3.84
854.1748657	2.54
863.3799438	0.59
877.9924316	0.42
878.9779663	3.72
884.8497925	0.85
886.9520874	0.31
936.4583130	3.28
969.7144165	2.47
993.8350220	2.98
1001.4418950	1.38
1015.3815310	3.72
1033.4479980	0.54
1044.1417240	3.24
1053.2569580	2.21
1066.0760500	4.70
1070.3681640	2.08
1078.2790530	2.98
1202.7923580	1.32
1246.7646480	0.70
1286.9703370	2.45
1524.5618900	0.52
1525.5062260	0.28
1562.1987300	0.68
1563.3288570	0.22
1666.8997800	0.43
1680.2496340	2.23
1698.2808840	0.93
1705.3795170	0.30
1707.3620610	0.45
1758.1961670	1.07
1760.3843990	14.69
1764.2994380	0.32
1770.9416500	3.34
1778.9468990	1.15
1785.9865720	0.30
1798.5466310	0.84
1800.5476070	0.32
1814.0450440	0.87
1816.1234130	0.33
1820.8604740	0.31
1821.7702640	1.42
1825.6048580	0.43
1827.0059810	0.45
1828.1927490	2.82
1828.8079830	1.92
1830.4079590	1.18
1832.1881100	1.24
1835.6447750	2.35
1839.7589110	0.44
1841.2878420	0.99
1842.1125490	3.66
1843.5872800	10.56
1845.0456540	1.77
1846.6164550	0.31
1850.2611080	3.43
1851.5518800	2.02
1852.4144290	0.28
1863.1921390	3.51
1865.5355220	0.28
1867.3052980	0.50
1868.0212400	25.21
1868.8562010	0.88
1870.4855960	1.59
1871.2198490	0.34
1877.1724850	0.36
1885.1312260	0.25
1887.0806880	5.82
1891.1610110	0.59
1892.5889890	0.37
1893.3363040	34.10
1894.9229740	1.30
1896.9544680	9.78
1898.6207280	15.10
1900.3083500	0.50
1901.0686040	0.64
1903.0334470	9.10
1906.0989990	0.32
1907.2420650	13.70
1909.4079590	3.92
1911.0438230	5.92
1912.0992430	0.36
1915.2771000	0.71
1916.7800290	97.84
1917.8937990	33.73
1919.3282470	1.10
1920.9739990	2.89
1923.4063720	88.79
1924.1213380	0.59
1925.9818120	12.63
1927.4884030	0.81
1930.2576900	0.42
1934.0963130	43.62
1935.9973140	2.94
1936.9139400	0.50
1938.1927490	1.31
1940.0804440	1.77
1941.3499760	12.40
1942.8859860	6.35
1944.9938960	3.66
1946.6417240	4.67
1947.6065670	1.43
1949.3360600	4.86
1950.2044680	45.80
1951.3277590	3.39
1952.1409910	5.26
1953.8880620	3.28
1955.1599120	37.41
1960.1331790	16.15
1960.9108890	34.88
1962.2150880	0.83
1962.8944090	3.18
1964.0687260	2.32
1966.0347900	26.21
1967.1915280	1.89
1967.9373780	23.85
1969.0211180	32.09
1970.6343990	1.04
1972.1080320	7.68
1972.8104250	3.92
1973.6857910	3.06
1974.3913570	1.77
1975.4299320	3.63
1976.4283450	17.94
1977.6619870	49.48
1978.9835210	0.36
1980.1558840	2.87
1980.9544680	25.12
1981.7316890	1.96
1982.7932130	16.74
1984.7066650	54.56
1986.9669190	14.51
1988.0699460	3.56
1989.4743650	1.92
1990.9001460	0.42
1993.1939700	100.00
1995.3939210	19.43
1996.6385500	30.72
1997.8016360	2.67
1999.4665530	3.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	729.88
Annotation	Unknow
Peak:m/z	Relative Intensity
270.2025146	0.09
272.9754333	8.46
274.0733643	2.90
387.0305786	14.07
388.0546875	4.97
456.9852295	0.15
485.8263550	0.19
499.1571045	0.06
500.9566040	70.10
502.0742188	30.81
555.1452026	0.37
585.2289429	0.17
595.7390747	0.06
598.9152222	0.28
608.9716187	0.60
610.3273926	0.18
613.0545044	0.10
614.8715210	100.00
615.9503784	65.83
617.4630737	0.14
625.9432373	0.14
627.0604858	0.68
628.1427612	0.30
639.8189087	0.10
645.1871948	0.06
645.8261108	0.24
655.0178223	4.78
655.9913940	3.10
657.0330200	0.66
673.1438599	1.41
674.2124634	0.31
674.9385376	0.23
682.9058838	1.04
683.9943237	1.08
684.9201660	0.11
696.9268799	0.75
701.1140747	0.35
702.2992554	0.15
711.0773315	0.42
842.8016968	0.60
843.8897095	0.63
956.9006958	2.69
957.9122925	1.91
1070.9779050	3.08
1071.7518310	2.78
1072.4284670	1.05
1184.6929930	3.89
1185.8498540	3.94
1186.8071290	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
95.05049133	0.03
103.0258942	0.17
103.8278503	0.07
128.9590149	0.64
129.8886108	0.90
141.3105316	0.11
142.0984344	0.04
145.0204926	0.06
148.3683167	0.14
149.2245331	0.05
150.9742889	10.16
151.9918213	3.78
153.0308075	0.13
153.8565674	0.06
155.2703857	0.06
156.1996765	0.07
159.9467316	0.04
164.9889069	0.14
166.1138	0.32
167.1216583	0.26
167.780426	0.18
168.4271393	0.10
169.2843018	0.26
170.2514038	0.23
171.1485748	0.22
177.1476898	0.15
179.0511322	0.05
180.2372131	0.18
182.255188	0.29
185.0543823	0.10
186.1161041	0.21
189.9801788	0.05
192.9316864	0.06
195.0836029	0.16
197.1082306	0.37
198.1819611	0.49
208.2592926	0.14
210.1025085	0.15
211.2637482	0.05
212.2836914	0.31
213.2422638	0.11
225.1760712	0.72
226.2090454	1.00
235.3201447	0.09
236.1253815	0.05
236.9384155	0.30
238.0754547	1.00
239.0949707	1.33
240.269577	0.27
251.1447144	0.18
253.0911102	100.00
254.1081696	5.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1067.8201
Annotation	Unknow
Peak:m/z	Relative Intensity
323.4146118	0.12
326.1621094	0.66
326.9962158	0.11
344.0924988	0.14
348.4035034	0.11
400.1001587	0.36
417.4750061	0.11
431.3651733	0.07
434.2459717	0.30
454.4276733	0.08
460.5729370	0.07
461.4203491	0.17
488.8318176	0.09
528.2299194	0.10
532.3959961	0.38
533.1452026	0.07
538.5227661	0.16
539.3462524	0.05
552.7575684	0.06
553.4876709	0.19
566.1311035	0.11
567.5728760	0.10
574.4750977	0.21
591.6251221	0.15
602.4790039	0.21
603.2883301	0.06
606.2491455	0.61
619.4174805	0.32
642.7300415	0.18
645.2315674	0.57
646.9151611	0.09
651.5469360	0.92
653.4147949	0.08
659.3685303	0.18
660.7326660	0.15
706.7830200	1.13
717.4190674	0.09
718.6226807	0.35
775.0913696	0.26
787.6142578	0.16
791.1693115	0.48
791.7810059	0.04
808.4361572	1.38
809.5903320	0.71
847.5778809	0.51
852.3612061	0.18
855.9466553	0.18
858.7227783	0.62
875.0462646	0.15
883.4323730	0.44
887.0157471	0.09
895.1354980	0.39
896.5963135	0.24
904.7579346	0.44
907.8789062	0.58
908.6268311	0.23
911.4451904	0.86
912.7904053	0.65
927.3565674	0.05
930.6173096	0.18
932.8105469	1.22
933.7180176	0.54
935.2890625	0.33
935.9135742	0.55
939.9285889	5.36
943.6152344	0.35
947.5283203	0.25
949.8349609	1.19
954.1806641	2.31
956.0080566	0.10
956.9584961	0.40
960.8703613	0.74
963.2045898	0.15
964.2972412	0.89
966.9902344	0.23
968.3540039	4.85
970.1901855	0.33
970.8386230	0.84
971.6441650	0.26
973.6308594	0.46
974.9108887	0.19
976.2701416	0.19
977.3454590	0.64
978.5976562	1.21
982.7724609	4.94
983.4678955	2.58
984.7595215	0.29
986.2491455	2.87
987.2145996	29.06
988.5725098	1.98
989.2774658	0.39
990.5798340	0.35
993.0378418	11.82
994.1066895	0.48
994.8559570	0.09
997.8884277	0.40
999.7211914	0.13
1003.3800050	2.58
1004.1159670	0.69
1005.0117190	0.11
1006.8120120	1.83
1009.8175050	1.69
1010.9887700	5.61
1012.2416990	0.31
1013.5317380	0.06
1014.2641600	2.51
1014.8659670	1.00
1015.5295410	42.67
1016.7447510	2.57
1017.5216060	0.04
1018.8105470	0.59
1021.1700440	23.00
1022.2705080	3.32
1023.1513670	0.35
1024.4865720	0.70
1025.1708980	0.05
1025.7774660	0.05
1028.0729980	0.41
1030.1246340	0.07
1031.3190920	1.21
1032.0209960	0.27
1033.5821530	3.08
1034.1939700	0.58
1035.5585940	7.34
1036.6064450	0.38
1039.5693360	0.12
1041.2308350	6.18
1042.0889890	1.08
1043.0533450	0.19
1044.9492190	0.16
1046.6174320	0.80
1049.2114260	0.15
1050.1308590	0.12
1051.6966550	1.27
1053.2692870	0.17
1055.3889160	0.24
1056.5762940	0.31
1060.6467290	0.25
1074.6469730	0.08
1078.8454590	0.30
1083.3122560	0.20
1084.3979490	2.44
1094.0498050	0.25
1096.9237060	0.17
1098.1278080	0.83
1099.0524900	0.44
1100.9472660	1.48
1101.5949710	0.04
1108.8930660	0.50
1115.2170410	1.03
1117.0791020	0.16
1122.3220210	3.79
1122.9375000	0.24
1125.7867430	0.27
1127.0382080	0.05
1129.0839840	0.23
1130.8225100	0.35
1131.6265870	0.07
1132.4399410	0.44
1134.9272460	0.24
1138.8469240	0.81
1147.1436770	0.33
1149.6380620	1.65
1150.7163090	0.37
1152.4809570	1.34
1153.6110840	1.97
1155.1457520	14.95
1155.9912110	0.25
1156.6928710	0.15
1157.3706050	0.10
1158.5788570	0.42
1161.2050780	0.09
1162.9288330	0.12
1164.8940430	0.68
1165.6748050	0.62
1168.8815920	0.27
1172.6166990	0.59
1173.7990720	0.84
1175.6606450	0.07
1176.9476320	1.75
1179.5727540	0.16
1182.1914060	0.26
1191.6418460	0.49
1196.7615970	0.21
1201.8604740	0.62
1207.3009030	7.53
1208.2607420	1.83
1209.4448240	5.75
1210.3193360	0.91
1213.6583250	0.12
1215.0893550	5.64
1215.7060550	0.76
1219.8028560	0.09
1221.9078370	0.82
1222.5620120	0.26
1223.1820070	0.09
1227.0993650	0.33
1229.9018550	0.09
1230.9753420	0.27
1234.4918210	0.33
1236.3397220	0.36
1240.3372800	2.10
1241.2365720	0.91
1243.3046880	1.04
1244.0930180	1.25
1246.9372560	3.70
1247.6142580	1.98
1248.3856200	0.07
1252.2600100	1.07
1252.9484860	7.61
1253.6921390	0.15
1262.5623780	0.88
1263.8824460	0.66
1264.7207030	0.21
1265.9206540	0.39
1266.8846440	0.37
1269.8100590	0.10
1271.5949710	3.28
1272.6749270	0.32
1274.0227050	0.08
1277.8333740	2.56
1278.5976560	4.86
1279.5061040	1.30
1281.2896730	0.11
1283.7393800	0.16
1284.5582280	0.56
1285.5941160	8.22
1286.3343510	0.77
1290.2866210	4.16
1293.5507810	0.48
1304.7447510	0.36
1305.4400630	0.27
1310.0364990	19.35
1310.7874760	2.33
1311.5889890	0.47
1312.5313720	0.31
1315.2344970	7.10
1315.9090580	100.00
1316.7315670	5.66
1317.6604000	2.40
1318.5364990	0.59
1319.5698240	0.07
1321.7847900	0.21
1323.5260010	22.92
1324.3156740	3.63
1325.3540040	0.34
1326.0426030	0.23
1327.4559330	0.14
1328.5092770	0.05
1336.0141600	0.94
1342.6209720	1.79
1343.8311770	0.19
1344.9617920	0.16
1347.7268070	5.60
1348.5440670	5.65
1349.4399410	0.46
1352.1534420	0.66
1353.6104740	41.72
1355.1920170	2.05
1356.3212890	0.73
1357.0017090	0.19
1358.2304690	0.10
1358.9646000	0.29
1360.7910160	5.73
1361.4038090	23.78
1362.2706300	1.23
1363.1457520	0.34
1364.0150150	0.99
1365.4334720	0.46
1368.0582280	0.14
1370.6644290	0.29
1374.3350830	1.87
1375.0771480	0.10
1377.5471190	0.34
1380.3441160	17.35
1381.3907470	0.27
1383.3037110	0.06
1384.7705080	0.19
1385.8695070	1.57
1386.6452640	1.70
1387.4053960	0.63
1389.6551510	0.28
1390.7012940	0.42
1398.4324950	1.02
1399.5305180	0.47
1406.9669190	0.48
1420.2673340	0.36
1427.0334470	0.40
1440.7877200	0.08
1442.0484620	0.13
1467.9613040	0.05
1473.8941650	0.08
1483.8494870	0.34
1491.6484380	0.04
1502.9119870	0.20
1520.4688720	0.39
1521.1859130	0.24
1523.8930660	0.37
1526.1746830	0.13
1528.3144530	0.36
1546.9830320	0.12
1549.7877200	0.90
1550.5358890	0.17
1553.5001220	0.31
1555.2044680	0.18
1567.5050050	0.13
1568.4545900	0.10
1569.8332520	0.58
1575.1734620	0.17
1576.0374760	0.07
1583.0792240	0.13
1584.6721190	0.08
1586.9237060	0.20
1587.8145750	0.45
1590.9799800	0.26
1623.2644040	0.19
1639.2025150	0.25
1651.7658690	0.49
1662.7132570	0.10
1663.7159420	0.22
1684.7398680	0.07
1690.2839360	0.12
1697.3128660	0.23
1700.0705570	0.17
1704.2584230	0.22
1717.2048340	0.31
1720.1014400	0.07
1727.5452880	0.27
1730.6872560	0.09
1732.1536870	0.44
1735.1502690	0.04
1738.4149170	0.30
1748.4429930	0.12
1752.7088620	0.09
1755.7633060	1.04
1761.5811770	0.03
1764.7209470	0.75
1765.8151860	0.26
1771.0333250	0.12
1771.7471920	0.14
1777.0451660	0.04
1800.6099850	0.04
1808.3363040	0.03
1809.2474370	0.12
1821.1693120	0.60
1822.2025150	0.22
1823.0106200	0.17
1828.6627200	1.61
1835.6086430	0.08
1839.0129390	0.27
1842.8604740	0.19
1855.4801030	0.04
1857.6706540	0.22
1858.3845210	0.24
1859.6055910	0.79
1861.1331790	0.10
1862.0042720	0.11
1871.1051030	0.80
1875.5206300	0.84
1877.7274170	2.09
1881.1436770	0.11
1888.7823490	0.08
1896.3269040	0.15
1896.9372560	0.05
1900.4373780	1.81
1905.7474370	0.19
1906.8480220	0.10
1909.2415770	0.50
1909.8908690	0.05
1911.9051510	0.05
1915.5909420	1.09
1916.2595210	0.29
1917.6140140	0.07
1918.4069820	3.51
1920.5020750	0.38
1925.1680910	0.13
1931.4935300	0.76
1932.1002200	0.08
1932.8258060	0.30
1934.2288820	0.07
1935.5909420	0.04
1937.5607910	0.19
1938.3690190	0.05
1939.4854740	0.16
1942.7121580	1.38
1945.4025880	0.13
1947.3776860	0.10
1948.4744870	2.86
1950.8299560	9.76
1952.2891850	0.41
1956.0578610	2.07
1957.1951900	1.15
1960.2813720	0.18
1961.1853030	0.07
1962.9583740	0.18
1964.4185790	0.07
1965.4569090	0.55
1966.9034420	0.26
1968.5870360	0.55
1970.2072750	0.09
1971.2175290	0.96
1974.2469480	4.15
1974.8875730	0.35
1975.9002690	0.04
1981.2301030	0.07
1982.2540280	0.20
1985.8469240	0.49
1987.0469970	23.95
1988.4847410	6.73
1989.3870850	0.11
1991.4163820	4.78
1992.0946040	0.28
1993.7971190	0.72
1995.7854000	7.12
1997.5391850	2.93
1998.3553470	0.13
1999.0084230	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
110.7832336	0.04
115.2432251	0.05
120.9938049	0.02
127.2084503	0.09
135.141449	0.56
150.4786072	0.01
155.0764465	0.05
158.070343	0.04
160.9905701	0.26
171.1671753	0.06
173.033844	1.21
179.0843506	4.80
191.0385437	100.00
196.9335022	0.05
208.0527191	0.02
214.3295288	0.02
224.6946411	0.07
232.3315735	0.05
252.9188843	0.02
257.2721558	0.02
259.1678467	0.01
265.2690735	0.06
273.3361206	0.06
279.6293335	0.02
280.3814697	0.02
290.3511963	0.03
299.353363	0.02
307.1749878	0.45
308.4017944	0.03
309.1942749	0.20
316.4407349	0.08
317.1075439	0.23
320.3284607	0.11
334.0668335	0.08
335.4407043	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	291.0284
Annotation	Frutinone A
Peak:m/z	Relative Intensity
145.5339050	0.07
156.1832581	0.04
201.0837402	0.32
218.9342041	0.04
228.9778137	0.02
245.0602417	100.00
247.0212402	84.89
262.5045166	0.36
263.1967468	0.92
271.0024414	0.12
273.1896667	0.03
287.9334106	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.925
Annotation	Unknow
Peak:m/z	Relative Intensity
158.7307281	0.01
199.2109680	0.01
217.3144226	0.11
245.0856476	0.21
273.1668396	0.14
344.2772827	0.05
358.1611328	0.08
359.0450745	0.09
427.1098022	100.00
427.9420471	0.09
429.1274109	0.41
430.0632019	0.04
433.1427612	0.02
445.9531250	0.08
472.3724060	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	5-O-(alpha-Mannosyl)-myo-inositol
Peak:m/z	Relative Intensity
98.85738373	2.65
101.0150681	12.00
112.9699249	22.37
118.896965	18.80
125.1389008	1.94
131.0737152	4.74
142.8983917	22.17
145.9067688	1.20
148.9895325	3.11
161.0002441	20.52
177.028595	2.06
178.0221558	4.67
179.0588531	100.00
187.0988617	2.29
210.1293945	1.03
210.9480286	0.86
214.3796692	3.39
220.8916016	1.20
226.1959229	7.05
228.9043579	1.20
236.9230042	2.40
238.3526001	0.94
241.2064209	3.66
255.1063538	4.77
269.0307617	2.89
269.9424438	3.06
279.3561707	1.12
281.1040039	2.82
295.231781	10.55
296.2017822	1.68
297.2567139	5.32
299.0417175	2.45
313.2507324	8.31
323.2773438	14.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	521.8886
Annotation	Unknow
Peak:m/z	Relative Intensity
193.1371460	2.44
193.9799194	0.10
198.3173828	0.06
220.9566650	1.81
222.0359497	0.19
233.4382629	0.06
242.1510010	0.07
243.4412537	0.05
246.1985474	0.45
253.7023010	4.02
254.8988953	0.10
262.4494324	0.11
303.2241211	1.42
304.5806274	0.03
313.3760986	0.16
329.8519897	0.05
330.7177124	0.10
344.0331421	0.32
359.3406372	2.47
360.3107910	0.33
396.9083862	0.04
421.6831055	0.07
425.5422974	1.76
426.2459717	0.09
434.3258057	0.06
441.0725098	0.03
442.7951660	0.14
444.9020386	0.06
464.6094360	3.03
465.3341675	0.42
467.5762939	0.04
478.6045532	0.25
481.0874023	0.11
482.3063354	0.13
486.3549805	0.23
487.0508423	0.10
490.1786499	0.06
494.6036987	1.48
501.4043579	1.98
503.7625122	0.20
504.9702759	0.30
506.3919067	14.01
507.5386963	4.93
508.5545654	0.30
513.2532959	1.63
514.0030518	0.55
536.5452881	0.42
545.3024292	1.33
545.9924927	1.08
562.9020386	0.53
563.9974976	0.40
564.7041626	0.18
568.0777588	0.36
568.8021240	0.05
569.9861450	0.56
571.1537476	0.09
574.1799927	0.72
577.3680420	0.33
581.4660034	0.42
585.4631958	1.09
586.6195068	1.76
587.3999634	0.61
592.8179321	0.53
593.4967651	0.44
594.7418823	2.85
596.1300659	0.13
596.8555908	0.61
597.6418457	71.71
599.8453979	0.07
603.5900269	0.21
604.5006714	0.33
605.5615845	1.07
606.4862061	0.92
607.6909790	0.48
610.2891235	0.04
615.0229492	0.48
618.8837280	4.59
619.7333984	1.20
620.8076782	1.75
622.1775513	0.40
623.5701294	0.19
624.2589111	0.11
625.5450439	0.06
627.5693970	3.08
628.4757690	0.91
629.3233643	0.07
630.3826294	0.95
631.3513794	0.58
641.0733643	1.30
641.7005005	0.29
648.2631226	0.34
648.9673462	0.30
649.7335205	0.05
654.6660767	0.20
658.7977295	1.92
660.1332397	0.39
661.8864746	0.53
663.0867310	1.15
663.9209595	1.00
668.1659546	100.00
670.0382690	0.50
670.6997681	0.34
671.4310913	0.14
672.4232788	0.16
673.9791260	0.32
674.8504639	0.17
675.6495972	0.11
682.6759644	0.14
691.6211548	0.09
692.2718506	0.20
701.2467651	32.70
702.6803589	0.62
703.4595947	0.08
708.7138062	0.24
715.1038818	0.27
718.4956055	0.04
722.6676636	0.17
733.7146606	0.19
741.5385132	0.07
748.6411743	0.19
749.7211914	0.89
750.4104614	0.80
752.7264404	0.35
753.7061157	0.09
757.7202759	0.04
759.5587769	0.06
760.3652954	0.08
760.9743042	0.51
769.1505737	1.92
770.1692505	0.09
787.9710693	1.16
788.7936401	0.06
791.8142090	0.05
803.6408081	0.05
812.7758179	0.22
814.5454712	0.06
819.6709595	0.16
820.6999512	0.43
828.8917847	0.04
843.7693481	0.12
850.4686890	0.53
851.4851074	0.07
858.2070923	0.12
859.6145630	0.02
862.4733887	0.04
871.9609375	0.14
876.1206055	0.14
879.4721069	0.20
886.6509399	0.22
889.8428345	0.11
891.2993774	0.16
892.5751953	0.18
906.1406250	0.04
919.8021851	0.12
926.5390625	0.04
931.2351074	0.13
935.2539062	0.21
938.7525024	0.03
941.2871094	0.21
945.9171753	0.14
946.7451172	0.47
953.2387085	0.07
962.6853638	0.14
967.0664673	0.18
979.6486206	0.21
982.2531738	0.25
992.8274536	0.07
1010.1266480	0.05
1024.6617430	0.06
1034.0064700	0.10
1034.8726810	0.11
1054.5739750	0.14
1072.7268070	0.09
1077.6074220	0.08
1086.5953370	0.24
1101.3063960	0.08
1113.0297850	0.21
1115.0520020	0.12
1138.7667240	0.13
1214.7933350	0.12
1253.8825680	0.19
1263.6514890	0.13
1348.7635500	0.09
1378.9991460	0.08
1399.3531490	0.03
1406.9986570	0.05
1463.7301030	0.09
1485.9803470	0.03
1513.9168700	0.12
1544.2102050	0.06
1576.7491460	0.03
1592.1854250	0.06
1647.9481200	0.10
1648.7095950	0.16
1652.2312010	0.02
1664.7590330	0.03
1683.5477290	0.15
1694.2088620	0.09
1711.7976070	0.03
1737.5504150	0.04
1740.9114990	0.74
1750.2971190	0.05
1754.2637940	0.06
1769.0975340	0.04
1769.8795170	0.04
1789.6179200	0.12
1791.6599120	0.15
1794.1818850	0.03
1796.2371830	0.06
1799.1517330	0.07
1804.6375730	2.91
1815.0045170	0.70
1818.8843990	0.09
1820.5231930	0.39
1821.4630130	0.92
1822.8229980	0.09
1832.7218020	0.37
1835.3914790	0.04
1837.1838380	0.03
1845.8117680	0.12
1853.5549320	0.13
1855.9812010	0.52
1859.0148930	0.03
1867.6351320	0.02
1870.7899170	0.17
1883.6998290	0.05
1885.0089110	0.64
1886.1315920	0.41
1889.1872560	1.24
1890.4432370	0.04
1891.8602290	0.08
1893.3879390	0.17
1897.2056880	0.02
1898.4053960	1.55
1899.1854250	0.21
1904.8292240	0.10
1906.0617680	0.75
1913.5657960	0.38
1915.5592040	0.23
1916.8283690	0.22
1918.0743410	0.06
1918.7414550	0.12
1920.9312740	1.25
1929.0369870	0.04
1929.6712650	0.48
1930.8991700	0.20
1932.3446040	0.46
1933.4349370	0.12
1934.3240970	0.08
1935.6390380	0.23
1938.0584720	0.94
1943.4017330	0.54
1944.9088130	2.18
1947.2916260	0.05
1948.0487060	3.07
1948.8416750	1.34
1950.6221920	2.43
1953.0064700	1.69
1954.5598140	0.07
1955.9592290	8.32
1957.2593990	0.86
1959.0296630	0.05
1960.0946040	0.96
1960.8659670	0.42
1961.6403810	0.34
1962.6390380	4.25
1964.0328370	0.23
1965.2703860	0.15
1967.1417240	0.69
1968.1818850	0.51
1968.8226320	0.10
1969.4495850	0.03
1970.8458250	0.12
1972.4891360	0.04
1973.6120610	0.73
1974.2999270	0.02
1975.1895750	0.05
1976.8688960	4.72
1978.6145020	1.00
1980.5208740	0.03
1982.4992680	5.63
1983.9382320	0.10
1984.6525880	0.06
1985.7589110	0.30
1987.4499510	0.10
1988.6784670	0.42
1992.3396000	0.24
1994.4553220	0.23
1995.9232180	1.26
1996.7928470	0.07
1997.5915530	0.03
1999.9681400	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
122.9683380	0.24
136.0352173	21.26
147.0789032	0.13
164.9852600	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.21
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
94.93829346	10.82
105.0946579	4.91
107.0052643	3.49
117.3198013	4.58
119.2204437	4.96
121.0221786	11.35
124.0615845	2.03
124.9733887	16.95
129.0913696	7.12
131.1846619	2.69
136.6427002	8.04
139.1381836	6.04
146.9056702	1.54
148.8675385	11.83
151.0735779	16.77
154.4868164	2.04
157.1201782	1.87
160.9081268	7.72
163.2390289	2.69
165.1312103	24.47
166.4716949	6.18
169.1240997	7.35
171.1273346	1.98
175.3215179	3.51
184.9233704	1.87
186.2373047	3.35
190.750061	5.11
194.9901123	5.72
219.4667358	4.73
223.1198425	20.28
233.0949402	4.28
236.5170593	6.02
237.1317749	4.58
247.0673218	1.71
252.8292847	6.39
256.2849731	5.64
257.3835449	10.78
265.0302734	13.97
275.2077637	100.00
276.1760559	4.12
292.9279785	6.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	603.2654
Annotation	Valeriotriate B
Peak:m/z	Relative Intensity
179.1572571	0.14
215.2216644	0.05
231.3691711	0.09
242.1743774	0.09
268.0072632	0.09
317.3969727	0.05
323.0134888	0.21
338.9654541	0.15
346.9905396	0.05
395.3771362	0.07
402.1153564	0.09
407.4411011	0.11
446.3798218	0.12
457.0413818	0.31
477.5402222	0.13
517.2625732	0.06
519.1560059	0.14
545.3035278	0.14
557.3358154	100.00
558.0121460	0.13
567.0911255	0.04
570.9897461	0.10
579.9862671	0.39
584.5440063	0.14
585.2123413	0.10
586.3882446	0.06
603.8569336	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.1
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
111.6536713	0.62
117.0485992	1.25
135.0140839	1.51
145.1603088	5.39
155.177063	1.76
163.0414429	100.00
192.7596283	0.68
205.0113525	1.26
208.1037598	49.28
226.1168823	43.31
239.1302795	2.69
261.2373962	0.80
267.0055542	4.85
282.8807068	0.71
293.1160278	0.92
295.2612305	0.49
309.0979004	1.91
309.7996826	1.02
313.915863	7.65
319.3518677	0.79
322.9759521	0.53
327.1846008	3.95
331.6157227	0.84
336.3103027	0.53
337.3213806	6.00
338.4463501	0.99
354.6199341	0.37
355.3406677	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	615.1721
Annotation	Safflomin C
Peak:m/z	Relative Intensity
179.0867310	4.13
181.8402252	0.04
187.0025024	0.57
198.9369049	0.07
204.5545654	0.05
210.9114075	0.04
215.1461945	0.55
216.0206604	0.19
227.0970917	0.05
231.8529968	0.19
233.0736389	2.21
245.2181702	0.20
255.0015259	0.04
258.1103210	0.09
267.3488770	0.03
270.1907654	0.07
271.2482300	0.10
272.2496643	0.09
290.1215820	0.33
291.0743408	0.32
299.0749817	0.04
306.1774902	0.05
308.1123047	100.00
333.1863403	0.04
346.0067749	0.08
356.3477173	0.13
363.4698486	0.15
371.1614990	0.07
373.5993042	0.03
375.2015381	0.09
389.0543213	0.22
392.2712402	0.12
405.2332153	0.31
415.3091431	0.09
421.3322144	0.15
422.1086426	0.04
423.1246338	3.38
428.5476685	0.08
439.0823975	1.37
448.3390503	0.15
456.3732300	0.12
466.4632568	0.05
468.3053589	0.12
485.4752197	0.03
486.2319336	0.10
494.4096680	0.03
500.5752563	0.13
509.7531128	0.09
551.2921143	0.05
553.4152832	0.23
578.9487915	0.04
596.2126465	0.23
597.2667847	0.43
598.5327148	0.06
606.5043335	0.09
622.7021484	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.192
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
125.0907745	0.14
129.4079285	0.06
131.0513611	0.63
132.9839478	0.05
136.0129700	0.13
137.0731354	0.05
137.9672241	0.07
143.0919800	1.90
149.0051575	0.63
153.0179749	2.45
158.7882996	0.09
161.0348511	5.10
175.2288818	0.02
178.9771729	29.96
179.6726379	0.09
203.1538391	0.02
205.1889954	3.34
223.0899353	5.64
225.0076294	9.74
225.6380615	0.16
237.2998352	0.09
247.3574524	0.11
249.1552734	0.72
261.4304810	0.02
265.3076172	0.83
267.3067322	1.22
269.3547668	0.04
293.1590271	0.08
307.2781982	0.19
335.4846191	0.03
369.8818054	0.09
385.2805481	100.00
387.2555237	1.13
395.3010864	0.05
405.1992188	0.08
413.2993774	0.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	707.1824
Annotation	Speedoside
Peak:m/z	Relative Intensity
265.2113037	0.02
322.1494751	0.07
339.1354980	0.01
340.1908569	0.02
351.4244995	0.02
353.1054077	100.00
375.0377197	0.01
404.0260620	0.01
467.7545166	0.05
513.2552490	0.14
514.4998169	0.29
515.1754761	0.17
531.6366577	0.03
545.1216431	0.13
635.7340698	0.04
662.5480957	0.04
689.5681152	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1090.98
Annotation	Unknow
Peak:m/z	Relative Intensity
342.3598328	0.12
520.3164062	0.25
534.3132324	0.07
599.4210815	0.21
672.5626831	0.29
732.4301147	0.24
733.7491455	0.17
814.3216553	0.38
831.2026367	0.23
845.9063721	0.22
884.6759033	0.94
906.9976807	0.14
907.7513428	0.06
966.4576416	0.24
977.0541992	0.28
981.2717285	0.54
990.0583496	1.11
991.4382324	0.76
995.7033691	0.82
998.6386719	0.61
1003.5124510	0.15
1004.7590330	0.19
1006.4058840	0.15
1010.7919920	0.06
1012.4865720	1.44
1013.3256840	0.08
1014.0821530	0.14
1014.7899170	0.33
1017.2064210	0.14
1018.4862060	0.56
1019.8277590	0.31
1021.2520750	0.56
1021.8936770	0.06
1022.8087160	1.25
1025.3763430	1.60
1026.1794430	0.28
1027.1826170	1.09
1028.1523440	0.24
1029.8813480	0.70
1032.2032470	0.10
1032.8481450	0.18
1033.5178220	0.08
1035.2274170	0.40
1036.6069340	0.64
1041.0325930	0.89
1042.4404300	1.91
1044.5157470	0.69
1046.7084960	3.80
1047.4816890	1.16
1049.1855470	4.09
1050.9787600	7.45
1052.2454830	1.27
1053.6032710	14.80
1054.5351560	0.10
1055.6129150	4.02
1058.0316160	27.72
1058.9445800	0.48
1059.9713130	0.23
1060.7197270	0.42
1061.3852540	0.92
1062.4689940	10.84
1063.1274410	0.95
1064.9953610	2.46
1066.7534180	2.06
1068.0177000	0.07
1070.6479490	0.17
1071.7399900	0.23
1075.0480960	0.46
1075.8743900	1.66
1076.5794680	0.16
1077.8125000	2.71
1079.8251950	0.16
1152.6451420	0.38
1158.0161130	0.22
1190.8319090	0.42
1208.9997560	0.09
1215.4544680	0.25
1221.2135010	0.51
1224.2089840	0.40
1233.4211430	0.60
1238.9089360	0.16
1249.3713380	0.15
1252.0195310	0.16
1260.3496090	0.45
1267.9305420	0.16
1268.9692380	0.79
1269.5921630	0.13
1273.4157710	0.67
1276.5743410	0.75
1277.8422850	0.18
1278.8022460	0.10
1280.8065190	0.65
1281.4096680	0.96
1282.7989500	0.66
1288.9621580	0.56
1290.2137450	0.70
1291.2316890	0.11
1292.6701660	1.07
1298.3292240	0.64
1299.0268550	0.33
1306.1424560	0.14
1307.1307370	0.44
1308.0620120	0.26
1310.8693850	0.54
1311.6745610	0.87
1315.1551510	0.32
1317.4106450	0.70
1319.2043460	1.05
1320.1314700	0.35
1321.8966060	0.89
1323.3710940	0.11
1325.8363040	0.92
1326.7069090	0.44
1327.7460940	1.63
1330.2661130	0.73
1331.2113040	0.26
1332.8883060	0.35
1333.5880130	2.91
1337.2762450	0.16
1339.2353520	0.18
1340.4766850	0.72
1341.2692870	0.69
1341.9088130	0.28
1342.8092040	1.32
1343.9143070	0.63
1345.7523190	0.09
1346.8428960	0.31
1348.0491940	0.22
1349.3334960	1.50
1353.5903320	0.96
1355.1617430	3.10
1356.1513670	1.20
1357.4475100	1.20
1360.2393800	0.69
1361.5806880	0.68
1363.5766600	1.75
1364.4320070	1.61
1366.0662840	1.55
1367.2366940	2.38
1369.6357420	0.14
1372.5579830	10.24
1373.4334720	1.24
1376.9830320	1.17
1378.5579830	17.83
1379.4962160	0.35
1382.8967290	2.46
1383.9322510	0.81
1384.7598880	1.00
1387.0733640	1.20
1391.1585690	0.49
1392.1343990	1.91
1393.1700440	1.67
1393.9503170	1.43
1395.5682370	2.03
1397.8785400	0.67
1399.9355470	1.32
1401.1629640	3.17
1402.0434570	1.17
1402.7169190	0.14
1404.3697510	3.92
1405.1785890	2.03
1406.7415770	2.27
1410.3278810	29.57
1412.3360600	0.23
1413.0720210	0.41
1416.3250730	100.00
1417.8907470	0.92
1418.5570070	0.60
1419.4703370	0.12
1422.3839110	0.45
1466.6887210	0.17
1490.9975590	0.14
1492.5639650	0.47
1515.7220460	0.76
1520.1717530	0.28
1526.8453370	0.38
1533.4161380	0.34
1534.7474370	0.14
1538.2843020	0.85
1557.2713620	0.11
1567.9439700	0.09
1568.7410890	0.19
1621.4998780	0.38
1627.9616700	0.35
1658.9647220	0.10
1661.0124510	0.12
1671.3548580	0.31
1675.3817140	0.36
1679.7738040	0.23
1681.0749510	0.27
1686.1751710	0.09
1690.1252440	0.38
1702.2224120	0.07
1724.3591310	0.21
1731.4508060	0.20
1741.3553470	0.09
1744.8319090	0.13
1749.1921390	0.29
1751.4787600	0.20
1754.4885250	0.25
1762.5904540	0.24
1765.1707760	0.26
1777.8176270	0.24
1780.1007080	0.10
1781.9709470	0.14
1789.1063230	0.13
1789.7471920	0.22
1792.4395750	0.25
1793.5491940	0.07
1796.1939700	0.30
1797.6771240	0.78
1798.4655760	0.65
1804.6112060	0.10
1817.2282710	0.16
1823.4630130	0.41
1827.4553220	0.39
1828.2438960	0.89
1829.1427000	0.12
1843.7117920	0.24
1847.4444580	0.10
1848.2263180	0.07
1850.2872310	0.20
1851.7117920	1.40
1858.3607180	0.32
1861.1395260	0.53
1865.2185060	1.08
1869.5299070	0.14
1872.1047360	0.09
1877.0524900	0.14
1882.3771970	0.73
1883.0915530	0.51
1885.1715090	1.13
1888.6383060	0.09
1890.0354000	0.21
1894.7237550	0.07
1895.3509520	0.36
1901.9920650	0.18
1906.2774660	0.65
1910.8323970	0.09
1914.4407960	0.13
1915.2308350	0.13
1916.3117680	0.39
1917.5968020	0.36
1920.5910640	0.07
1925.9157710	0.52
1927.1248780	0.11
1928.0915530	0.66
1928.9976810	0.51
1931.6243900	0.28
1933.3586430	0.12
1935.4196780	0.14
1936.0798340	0.06
1937.3620610	0.30
1938.6296390	1.94
1939.3415530	0.05
1943.0626220	0.78
1943.8801270	0.45
1945.1873780	0.53
1948.7740480	0.19
1951.8651120	0.09
1952.6678470	0.51
1953.8204350	3.30
1955.0672610	0.42
1955.8546140	0.07
1960.1046140	0.07
1961.0557860	0.06
1961.9615480	0.73
1963.5129390	0.14
1964.7751460	0.14
1965.5596920	0.07
1967.0935060	0.22
1968.4602050	0.44
1969.2457280	0.11
1970.6740720	0.09
1971.6959230	0.60
1973.8693850	0.89
1975.9764400	0.12
1977.4305420	0.44
1978.4317630	0.13
1980.3220210	0.15
1980.9600830	0.09
1984.9592290	5.92
1986.1876220	0.32
1988.1633300	0.57
1989.1398930	2.32
1990.3796390	0.38
1991.8029790	1.19
1995.2264400	0.77
1997.1291500	5.60
1998.9274900	56.61
1999.8394780	5.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1435.6
Annotation	Unknow
Peak:m/z	Relative Intensity
431.3037415	0.27
464.5272827	0.46
530.4501953	0.36
557.5854492	0.25
560.2714844	0.67
561.4118042	0.35
562.5858154	0.20
576.5191650	0.45
578.4586182	0.33
579.1959229	0.23
592.3773804	1.06
603.3723145	0.80
607.4301758	0.61
612.5522461	1.51
613.4628906	0.38
618.5393066	0.13
625.7910156	1.15
641.3887939	0.23
652.4145508	0.43
663.3881836	1.10
684.3386230	0.33
695.4079590	0.23
713.4443359	0.20
718.6373291	0.61
728.4639282	0.36
731.5310669	1.35
737.3735352	1.25
745.8229980	0.66
748.8492432	0.97
750.4741211	0.35
753.1492920	0.37
759.4603271	0.23
760.1895752	1.48
762.4751587	0.76
765.2611084	0.18
769.7528076	3.22
783.1978760	0.23
792.5582275	0.53
812.6861572	0.35
817.4694214	0.51
838.1799316	0.80
850.0350342	0.15
861.2772217	0.41
870.6126099	0.79
908.9072266	0.25
911.2532959	0.65
913.6337891	0.41
915.9841309	0.30
916.7010498	0.70
921.8017578	0.79
925.7985840	0.33
928.3297119	0.72
932.1975098	0.34
933.9703369	0.95
939.1611328	3.65
940.2525635	0.59
945.4916992	0.43
947.9603271	0.92
953.3262939	0.81
955.7301025	1.22
957.6604004	1.48
963.3072510	1.49
965.6519775	1.01
966.7939453	0.64
969.6387939	0.56
972.3614502	0.48
973.0574951	0.12
974.2697754	2.00
975.0556641	0.74
976.4132080	1.06
980.2692871	3.44
982.8355713	0.58
984.9383545	1.08
986.1014404	1.87
986.7694092	1.48
990.4945068	7.78
991.4959717	3.34
995.4044189	5.19
996.2017822	0.53
997.1710205	4.70
999.5428467	3.74
1000.4713130	1.71
1001.3922120	2.13
1003.0406490	2.76
1003.8513180	1.50
1005.2691650	0.83
1006.1351320	2.86
1008.2092290	0.48
1011.5628660	2.63
1012.4448240	31.88
1013.2897950	1.40
1014.0264890	0.46
1014.8172610	0.28
1016.0472410	2.55
1016.9731450	2.58
1017.8251950	1.83
1019.7084960	0.64
1020.6694340	1.03
1025.5910640	1.13
1028.1685790	4.48
1028.7724610	0.22
1029.3864750	0.97
1033.4517820	0.31
1035.7692870	0.51
1037.4501950	0.18
1038.6275630	0.47
1040.2834470	0.38
1042.5988770	1.66
1048.1202390	2.64
1052.2297360	1.12
1053.3979490	0.64
1057.5770260	1.45
1058.7049560	0.41
1059.5579830	0.25
1060.2172850	0.87
1061.6679690	1.16
1064.5925290	0.51
1066.3181150	0.78
1069.6123050	0.18
1070.3145750	0.93
1075.2099610	1.33
1077.2519530	0.17
1080.0883790	2.49
1081.4421390	3.60
1082.4703370	2.22
1083.2796630	0.20
1085.0241700	2.45
1090.0932620	3.67
1091.9936520	0.54
1093.1740720	0.61
1093.9881590	0.54
1095.4829100	0.87
1097.6002200	0.56
1098.3640140	1.63
1100.7116700	0.79
1101.7753910	0.80
1105.0253910	1.05
1106.8663330	12.85
1107.9287110	3.85
1111.6032710	1.26
1112.9406740	4.25
1113.7257080	1.35
1114.4948730	3.00
1117.3548580	1.37
1120.3398440	0.40
1122.8781740	2.49
1123.7840580	5.52
1124.5513920	0.90
1131.5747070	1.29
1132.4807130	0.95
1133.2775880	0.25
1137.8028560	0.22
1139.3696290	14.14
1140.2187500	4.14
1140.8519290	0.56
1145.4340820	2.20
1147.8632810	0.54
1150.1442870	0.17
1152.8201900	1.76
1155.1494140	0.53
1156.6987300	0.93
1159.7479250	0.30
1162.1655270	0.74
1163.4599610	0.36
1164.1120610	0.79
1165.0794680	0.43
1171.8940430	3.12
1172.9682620	1.75
1174.0052490	1.08
1174.6258540	1.27
1176.5676270	1.23
1177.6484380	0.33
1178.6979980	2.65
1179.5097660	7.03
1185.4187010	0.36
1188.2324220	2.05
1189.2565920	1.23
1190.5686040	0.39
1193.8735350	1.26
1195.3029790	0.54
1196.8532710	0.44
1197.4956050	1.46
1198.8435060	3.69
1201.6970210	0.27
1204.5126950	1.92
1209.5729980	0.97
1210.5549320	0.33
1211.7556150	1.78
1213.2935790	0.27
1215.6616210	0.23
1218.1055910	0.31
1221.8588870	2.17
1226.5578610	2.18
1227.9114990	0.32
1228.5144040	2.34
1230.3125000	0.29
1234.8308110	2.08
1238.6306150	0.22
1240.0462650	2.43
1243.6799320	0.25
1245.4434810	0.64
1249.6629640	0.50
1251.5695800	0.85
1252.6076660	0.92
1254.4758300	2.01
1256.2517090	1.25
1257.1518550	0.44
1257.9871830	2.86
1260.2976070	1.37
1261.1824950	1.51
1262.5095210	1.72
1263.8205570	3.03
1264.9362790	0.58
1266.4106450	4.23
1267.7338870	1.14
1270.5986330	1.95
1271.4958500	1.93
1272.3883060	2.68
1274.1829830	2.89
1274.8007810	4.03
1276.8548580	1.86
1277.6331790	5.33
1278.6762700	2.51
1280.4475100	1.29
1281.5346680	1.33
1283.1398930	5.66
1284.0874020	0.82
1285.3675540	11.05
1286.2050780	1.54
1286.9139400	1.47
1288.0227050	6.15
1289.4460450	3.03
1290.4008790	5.90
1291.9963380	8.53
1292.7062990	0.52
1293.3225100	0.36
1294.4617920	3.24
1295.8565670	6.66
1296.8125000	3.96
1297.6489260	6.37
1298.3408200	0.45
1299.7330320	1.26
1300.4860840	2.14
1301.2082520	1.35
1302.4454350	3.61
1303.4337160	6.12
1304.4658200	2.07
1305.5261230	1.83
1306.4489750	12.11
1307.5805660	7.62
1308.8012700	1.02
1309.9112550	0.75
1310.9750980	0.87
1311.7607420	3.84
1313.8762210	4.00
1315.6752930	1.36
1316.3183590	1.02
1317.3964840	8.44
1318.0450440	2.55
1319.8093260	2.98
1322.6557620	5.88
1323.7818600	4.19
1324.3819580	2.45
1329.0749510	3.46
1329.9873050	3.60
1331.3029790	1.10
1331.9154050	3.04
1332.9919430	0.49
1334.8780520	1.38
1335.9621580	0.23
1339.2543950	1.16
1341.7756350	0.84
1344.4041750	7.03
1345.3747560	2.05
1346.2006840	0.66
1347.1760250	2.67
1347.8616940	1.12
1349.2382810	6.65
1350.0568850	7.27
1351.0764160	0.55
1353.4057620	1.24
1355.0333250	3.01
1355.8540040	8.46
1356.4840090	0.23
1357.3100590	2.07
1358.3470460	8.03
1359.1435550	4.65
1359.8203120	3.62
1360.9035640	3.68
1361.6870120	3.78
1362.4714360	6.73
1364.1618650	4.84
1365.4648440	3.51
1366.9096680	5.76
1367.5906980	1.65
1368.3929440	2.76
1369.3267820	7.28
1370.2358400	7.78
1371.1488040	13.33
1372.3323970	4.80
1374.0718990	4.97
1375.3781740	9.07
1376.1337890	6.05
1377.4733890	5.00
1378.2087400	3.47
1379.1191410	4.66
1380.2523190	18.68
1381.3195800	43.23
1382.2253420	6.76
1383.6925050	7.16
1384.9289550	27.95
1385.8266600	24.02
1386.6516110	10.98
1387.5267330	7.18
1388.2050780	5.18
1389.5245360	6.99
1390.3156740	5.93
1391.3056640	43.40
1392.1948240	22.30
1393.0083010	39.03
1393.8098140	4.58
1394.8822020	31.19
1396.1052250	78.90
1397.2309570	33.60
1398.5627440	28.81
1399.8063960	15.89
1400.6599120	19.15
1401.7299800	28.32
1402.8730470	59.97
1404.0662840	15.23
1405.7049560	73.37
1406.6903080	99.45
1407.6818850	70.67
1409.0034180	65.81
1410.1173100	9.31
1411.8367920	67.16
1412.8345950	36.13
1413.6514890	100.00
1414.3927000	62.13
1415.4176030	0.35
1417.3983150	67.81
1418.2689210	17.08
1418.9903560	14.95
1420.0245360	21.61
1420.8359380	2.66
1421.6629640	0.45
1449.4323730	0.84
1454.1329350	1.78
1456.9556880	0.18
1463.7095950	1.07
1466.2894290	0.31
1468.0533450	1.05
1469.7358400	0.20
1470.4305420	1.17
1472.5603030	0.75
1473.7020260	2.41
1474.7476810	2.20
1478.8209230	2.68
1480.1278080	1.26
1482.2031250	1.89
1483.4783940	1.08
1484.1740720	0.70
1490.2027590	0.65
1491.6123050	3.15
1492.3116460	2.58
1493.2464600	1.07
1494.7202150	2.73
1496.0371090	0.44
1498.3936770	1.50
1499.3812260	3.80
1500.1939700	0.90
1500.8055420	0.64
1502.3270260	0.98
1502.9468990	0.79
1503.7637940	1.78
1504.3873290	1.62
1505.4705810	5.14
1506.6229250	0.71
1507.2977290	0.61
1508.4948730	0.86
1510.0139160	0.88
1510.9707030	0.54
1512.5269780	3.54
1513.2127690	0.24
1514.4447020	2.81
1515.4763180	1.12
1516.5772710	0.84
1517.5822750	0.56
1518.3049320	0.17
1520.0289310	3.24
1521.0679930	9.52
1522.1190190	0.85
1523.1063230	0.87
1523.7084960	0.15
1525.7803960	1.43
1527.0061040	0.92
1528.3620610	0.33
1529.9324950	2.64
1531.5726320	1.30
1532.3709720	2.56
1533.9542240	0.69
1537.3177490	3.68
1538.4730220	0.93
1539.1226810	0.30
1542.0877690	2.39
1544.1414790	1.95
1545.5020750	1.69
1546.7257080	2.44
1548.2987060	1.13
1552.4959720	1.18
1553.2893070	1.65
1554.6712650	4.27
1555.5709230	2.12
1559.2152100	0.46
1561.8377690	0.95
1562.7749020	1.42
1565.0241700	1.86
1567.9117430	1.73
1569.7094730	9.09
1570.9838870	3.79
1572.9649660	0.92
1575.2398680	1.99
1576.2301030	0.81
1577.0845950	0.36
1577.9696040	0.36
1585.7137450	2.21
1586.6418460	2.23
1588.3959960	0.91
1589.7174070	0.61
1594.0621340	0.63
1595.5831300	0.75
1596.2137450	0.20
1599.6292720	1.46
1600.2432860	0.25
1606.6933590	0.93
1607.6511230	0.95
1608.4370120	0.15
1614.3267820	0.95
1619.0806880	0.74
1623.7938230	0.30
1624.8702390	1.47
1627.5784910	1.63
1629.0344240	0.25
1639.2100830	0.95
1640.5145260	1.73
1646.9842530	3.27
1659.9398190	0.46
1662.1672360	0.53
1670.8648680	0.33
1671.7540280	1.68
1680.4844970	0.32
1696.4561770	0.41
1697.8098140	0.15
1703.8001710	0.39
1705.8619380	1.77
1708.1424560	0.49
1709.2558590	1.01
1712.6622310	0.32
1714.9982910	1.54
1719.5716550	0.65
1721.3186040	1.61
1724.3409420	0.17
1727.7565920	2.18
1732.5887450	1.10
1737.1218260	1.50
1742.5173340	0.55
1747.8643800	1.68
1750.7918700	0.79
1754.3477780	0.60
1757.3939210	2.15
1758.2525630	1.29
1759.4538570	0.79
1760.9090580	1.73
1761.9089360	1.42
1762.5238040	1.01
1763.1387940	0.52
1763.8868410	0.51
1766.9520260	1.05
1768.0441890	1.93
1769.0909420	0.97
1772.5222170	1.31
1774.3873290	0.36
1776.0274660	2.19
1777.1956790	1.04
1778.9522710	0.66
1780.7669680	0.49
1782.2062990	0.79
1782.9896240	0.35
1784.0528560	3.16
1785.0318600	0.64
1786.7152100	0.58
1787.8937990	1.42
1789.9359130	0.20
1790.9519040	1.78
1792.4656980	1.58
1793.2156980	0.41
1793.8299560	0.43
1794.9593510	1.07
1796.8680420	1.38
1797.7271730	2.70
1798.3763430	3.04
1803.0202640	1.02
1804.7645260	2.42
1805.5804440	0.51
1807.7624510	1.62
1808.7336430	5.04
1809.5466310	1.31
1812.4349370	3.99
1813.6131590	3.37
1814.6226810	3.10
1818.0203860	1.65
1819.9769290	5.98
1821.5710450	0.32
1823.4700930	0.36
1824.4259030	0.70
1826.7650150	0.48
1829.4099120	4.48
1830.8140870	5.21
1831.6809080	0.66
1835.7777100	3.49
1837.1160890	0.95
1838.6961670	0.26
1843.6744380	0.63
1844.5721440	0.52
1845.5543210	0.27
1848.4732670	0.15
1854.6214600	1.00
1856.8812260	0.48
1857.8712160	1.49
1861.3923340	0.81
1862.1737060	0.56
1863.8825680	0.91
1866.1468510	1.21
1869.8148190	0.40
1878.3609620	0.50
1879.2757570	1.35
1880.5941160	1.02
1886.3723140	0.30
1895.0422360	0.57
1896.8809810	0.72
1902.3350830	0.53
1904.3531490	1.23
1905.1378170	1.47
1905.8020020	0.93
1906.4188230	1.26
1907.5339360	0.48
1910.7850340	0.69
1914.0251460	0.30
1918.4161380	3.11
1920.1243900	0.95
1920.9211430	2.21
1922.6442870	1.25
1926.3621830	0.34
1927.4439700	2.58
1928.6099850	0.28
1931.8068850	0.67
1934.0352780	1.11
1935.2926030	0.61
1936.8254390	0.83
1937.5311280	1.97
1938.2335210	0.67
1938.8723140	1.00
1939.5676270	0.47
1940.4547120	1.18
1941.6361080	1.11
1942.9875490	0.23
1944.0343020	0.75
1944.7341310	1.48
1945.5012210	0.32
1946.3522950	0.40
1947.1197510	0.61
1948.9246830	0.97
1950.7053220	0.69
1951.3057860	0.38
1952.3096920	6.00
1953.7677000	2.64
1955.4328610	0.49
1956.1701660	63.27
1958.5393070	1.33
1959.8591310	2.83
1960.5305180	1.08
1962.4895020	0.42
1963.3494870	1.21
1964.0147710	1.51
1966.1927490	3.23
1967.7545170	1.96
1968.4436040	1.70
1969.3372800	2.02
1975.7269290	4.45
1976.7443850	1.82
1977.5455320	2.64
1978.2091060	1.16
1979.1131590	1.03
1979.8347170	0.33
1981.0687260	2.17
1982.0418700	1.08
1982.9074710	0.28
1984.4114990	3.65
1985.0299070	1.14
1986.9039310	3.53
1991.4281010	1.69
1992.4918210	1.43
1993.1798100	0.35
1994.5838620	1.08
1995.1892090	1.87
1996.1737060	0.36
1999.0179440	2.48
1999.9719240	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0023
Annotation	SC-58125
Peak:m/z	Relative Intensity
129.0616150	0.15
131.0245972	0.08
165.1834717	0.04
172.9894409	1.87
190.9960327	100.00
213.0329132	0.10
227.0107574	0.03
255.2806091	0.02
273.1430054	0.15
288.9241943	0.02
299.0821533	0.12
306.4473572	0.03
317.0002747	1.19
331.1534424	0.02
341.2502136	0.05
359.0316162	0.04
384.9333496	0.36
403.1112671	1.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.12
Annotation	L-Arginine
Peak:m/z	Relative Intensity
59.9076729	27.28
69.9511032	2.69
71.9697037	1.37
83.9146729	2.24
96.9740906	0.20
111.8793182	4.69
113.0167999	0.95
114.0745544	3.08
115.0386200	2.80
115.9355316	41.61
129.9915466	55.80
130.9080353	0.42
133.1186676	0.72
140.0190277	3.22
141.0983429	0.49
157.0301208	82.35
158.0149689	100.00
158.7684174	0.13
166.1534729	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	722.8
Annotation	Unknow
Peak:m/z	Relative Intensity
231.9363708	0.79
290.8880920	0.81
388.9114990	0.42
399.4395142	0.73
407.0921631	1.47
419.2263184	0.58
458.2480469	1.32
476.1157227	0.73
478.0233765	0.40
496.0717773	1.65
510.6700439	1.40
519.2053223	5.28
522.8927612	1.37
546.9875488	1.58
554.8342896	9.41
566.8838501	1.73
594.0230713	2.14
610.2843018	3.55
611.2791138	1.79
636.5621338	5.24
637.2244873	1.55
638.5957031	100.00
676.0768433	0.90
678.9631958	9.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.0040131	0.69
58.9343948	5.77
60.8783150	0.77
69.0846863	0.46
70.8635864	5.15
71.6822968	0.44
72.9428863	1.53
74.9526825	0.21
80.9691315	2.59
82.9687195	0.90
84.9412842	93.12
87.0035706	20.71
92.9284210	51.15
95.9467011	1.63
96.9092255	0.55
98.9536438	3.41
101.0803680	0.34
109.0124054	25.37
111.0114746	43.20
112.9862671	1.49
115.0252380	2.36
127.0438538	99.26
129.1427765	0.53
130.9363251	0.34
136.9320068	2.27
143.0775299	1.15
144.4732513	1.31
145.0824585	1.74
146.9087524	3.89
148.0655518	0.23
148.9022675	0.25
152.9824982	3.70
155.1114197	12.32
163.0731201	0.28
171.0204620	30.35
173.0660553	100.00
176.0194550	0.83
190.9878998	1.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0603943	0.18
109.1277237	0.61
110.8848953	1.21
116.8695221	0.16
121.0589676	3.45
123.166954	0.71
124.9672928	0.18
130.9433899	0.88
135.1087646	2.15
137.1440277	0.36
140.445755	0.31
142.1031799	0.40
143.1832275	0.51
145.08078	0.33
147.0437927	1.56
149.0211487	1.11
151.1168213	0.47
153.0340271	0.15
157.0741882	1.88
159.1000671	0.51
160.9515381	2.94
163.1490479	2.17
165.1416321	0.37
169.0584412	0.84
171.1811981	0.92
173.071228	0.80
175.2533264	0.38
177.2162476	0.46
179.1701355	0.23
181.0225525	0.15
182.0263824	0.21
183.1042328	0.58
186.3313141	0.16
187.1004944	0.21
189.1623535	0.30
191.0858307	1.72
193.1878052	0.43
195.0074463	0.39
197.0346375	1.33
198.0190735	0.37
200.8502045	0.99
203.2369385	1.48
205.216507	0.12
207.1530609	0.22
209.1873474	0.39
211.1327515	0.96
215.1899719	0.63
217.0522766	1.12
221.1500549	1.02
223.291626	0.71
224.2790833	0.66
225.2214355	1.01
227.164856	1.05
229.166687	0.31
231.1985779	2.23
232.6676331	0.19
237.1372681	0.11
239.4217529	0.26
243.1073608	0.10
245.2049255	0.78
247.1943359	5.15
248.9879761	0.29
251.1991882	0.25
253.1630554	0.92
254.7302246	0.31
256.6950378	0.29
259.4116821	1.23
263.3573608	0.34
265.2919312	0.18
267.2686768	0.37
269.4061279	0.40
271.0992432	0.32
275.3805542	0.75
277.1740112	1.15
278.008728	0.20
279.4070435	0.69
280.24823	0.30
281.2467346	1.52
282.6875	0.31
283.291748	2.76
285.1641541	0.41
287.9241333	0.10
294.324585	0.32
295.4240723	1.80
297.5605774	0.25
298.5365906	0.87
299.5243835	2.27
300.1794128	0.06
303.3465881	0.16
305.2933044	5.73
310.0539246	0.30
313.2908936	1.82
323.242218	100.00
324.1916809	1.41
332.0115662	1.38
336.0299377	0.26
341.4321594	1.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	898.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
314.0816650	0.10
342.2794189	0.44
354.4004517	0.09
377.2213135	0.27
391.6038818	0.48
453.3356934	0.10
462.4083862	0.64
510.1411743	0.17
510.8214111	0.28
519.8200684	0.26
525.7891235	0.67
542.4807129	0.16
573.5122681	0.43
574.5430298	0.35
591.8113403	0.50
592.5586548	0.21
604.5225220	0.26
622.0626831	0.94
623.1749878	0.42
626.5050659	0.55
638.1668701	0.26
643.3452148	1.37
649.2776489	0.19
665.3813477	0.70
672.3898926	0.38
690.4379883	0.68
691.7504272	0.31
701.9473877	0.67
708.1511841	1.10
730.6633911	0.26
748.2868042	0.50
778.1255493	0.43
800.6584473	0.16
804.6300049	2.75
805.7539062	0.30
810.0781860	0.17
813.4580688	0.27
822.1354980	1.05
831.8289795	5.01
837.8762207	0.58
838.4839478	0.33
852.3530884	0.20
855.3675537	0.16
857.5064087	1.12
863.0962524	0.66
863.9978638	1.18
867.2359619	1.10
872.1701050	10.50
873.1518555	0.51
875.7318726	2.24
876.6572266	0.31
880.4722900	1.15
881.2117310	0.98
886.5696411	0.59
909.6499634	1.31
914.5972900	1.73
915.4145508	0.94
916.5206909	0.10
927.7317505	0.37
932.7070923	8.55
933.7155151	1.16
936.8947754	0.72
944.9204712	2.39
945.5383911	1.48
975.1753540	0.23
994.4845581	1.03
1002.0094600	0.58
1002.9104000	0.33
1007.2257690	0.13
1019.6006470	0.85
1025.8127440	0.37
1031.7248540	1.09
1042.8228760	0.13
1045.1960450	0.17
1051.8605960	5.79
1052.7503660	0.50
1059.7468260	1.54
1076.5723880	0.35
1078.3969730	1.10
1087.2019040	0.39
1088.8116460	0.74
1107.7592770	0.08
1116.5119630	0.10
1144.0513920	0.25
1151.5207520	0.51
1152.5775150	1.41
1197.8188480	0.47
1213.8298340	0.43
1259.7242430	0.29
1284.7191160	0.71
1287.7999270	0.40
1302.5406490	1.31
1304.1082760	0.27
1306.4185790	0.18
1332.8800050	0.09
1391.8574220	0.10
1411.9451900	0.25
1431.9865720	0.87
1433.2155760	0.24
1468.3288570	0.33
1543.9449460	0.16
1561.0423580	0.32
1577.2377930	0.61
1611.5109860	0.17
1636.3621830	0.14
1696.0812990	0.18
1700.8182370	0.13
1731.3519290	0.15
1751.5692140	0.22
1761.4689940	1.48
1763.1766360	0.46
1763.9910890	0.39
1776.4533690	1.21
1779.1223140	0.70
1781.3272710	0.28
1783.7760010	2.99
1787.0899660	0.39
1788.1143800	0.09
1792.7435300	0.13
1795.5352780	0.20
1805.3537600	0.55
1808.3742680	0.20
1810.6291500	0.16
1813.8914790	0.90
1817.4548340	1.70
1825.0290530	0.13
1826.2751460	0.31
1840.0050050	0.18
1842.7061770	0.58
1844.6431880	0.50
1849.1545410	0.29
1856.1683350	0.17
1864.1472170	0.12
1865.5767820	1.29
1870.4476320	0.15
1874.2126460	8.24
1875.8450930	8.79
1876.8487550	0.43
1879.0339360	0.56
1884.9537350	0.59
1887.8992920	0.12
1890.6784670	0.10
1901.2282710	1.24
1904.4704590	1.95
1908.9862060	1.17
1910.8812260	0.43
1914.4561770	0.42
1915.1929930	2.07
1918.6750490	0.34
1920.8033450	0.72
1922.2365720	4.00
1923.9039310	0.10
1925.7786870	6.54
1928.4193120	2.50
1930.2374270	0.29
1931.3519290	1.35
1933.6348880	1.86
1934.6614990	0.23
1936.7049560	1.93
1938.4787600	0.99
1940.3226320	0.33
1942.3029790	0.47
1946.3541260	1.75
1947.3619380	0.48
1949.3272710	1.97
1951.3586430	0.61
1954.2415770	1.84
1955.2854000	0.94
1955.9425050	0.13
1957.6424560	1.66
1958.5350340	0.27
1959.4468990	0.72
1960.2557370	0.79
1962.1871340	2.58
1966.3365480	2.17
1968.8416750	3.53
1970.3116460	7.49
1971.3094480	1.03
1972.5269780	0.24
1973.1610110	0.23
1974.4548340	0.18
1976.4149170	3.14
1978.0679930	0.57
1979.2738040	0.37
1980.1246340	1.07
1981.9217530	100.00
1983.2015380	0.75
1986.1330570	0.42
1987.6878660	1.83
1988.9251710	18.70
1990.7794190	2.74
1992.1145020	3.26
1993.5114750	0.17
1994.5985110	2.00
1995.2165530	1.07
1997.4964600	18.46
1998.4859620	4.79
1999.8394780	3.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	451.122
Annotation	Unknow
Peak:m/z	Relative Intensity
179.1084290	0.08
235.2548523	0.27
268.5043640	0.03
323.3291016	0.06
397.1194763	0.08
415.2608948	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	617.9
Annotation	Unknow
Peak:m/z	Relative Intensity
182.8647308	0.02
199.1004791	0.02
217.2781525	0.06
229.1760864	0.02
230.1326599	0.03
256.1384888	0.04
272.9995117	5.52
274.0444946	2.95
275.1468506	3.75
276.0697021	0.58
340.3694458	0.02
387.0086060	9.21
388.0562134	7.60
389.0336914	15.25
390.1095581	2.37
471.1087036	0.02
484.1325073	0.04
501.0196533	20.86
502.2511597	34.23
502.9811401	100.00
504.0067749	31.60
515.1453857	0.05
526.8978882	0.06
528.1251831	0.03
571.0605469	0.11
571.9932251	0.22
573.0861206	0.07
574.0245972	0.15
574.9207764	0.05
584.8671265	0.03
585.5115356	0.05
586.2222290	0.06
588.5531616	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	380.77
Annotation	Unknow
Peak:m/z	Relative Intensity
141.3802490	0.08
176.8470154	0.12
193.2643738	0.13
208.9996948	1.52
210.1944580	1.84
211.0472870	2.50
212.8410492	9.77
248.1485291	0.14
251.0731201	0.23
291.3056946	0.10
294.4764404	0.78
295.2272339	0.40
296.7483521	100.00
297.3483887	0.32
333.0145264	0.14
334.8054504	39.41
353.0792542	0.05
362.2493591	1.69
363.2802734	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.1379
Annotation	alpha-Sorinin
Peak:m/z	Relative Intensity
161.0056763	0.06
179.1397247	0.33
195.0992584	0.02
197.0822449	0.04
201.3232422	0.01
214.9637451	0.04
233.1218567	0.27
239.3399048	0.02
244.7872467	0.03
250.4878235	0.03
264.1777344	0.01
269.2525024	0.01
274.2832642	0.03
275.2364502	0.01
282.0344238	0.18
289.6316528	0.06
293.4081421	0.02
305.0750732	0.03
323.2991333	1.87
341.2659302	0.40
359.1893921	1.30
377.2839966	0.45
383.0861206	0.26
384.8408813	0.01
403.2476807	0.03
412.9160767	0.02
419.3677979	0.04
424.7120972	0.01
439.6622314	0.06
440.6896973	0.04
441.3252563	0.06
443.0762329	0.10
462.4905396	0.02
464.4221191	0.02
503.2793579	100.00
521.1974487	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	345.119
Annotation	3,4,5-Trimethoxyphenyl glucoside
Peak:m/z	Relative Intensity
106.8448792	0.08
113.0185089	0.06
118.8550339	0.06
124.0369339	0.08
141.0984497	0.13
161.1037292	0.38
165.1257935	0.22
179.0032196	0.60
181.0282593	0.13
182.1429138	0.12
185.2784119	0.05
199.3111877	0.07
211.1349182	0.16
215.6123047	0.15
221.2207947	0.19
224.8973389	0.34
239.2256165	0.17
240.9708862	0.13
255.1835022	0.10
258.1213989	0.12
271.0523987	0.16
273.1859436	0.15
283.5717773	0.09
285.0415039	0.11
287.2419128	0.34
299.1416016	100.00
301.0445862	0.40
303.2813110	0.20
309.3114014	0.14
315.0616455	0.52
319.0445251	0.06
324.3049927	0.19
325.2097168	0.35
326.1943970	0.34
327.2153320	1.24
336.4039307	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
82.69458008	1.64
84.58584595	0.52
88.88259888	1.60
93.03182983	6.26
95.02719879	5.80
96.03514862	0.82
97.04795837	2.06
100.9893188	11.80
107.1983337	1.35
109.086792	15.93
111.1572266	2.48
115.1232758	2.65
120.9690857	5.75
125.1058044	1.52
126.9485855	2.36
129.4430084	2.85
130.790802	2.04
132.959198	4.40
134.9366455	6.70
137.0379944	2.17
138.9130249	1.31
143.0990295	1.36
145.2556458	2.50
147.0233459	1.49
151.1781311	1.88
154.951889	0.64
156.9980774	2.79
163.3424225	1.66
165.2612152	7.45
168.8944092	3.75
170.9721985	0.89
177.0714417	17.77
179.093399	2.56
181.0600891	3.11
182.8478851	2.23
195.2958984	0.80
196.9828186	1.26
205.2311096	1.89
207.2332458	7.91
209.0868835	3.67
213.0899048	2.50
218.9489746	1.07
221.1703491	2.12
223.3062439	0.65
225.1358643	17.36
227.3612061	7.29
237.0346069	2.82
239.3380737	8.81
241.2540894	0.89
247.2440491	45.73
253.2666931	0.98
263.3082275	0.70
265.2442627	100.00
266.1201782	2.27
274.3952942	2.46
283.3735962	3.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1417.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
417.3172607	0.11
432.0929565	0.13
506.6390076	0.22
529.2645874	0.25
556.6430664	0.20
558.5043945	0.24
560.3051758	1.59
561.3857422	0.65
562.0877686	0.08
564.3232422	0.18
575.2991943	0.18
576.7316284	0.12
578.4893188	2.89
579.5639648	0.54
592.3686523	0.08
594.3721313	0.85
599.1846924	0.56
610.4772949	0.30
611.3892822	0.57
612.4303589	1.05
613.4222412	0.51
619.6624756	0.15
626.4455566	0.07
627.6555176	0.13
628.5377197	0.20
635.6387939	0.19
641.4979248	0.17
647.3388062	0.28
654.5410767	0.25
659.5374756	0.11
660.2045898	0.11
661.9384766	0.20
663.0029297	0.18
678.5295410	0.18
691.5641479	0.11
692.1834106	0.12
696.4925537	0.11
699.3299561	0.44
704.1201172	0.64
712.2554932	0.16
716.0644531	0.30
725.0203247	0.28
726.5697021	1.11
727.4287720	0.29
746.5745850	0.10
753.3647461	0.23
758.5391846	0.31
760.4523315	0.06
770.3962402	0.71
787.2352905	0.07
796.3767090	0.11
805.3041992	0.27
814.3229980	0.19
821.6132812	0.22
831.0773926	0.27
833.5485840	0.06
838.8929443	0.24
847.3530273	0.23
864.8112793	0.20
866.5627441	0.18
892.1132812	0.27
898.8332520	0.24
903.4136963	0.05
908.4871826	0.32
911.9340820	0.21
912.7528076	0.07
914.5577393	1.35
916.0949707	0.99
916.9387207	0.87
918.3514404	0.14
925.4211426	0.48
928.9938965	1.38
930.0219727	1.86
931.1000977	0.87
931.9619141	0.31
932.6398926	0.13
934.4215088	1.58
935.9672852	1.16
936.8756104	0.39
938.6214600	0.48
939.5108643	0.25
940.4952393	0.45
942.3558350	0.26
943.7457275	0.75
944.3841553	6.80
945.1375732	1.78
945.9980469	0.18
948.6140137	1.15
949.2958984	1.83
950.9959717	2.34
951.6102295	2.01
952.2404785	0.34
953.4669189	1.71
954.1546631	0.10
954.7722168	0.59
957.3771973	0.62
959.9456787	0.60
960.7900391	2.25
961.7832031	0.44
962.4251709	0.09
964.1245117	0.48
965.1240234	2.76
966.4456787	17.34
967.3355713	3.99
968.6384277	0.47
969.3320312	0.97
970.0991211	0.30
972.8466797	0.14
975.5350342	0.14
978.9033203	0.21
980.9125977	0.72
982.6715088	2.43
985.1593018	0.14
998.1766357	0.08
999.4511719	0.36
1003.8807370	0.21
1009.0688480	0.18
1011.3222660	0.23
1016.6718750	1.07
1019.4809570	0.10
1024.9284670	0.33
1026.5517580	0.07
1027.6118160	0.10
1033.6373290	0.21
1036.4116210	0.56
1038.5211180	0.13
1041.4075930	0.36
1045.7812500	0.08
1048.8809810	0.04
1059.3868410	0.22
1062.3853760	0.32
1063.1796880	0.38
1064.7275390	0.17
1065.6335450	0.13
1069.1926270	0.18
1071.5054930	0.19
1072.7640380	0.28
1074.0445560	1.02
1075.8739010	0.30
1076.6972660	0.15
1078.0239260	0.07
1078.7893070	0.24
1079.5163570	0.95
1080.5506590	2.16
1081.7685550	0.12
1082.5007320	1.03
1084.1335450	0.15
1086.0187990	0.90
1087.3698730	0.06
1089.8586430	3.21
1090.7116700	1.06
1092.0974120	1.14
1093.5084230	0.21
1094.4155270	0.23
1095.5698240	1.20
1096.5975340	0.58
1098.0693360	0.16
1098.7052000	0.16
1100.4536130	0.18
1101.1691890	0.73
1102.2514650	1.21
1103.4660640	0.67
1104.5889890	0.25
1105.4979250	0.58
1106.4272460	3.18
1107.6268310	0.58
1108.7187500	0.19
1109.3840330	0.10
1110.2373050	0.96
1111.5454100	6.20
1112.6704100	1.45
1113.6652830	0.24
1114.9311520	1.44
1115.9045410	0.57
1116.6271970	0.22
1118.2170410	1.19
1118.9394530	1.19
1120.4758300	0.64
1121.5659180	3.61
1122.6624760	1.81
1123.5203860	3.38
1124.5869140	1.78
1126.0440670	1.36
1126.9992680	0.60
1127.6083980	0.94
1128.2272950	5.46
1129.5716550	1.78
1130.3671880	0.53
1130.9793700	1.29
1132.3197020	1.16
1133.5786130	2.05
1134.8928220	0.99
1136.0109860	3.24
1137.4332280	0.28
1139.6508790	0.71
1141.4215090	1.11
1142.4464110	1.67
1143.4157710	3.67
1144.7535400	5.84
1145.9866940	0.97
1147.6271970	0.28
1149.3725590	0.42
1150.9311520	0.16
1152.2528080	0.58
1153.1425780	1.66
1153.9302980	0.81
1155.3005370	2.04
1156.2850340	1.56
1157.8853760	1.48
1158.6801760	0.53
1159.8480220	1.28
1160.7232670	1.15
1161.7941890	0.37
1164.5517580	0.32
1165.8502200	0.42
1167.7490230	1.00
1169.9029540	0.06
1171.4102780	0.65
1173.6463620	0.69
1174.8896480	0.42
1175.8864750	0.42
1176.5413820	0.19
1177.7530520	0.33
1178.6606450	0.33
1181.2397460	1.44
1182.3684080	0.18
1183.3520510	0.24
1184.2167970	0.43
1185.8126220	0.53
1186.4346920	0.33
1187.5527340	0.60
1188.6247560	1.02
1189.4874270	0.16
1192.3846440	1.28
1194.6369630	0.10
1196.4411620	0.42
1197.4715580	1.09
1198.8327640	0.63
1200.6956790	1.04
1203.3094480	0.51
1204.6137700	0.40
1205.5344240	1.76
1209.7832030	0.21
1212.8310550	0.20
1214.6372070	0.22
1215.3525390	0.15
1216.6545410	0.12
1217.4708250	0.17
1218.2720950	0.94
1219.9890140	0.60
1220.7629390	0.76
1221.7258300	0.48
1225.6928710	0.19
1226.4265140	0.36
1227.7287600	0.20
1228.6579590	0.06
1230.7016600	0.10
1231.6102290	0.56
1232.4741210	0.64
1235.1291500	1.24
1238.7617190	1.99
1240.1092530	1.26
1242.8374020	0.53
1243.7138670	0.15
1245.3858640	0.32
1247.4168700	2.20
1248.3537600	1.76
1249.7154540	0.48
1251.8652340	0.33
1253.4914550	1.70
1254.4146730	1.15
1256.1442870	0.86
1258.2130130	3.49
1259.3630370	1.33
1261.8839110	0.49
1262.7346190	0.10
1264.1926270	2.74
1265.1640620	1.28
1265.9577640	0.09
1266.8200680	0.74
1267.8010250	1.67
1268.6823730	1.61
1269.4384770	1.28
1270.4183350	0.09
1271.6657710	0.64
1272.6577150	1.30
1273.6837160	3.56
1274.8089600	1.16
1275.7176510	3.29
1276.5148930	0.91
1277.7366940	2.36
1278.5649410	2.35
1279.5224610	5.11
1282.7222900	0.09
1283.8281250	0.36
1285.1434330	2.03
1285.7443850	0.70
1286.5312500	0.86
1287.6013180	0.98
1289.6806640	5.15
1290.7720950	2.43
1291.9145510	0.47
1293.2047120	0.21
1294.8398440	3.83
1295.9688720	4.10
1297.2506100	1.03
1297.9377440	0.25
1298.8116460	1.84
1300.3549800	1.73
1301.3311770	6.11
1302.2233890	0.87
1303.3184810	0.11
1306.2687990	0.93
1307.4088130	3.62
1308.8114010	0.89
1309.9161380	0.24
1311.3479000	0.64
1312.5991210	5.06
1313.5671390	3.28
1316.2443850	1.95
1317.0332030	0.48
1317.8371580	0.11
1318.6264650	0.59
1319.6038820	0.25
1320.8475340	0.56
1322.3288570	0.49
1323.6492920	1.85
1324.4367680	1.08
1325.2380370	2.19
1326.2424320	1.05
1327.7592770	2.20
1328.5456540	0.19
1329.3925780	1.81
1330.1733400	0.73
1331.5295410	1.49
1332.6457520	2.63
1333.5253910	1.59
1334.2625730	0.45
1334.9696040	0.46
1336.5749510	2.64
1337.7978520	3.20
1338.4821780	1.03
1339.5256350	2.28
1340.1856690	1.64
1341.3269040	1.80
1342.4528810	4.54
1343.2362060	5.33
1344.3466800	5.96
1345.4509280	2.15
1346.4218750	1.95
1347.0812990	3.62
1348.0517580	5.12
1349.1236570	5.30
1350.4248050	6.04
1351.7058110	3.73
1352.7441410	4.05
1353.5421140	13.07
1354.3186040	14.28
1355.2072750	3.74
1356.2751460	1.96
1357.2272950	9.36
1358.3244630	11.09
1359.0939940	4.91
1360.0190430	9.71
1361.1669920	6.84
1361.8936770	2.09
1362.5081790	6.39
1363.2348630	6.98
1363.8691410	3.02
1364.8117680	25.98
1365.6334230	15.07
1366.6774900	3.15
1367.4659420	6.66
1368.3140870	27.18
1369.3170170	12.69
1370.1315920	11.77
1371.0599370	12.07
1372.2037350	9.97
1373.4555660	11.57
1374.3359380	18.94
1375.1206050	34.03
1376.0926510	33.14
1377.0991210	3.40
1378.5477290	35.03
1379.7360840	100.00
1380.7419430	8.92
1381.3906250	18.10
1382.3071290	30.12
1383.3354490	9.41
1384.0571290	12.81
1384.9639890	27.58
1385.5856930	47.77
1386.4425050	58.05
1387.6416020	10.27
1389.6193850	67.65
1390.6367190	77.60
1391.6284180	37.41
1392.6314700	35.71
1393.7517090	4.88
1395.5595700	67.25
1396.5079350	45.58
1397.2642820	60.62
1398.1184080	15.34
1398.7674560	0.78
1401.0031740	48.09
1402.0156250	2.53
1403.7004390	13.65
1420.9527590	0.25
1422.2642820	0.13
1423.9649660	0.53
1424.7235110	0.38
1426.6517330	0.32
1428.6204830	0.43
1431.9246830	0.07
1432.9385990	0.47
1435.1744380	0.07
1436.4276120	1.72
1437.0798340	0.44
1438.1594240	1.24
1439.1557620	0.89
1441.4713130	0.13
1442.5891110	0.55
1443.9406740	1.28
1445.1126710	0.26
1446.1275630	0.44
1448.1402590	0.11
1449.4382320	0.48
1450.3719480	0.67
1451.2784420	0.64
1452.5958250	1.76
1453.5128170	1.65
1454.2503660	0.76
1455.0960690	0.39
1458.1044920	3.08
1459.1734620	3.67
1460.1367190	1.11
1460.9421390	1.43
1461.7073970	0.78
1463.0582280	0.96
1463.7109380	0.47
1465.6135250	0.44
1467.1058350	0.51
1468.6439210	0.08
1470.1112060	1.02
1470.7825930	0.83
1471.5660400	0.23
1474.2579350	0.80
1475.1027830	2.17
1476.0443120	5.92
1476.9899900	1.62
1477.7271730	0.10
1479.1778560	1.33
1479.9635010	0.58
1482.8900150	0.07
1484.0541990	0.81
1485.2174070	2.87
1486.3177490	1.53
1487.1236570	0.13
1487.8925780	0.20
1488.5524900	0.08
1491.1008300	1.47
1492.0864260	3.53
1493.1273190	1.98
1494.7054440	1.38
1495.3725590	0.28
1497.7869870	0.07
1499.2106930	0.75
1500.4547120	1.45
1501.7374270	0.94
1502.3973390	1.47
1503.5484620	0.43
1504.1796880	0.08
1505.5670170	0.15
1507.0507810	4.54
1508.0068360	7.76
1508.7698970	0.27
1509.6673580	0.47
1510.3850100	0.35
1512.3027340	0.15
1513.0660400	0.12
1515.8332520	1.44
1516.7957760	0.35
1517.8479000	0.46
1518.8713380	0.82
1519.7506100	0.13
1522.2034910	0.68
1523.5349120	6.29
1524.5997310	8.85
1525.3853760	2.63
1526.1397710	0.35
1527.1823730	0.27
1528.3697510	0.33
1530.1835940	0.72
1531.3182370	0.54
1532.2327880	0.42
1533.0736080	0.28
1534.4166260	0.55
1537.6481930	0.36
1540.1429440	5.82
1540.9151610	0.71
1541.6177980	1.18
1545.0650630	0.63
1549.8935550	0.39
1553.9361570	0.18
1554.5581050	0.34
1556.3480220	1.36
1557.0340580	0.49
1558.8101810	0.65
1565.3345950	0.11
1571.4997560	0.15
1577.1791990	0.70
1580.2524410	0.13
1589.6058350	0.16
1591.7327880	0.40
1595.3293460	0.37
1599.9271240	0.58
1604.8068850	0.23
1607.2586670	0.15
1619.9920650	0.50
1620.8547360	0.59
1625.8753660	0.34
1644.7528080	0.21
1654.2766110	0.29
1655.5826420	0.25
1661.6901860	0.07
1667.9320070	0.59
1670.5294190	0.29
1676.9735110	0.30
1678.2552490	0.65
1681.4788820	0.33
1684.4940190	0.25
1687.0373540	0.21
1688.1280520	0.36
1692.6666260	0.79
1693.9525150	0.14
1695.9683840	0.21
1700.9508060	0.85
1703.6553960	0.42
1707.3493650	0.32
1708.2952880	0.30
1711.3768310	0.08
1712.5805660	0.15
1713.4693600	0.54
1714.6528320	0.40
1715.4866940	0.78
1716.5350340	0.72
1717.4698490	0.75
1718.3540040	0.90
1719.7744140	0.72
1720.7218020	0.47
1721.6029050	0.11
1722.4346920	0.67
1723.9599610	0.17
1724.6921390	0.26
1725.8731690	0.38
1726.8824460	0.20
1727.5928960	0.22
1728.8894040	0.74
1729.7142330	0.09
1731.3238530	0.32
1733.0870360	2.06
1734.5994870	1.25
1735.7645260	0.20
1737.2916260	0.31
1739.3297120	0.16
1740.4832760	1.29
1741.4398190	0.08
1742.2664790	0.33
1744.6192630	0.59
1745.6765140	1.20
1746.9991460	0.22
1747.9378660	1.46
1748.8536380	0.46
1749.6412350	1.47
1750.6604000	2.88
1751.3221440	2.59
1752.4791260	0.61
1753.5877690	0.75
1755.7370610	1.68
1756.4849850	1.15
1757.3664550	1.61
1758.2698970	2.91
1758.8986820	0.88
1761.2674560	0.06
1762.7751460	2.30
1764.1417240	2.80
1765.0041500	1.06
1765.6560060	1.39
1766.9893800	4.33
1767.9747310	0.74
1769.8074950	0.83
1770.5905760	0.36
1771.4945070	3.02
1772.4627690	5.37
1773.4357910	2.91
1774.1671140	2.57
1775.0627440	0.83
1776.0108640	0.32
1776.8052980	0.39
1777.6719970	0.94
1779.1666260	5.93
1780.1032710	1.80
1780.9981690	1.89
1782.0563960	1.56
1783.5360110	4.07
1784.5998540	1.97
1786.0047610	0.73
1787.3044430	3.14
1788.1765140	4.61
1789.1217040	6.01
1790.1755370	4.50
1790.9904790	1.44
1792.8199460	0.76
1793.5985110	0.18
1794.2033690	0.63
1795.4151610	2.06
1796.2203370	0.53
1797.3282470	1.30
1798.1458740	0.52
1799.1810300	4.02
1800.0743410	0.88
1803.1262210	0.53
1804.2552490	2.75
1805.1271970	5.19
1805.8308110	8.82
1806.8986820	4.47
1807.9416500	0.82
1809.0155030	0.68
1812.7550050	0.29
1815.2448730	0.65
1815.9426270	0.06
1816.5905760	0.10
1818.8504640	0.47
1820.9075930	3.30
1821.6330570	1.37
1826.7113040	0.37
1827.8986820	0.26
1829.7862550	0.77
1831.4136960	0.12
1832.8983150	0.91
1838.1198730	0.10
1838.9022220	0.18
1841.3737790	0.40
1845.3586430	0.25
1846.2076420	0.18
1847.9366460	0.18
1848.9049070	0.35
1852.7071530	0.23
1854.4346920	0.07
1855.1701660	0.38
1856.3970950	1.44
1857.5627440	0.71
1861.5889890	0.19
1862.2196040	0.24
1863.1903080	1.35
1864.0631100	0.61
1865.2711180	1.54
1866.7135010	0.46
1869.2325440	0.44
1870.7613530	0.13
1871.4781490	0.45
1873.0783690	0.09
1877.4763180	0.13
1879.2042240	0.34
1880.6063230	0.77
1882.0054930	0.27
1884.0861820	0.14
1884.7746580	0.42
1885.7355960	1.12
1886.4805910	0.99
1887.2912600	0.52
1888.1939700	1.15
1888.9859620	0.71
1889.9410400	1.25
1890.8264160	0.91
1891.4348140	0.06
1893.3067630	0.27
1893.9534910	0.27
1895.4764400	0.25
1897.3308110	0.50
1898.3586430	1.09
1899.1268310	0.96
1899.8995360	0.31
1900.9766850	0.70
1902.3177490	2.61
1903.0803220	0.50
1904.5330810	1.21
1905.9874270	0.99
1907.0928960	0.85
1907.8825680	1.64
1909.8216550	1.55
1910.8314210	1.91
1911.6719970	0.65
1912.6789550	0.15
1913.8101810	0.24
1915.1058350	1.72
1916.1164550	0.13
1917.2681880	1.62
1918.6242680	1.18
1919.6839600	2.41
1920.9737550	1.81
1922.5120850	0.68
1923.3526610	0.19
1925.4078370	0.59
1926.2325440	0.49
1926.9283450	0.68
1927.7447510	1.01
1929.3568120	0.18
1931.0728760	1.33
1931.8132320	1.01
1932.9085690	5.01
1934.0052490	9.71
1934.9797360	4.37
1935.8537600	4.20
1936.7296140	1.51
1937.7037350	0.56
1942.1517330	0.81
1943.7130130	0.58
1944.4888920	0.36
1946.6081540	0.23
1951.0140380	2.20
1952.1058350	1.50
1953.7424320	0.67
1958.7823490	0.40
1960.1265870	2.70
1960.8839110	0.25
1964.9949950	1.39
1965.9490970	2.08
1967.0109860	1.30
1967.8492430	0.19
1968.8751220	0.64
1969.7707520	0.77
1971.3077390	0.17
1976.3111570	0.38
1977.1837160	0.19
1978.2730710	0.50
1985.1051030	0.87
1988.9647220	0.09
1991.5417480	0.27
1992.7742920	0.71
1993.9147950	0.19
1997.6843260	0.11
1998.9470210	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9003143	0.04
130.9435120	0.04
134.0504913	0.50
138.9762726	0.03
149.1883850	0.25
152.0731964	0.06
157.1249695	0.08
159.9243011	0.16
161.0085449	0.39
163.0416107	0.11
166.9057770	0.27
175.0465698	0.71
177.9659729	0.08
179.2898560	0.06
193.0889587	6.18
205.2341766	0.10
206.9942932	0.16
213.0552826	0.10
222.8685150	0.09
224.2630157	0.06
231.0803986	0.04
235.1646118	0.31
240.1184692	0.18
245.0411072	0.04
249.1784363	3.77
250.9678955	0.03
252.3142700	0.16
253.2679443	0.82
267.1419067	100.00
270.8099060	0.03
275.1315002	0.70
279.0263367	0.04
281.0562439	1.02
291.1486511	0.09
294.8739014	0.11
299.2991943	0.08
305.0961914	0.03
312.2620239	0.06
313.4815063	0.05
323.1256714	0.13
327.2044983	0.39
335.1299133	0.24
337.2980957	0.06
341.1362305	0.03
347.0963135	0.11
349.3832703	0.03
353.2625122	0.07
367.4064636	0.40
371.5099182	0.08
375.4662170	0.12
381.2600098	0.58
383.2624817	0.16
393.1397400	0.06
396.8433838	0.28
399.1211853	0.64
399.9739075	0.05
405.3060303	0.13
407.1416931	1.15
411.1999207	2.29
418.7717896	0.10
423.7941284	0.35
425.1759644	6.16
425.8403625	0.03
434.6764221	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	377.14
Annotation	Riboflavin
Peak:m/z	Relative Intensity
116.911026	0.35
131.1071472	0.12
132.9285126	0.18
134.9917603	0.06
152.9720612	0.12
169.1561279	0.28
170.0769196	0.08
172.1144257	1.32
178.7583313	0.41
179.7831726	0.14
184.2420349	0.14
184.918335	0.10
195.1269531	0.23
198.0496826	0.90
200.1189117	0.83
202.25354	0.29
205.7175903	0.10
207.4116058	0.31
212.9879913	0.21
215.0067444	0.25
216.8543243	0.06
219.3962708	0.34
226.0306091	0.49
228.1048279	0.34
229.7935486	0.12
232.1864319	0.10
237.1256714	0.30
241.1203003	0.14
243.0906982	100.00
244.1103516	0.55
257.2464905	0.21
260.2744141	0.07
269.3344116	0.09
271.2921448	0.64
278.0145874	0.09
279.1341248	0.66
285.1551819	0.25
286.906189	0.12
294.1976624	0.13
295.0197449	0.16
296.1227417	0.25
297.1456299	0.45
299.0643311	0.77
301.0734253	0.27
305.04245	0.14
306.6719666	0.81
308.4193726	0.40
313.2774353	0.86
314.5941772	0.22
315.3495483	0.76
316.3257141	0.06
317.4078674	0.14
319.0300598	0.41
321.2290649	0.17
323.4326172	0.50
331.2780762	2.39
332.2160034	0.26
333.0165405	0.82
334.2722778	1.85
335.0828247	0.14
336.0869141	0.29
341.3105774	1.72
344.5238647	0.10
348.9214783	0.74
351.4403381	0.28
354.0200806	0.14
359.1719971	24.97
359.8338318	0.98
361.4442444	0.10
367.8470764	0.27
368.7710266	0.62
377.3423157	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
183.9051819	0.08
197.0337219	0.22
231.1096191	0.07
233.4473877	0.05
234.3491211	0.03
269.2568054	0.09
270.2407227	0.04
277.3656616	1.92
293.2407837	0.03
309.4116821	0.13
333.3632812	0.05
350.6202393	0.25
363.2922363	0.08
364.1253662	0.10
365.5589600	0.19
405.3238525	0.03
431.2697144	0.04
433.2799683	0.02
448.8316040	0.19
466.2556152	0.14
472.0214233	0.15
476.3437500	0.08
477.4306641	0.18
478.4372559	0.03
481.3538818	0.05
497.3661499	0.12
502.3712769	100.00
503.2606812	0.60
515.5740356	0.28
516.3080444	0.05
518.3809204	0.03
519.1348267	0.03
520.5421753	0.09
523.2835083	0.05
526.1023560	0.10
528.4584351	0.06
533.7158813	0.13
534.5905151	0.03
543.5860596	0.25
544.7575073	0.25
546.2703857	0.11
553.1927490	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	707.1824
Annotation	Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
261.9994812	0.03
321.1289062	0.14
322.2722778	0.03
323.3657532	0.04
339.1596680	0.02
340.0863647	0.05
351.1728516	0.10
353.1229858	100.00
353.8794556	0.25
355.3483887	0.03
391.0620728	0.06
477.4265137	0.03
513.2996216	0.17
514.3994141	0.72
515.3992310	0.62
526.6199341	0.04
532.0790405	0.04
538.4831543	0.07
539.3583374	0.02
545.0785522	0.12
661.0613403	0.03
668.5286255	0.09
685.6851807	0.05
687.9579468	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	884.4972
Annotation	Solasonine
Peak:m/z	Relative Intensity
251.2342072	0.13
267.5069580	0.40
347.3979797	0.56
378.3561401	1.52
379.3101807	0.54
382.7233887	0.19
396.3193359	3.42
396.9432983	0.17
413.9873657	0.27
414.6613159	4.97
492.4036865	0.30
524.6229858	0.13
529.2770996	0.15
535.5346680	0.21
542.5646362	0.23
558.6033936	0.51
576.7635498	0.76
655.4318848	1.29
714.2484741	0.13
718.8067017	0.43
720.6541138	0.71
722.7109375	1.25
738.5447998	1.75
769.4448242	0.17
844.4203491	1.55
866.5866699	100.00
867.6783447	3.18
874.9793701	1.16
883.7734985	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
126.7890091	0.03
130.8842163	0.04
133.9790192	0.55
135.0272369	0.53
136.1352692	0.03
136.9568787	0.08
140.9465942	0.08
143.0004425	0.03
149.0848083	0.39
156.6153564	0.10
157.9202423	0.08
160.1034546	0.18
161.0777740	0.42
162.1744080	0.04
171.1038513	0.02
171.9036713	0.05
175.1540222	0.67
175.9937134	0.13
179.1414185	0.33
180.1856384	0.11
191.0980530	0.14
193.0708313	7.02
194.1471252	1.69
205.2474365	0.14
207.1199646	0.22
227.1814270	0.03
231.0367432	0.37
232.0090027	0.08
235.1084595	0.08
236.0760040	0.09
236.9918976	0.03
241.4191589	0.06
249.1192627	14.50
250.1561279	2.58
253.1828918	4.35
254.1939087	1.46
267.1322327	100.00
268.1033325	23.66
270.9207764	0.05
272.3033142	0.11
281.1181030	0.64
281.8098450	0.11
287.1302185	0.03
293.3444214	0.11
295.2261963	0.15
296.8012390	0.07
309.3049316	0.03
310.2194824	0.03
323.2329102	0.09
324.4616089	0.06
331.1519775	0.05
335.1299438	0.46
336.1900024	0.08
337.2796631	0.07
347.9130554	0.12
349.4573975	0.06
352.4916992	0.06
355.2803955	0.03
364.1781616	0.09
367.3038330	0.29
375.4018860	0.16
381.3161316	1.15
382.3139343	0.49
383.1024475	0.95
384.3319092	0.25
389.9679565	0.02
393.4459534	0.13
398.0465393	0.04
399.2639465	0.53
400.5445251	0.16
402.2845154	0.01
406.4743042	0.05
408.0423889	0.08
411.1885681	11.92
412.1918640	5.94
413.1614075	0.02
425.2128601	11.62
426.3133545	7.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	181.04
Annotation	3-Ureidoisobutyrate
Peak:m/z	Relative Intensity
83.1339264	0.04
84.1193085	0.03
97.7458954	0.05
99.1298370	0.03
101.1378326	0.04
136.9485779	0.10
144.9847412	100.00
163.2472076	0.09
163.9794464	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
109.1898422	0.18
134.9951935	0.66
136.1389771	0.15
143.0621643	0.04
161.211319	0.53
162.1012878	0.21
173.0734253	1.05
174.0845184	0.35
178.9610291	4.64
180.0694427	1.15
191.0447083	100.00
192.039444	29.05
196.0990753	0.14
202.2346497	0.14
203.5970917	0.09
214.2131653	0.10
224.8839111	0.21
231.2061462	0.10
246.084259	1.11
259.362854	0.29
266.2401123	0.06
268.4147949	0.11
273.4587097	0.05
285.1619568	0.16
295.3496094	0.13
298.0531616	0.04
302.1047974	0.08
308.0425415	0.66
309.1842041	0.13
310.2285156	0.51
311.4230957	0.04
318.1339722	0.12
325.2696228	0.07
328.138855	0.06
334.2861328	0.13
335.1053467	0.15
336.2278442	1.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
109.1441727	0.01
111.0375443	0.05
113.1247787	0.01
113.7730637	0.05
126.9566879	0.11
134.1090393	0.01
135.097702	0.66
143.055603	0.05
151.3033447	0.02
155.3283386	0.01
161.1189575	0.60
171.0067291	0.05
173.1288147	0.67
179.0802002	3.79
183.2128601	0.02
187.0360107	0.02
191.0300598	100.00
192.8355103	0.01
195.0736389	0.03
205.2342987	0.01
206.036911	0.02
218.9087219	0.03
221.196991	0.01
223.3294067	0.05
236.1711121	0.01
238.2058716	0.02
247.2124329	0.02
251.1167908	0.01
253.4657288	0.01
254.8539429	0.03
262.7369385	0.02
265.1390686	0.02
273.1316528	0.02
281.2108765	0.03
285.435791	0.01
291.4162598	0.03
307.0515747	0.12
307.9206543	0.02
308.6542358	0.04
309.3131409	0.11
310.9608765	0.01
317.3317871	0.04
334.4762573	0.04
335.3381958	0.07
338.1591187	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	362.997
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9417114	4.60
114.9404221	0.10
130.7897186	0.09
132.9875946	2.19
155.0098572	0.07
173.0111389	1.45
191.0351715	100.00
230.0277710	0.03
231.0171509	0.15
233.0985413	0.65
234.0027466	0.44
245.0797119	0.19
256.1473389	0.04
256.9388428	0.05
258.4129333	0.79
259.1173096	1.88
261.1417847	0.03
264.9135132	0.03
271.2177124	0.08
275.0316162	0.09
276.9535828	0.14
280.8409729	0.14
284.1754761	0.06
288.2001343	0.15
291.2589111	0.14
302.0105591	0.05
302.9853516	0.44
304.8175659	0.08
317.1278381	0.20
319.1787109	0.30
325.2088623	0.07
342.1863708	0.04
343.0544128	0.16
344.2933044	0.47
345.1138000	1.41
346.3851013	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	963.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
296.3200378	0.12
297.3055115	0.34
298.4770813	0.39
305.2073669	0.28
313.4588928	0.80
314.2446289	0.44
315.2932129	5.70
316.3179016	4.01
317.3517456	0.53
340.2616272	0.26
341.4251099	0.14
343.3665771	0.09
344.4697266	0.06
359.4374695	0.04
362.5859985	0.17
379.4239502	0.18
382.4492798	0.06
406.5292969	0.04
423.5581665	0.07
424.2877197	0.28
438.7180176	0.04
441.3039551	0.12
442.5669556	0.16
443.4238892	0.07
448.2678223	0.27
459.5129395	0.20
460.3220825	0.15
467.2178955	0.25
468.5135498	0.47
477.3943481	0.15
478.4573364	0.22
484.1826172	0.13
491.6670532	0.12
493.4779663	0.14
520.6663208	0.56
562.6983643	0.28
592.5455933	0.15
603.6364136	0.52
604.4614258	0.82
605.5178833	0.17
606.7062988	0.60
621.4679565	2.90
622.4586792	6.12
623.4818115	1.25
624.7768555	0.06
630.0804443	0.09
639.7487183	3.73
640.6010132	6.45
641.5181885	1.87
654.3097534	0.28
664.5311890	0.43
705.8921509	0.07
736.6798706	0.06
749.7476807	0.21
765.7247314	0.26
766.4522095	0.69
767.5896606	0.28
777.0740967	0.07
783.5959473	7.14
784.5778198	32.75
785.5326538	12.80
801.7283325	25.27
802.5653076	100.00
803.6541138	29.79
816.2636719	0.37
826.0635376	0.30
826.9465942	0.25
843.8496094	0.07
844.6851196	0.86
845.4566040	0.34
854.2303467	0.06
863.3930054	0.05
866.9616699	0.13
876.6067505	0.04
899.3972168	0.32
918.8969116	0.05
928.5803833	0.42
929.8342285	0.25
934.9607544	0.26
945.2277832	0.26
946.5729370	13.76
947.6743774	2.63
964.7542114	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	754.9
Annotation	Unknow
Peak:m/z	Relative Intensity
274.4647827	0.06
277.2925415	0.11
288.3244019	0.12
291.8071594	0.09
296.2736206	0.06
297.1516724	0.10
308.2270813	0.09
313.2823792	0.23
317.3245850	0.22
366.4910889	0.08
384.2397461	0.11
389.8095093	0.14
414.4954834	0.12
445.2203369	0.08
446.8523560	0.19
475.3874512	0.13
484.0385132	0.16
502.4356689	1.21
543.2654419	0.16
570.4210815	0.14
571.0363159	0.32
615.5282593	1.05
664.1927490	0.42
708.7497559	0.10
737.0006714	0.25
743.4949951	0.24
773.9760132	0.88
776.2767944	0.66
777.2980347	0.38
778.7395630	0.54
782.6863403	0.09
783.4082642	1.72
795.5706177	0.63
805.8974609	0.79
813.5690308	0.25
855.8357544	0.36
872.1174927	1.31
892.1539917	0.36
908.6454468	0.85
909.6501465	0.17
913.1296387	2.81
915.3231812	0.25
916.2883301	0.35
920.1847534	0.60
933.1670532	0.92
937.8893433	5.52
939.9014282	0.23
969.7929077	0.12
974.2202759	0.25
978.4246216	7.11
979.7963867	0.35
1066.6453860	0.34
1091.7635500	0.10
1105.6956790	0.05
1147.4255370	0.12
1205.6666260	0.19
1206.8544920	0.28
1214.6190190	0.13
1276.4178470	0.28
1345.9493410	0.45
1400.9693600	0.07
1469.9573970	0.07
1500.2154540	0.29
1570.1497800	0.15
1573.7120360	0.12
1575.5599370	0.13
1580.8835450	0.05
1616.2111820	0.22
1632.2259520	0.12
1639.9758300	0.12
1648.8522950	0.12
1676.5982670	0.11
1677.5445560	0.10
1709.2464600	0.86
1716.0089110	0.11
1724.6888430	0.16
1729.9981690	0.11
1743.5972900	0.08
1754.4254150	0.07
1757.9002690	0.41
1763.5765380	0.31
1777.9245610	0.14
1782.7424320	0.15
1788.8674320	0.75
1792.7564700	0.61
1808.1842040	0.07
1810.4390870	0.16
1820.1019290	0.28
1826.2247310	0.18
1827.8972170	0.16
1831.8309330	0.09
1834.8503420	0.23
1835.6467290	1.14
1837.4163820	0.20
1839.3641360	0.10
1840.8677980	0.14
1842.0515140	0.11
1846.8565670	0.20
1849.7830810	0.76
1852.8059080	6.38
1854.9229740	10.54
1859.3200680	0.62
1860.1160890	0.29
1861.0271000	0.18
1866.3132320	9.82
1868.7718510	0.09
1870.0676270	1.24
1874.7071530	0.47
1875.4688720	0.06
1876.5589600	1.16
1877.9626460	0.30
1880.5686040	0.24
1882.6326900	0.15
1884.4808350	0.07
1886.2130130	0.31
1889.2520750	0.84
1890.9547120	3.52
1894.1458740	0.20
1894.9588620	1.30
1895.8161620	3.00
1898.9123540	0.18
1903.0484620	0.44
1905.6877440	0.07
1906.8104250	0.12
1907.9913330	0.20
1910.3546140	0.34
1911.8878170	0.48
1912.9934080	0.37
1913.5936280	0.38
1914.6026610	0.30
1915.4266360	0.27
1916.9476320	0.13
1918.5540770	1.12
1919.1716310	0.70
1920.8734130	0.15
1922.7633060	1.07
1923.9436040	0.91
1924.7487790	0.12
1925.5635990	0.10
1926.7609860	33.82
1928.9715580	0.88
1931.6688230	0.84
1933.2110600	0.22
1934.0769040	1.98
1935.9450680	0.06
1937.1656490	1.28
1938.3289790	0.14
1940.0133060	0.64
1942.9836430	0.40
1946.4978030	1.40
1948.6551510	6.91
1949.6280520	2.01
1951.3817140	1.70
1952.4274900	0.97
1953.1595460	0.06
1955.2213130	0.16
1955.8927000	0.21
1956.8433840	0.16
1959.4478760	6.85
1960.0860600	0.66
1961.3084720	0.40
1962.1677250	0.55
1963.6229250	1.77
1964.5882570	0.21
1966.9759520	0.43
1968.1282960	6.03
1969.1722410	0.32
1971.7033690	3.18
1972.5197750	0.16
1973.2121580	0.48
1974.3619380	4.32
1977.3087160	2.12
1978.4129640	1.29
1979.1676030	9.71
1980.5596920	0.99
1981.9532470	13.92
1983.1105960	5.31
1984.7584230	4.84
1986.4665530	1.32
1987.5167240	5.02
1988.2674560	0.09
1991.4168700	0.14
1992.5920410	0.72
1993.7821040	1.66
1994.6125490	100.00
1995.8215330	0.48
1997.3167720	2.60
1998.2351070	0.23
1999.5860600	20.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
110.919632	0.04
127.0585709	0.07
133.2371674	0.04
134.9362793	1.21
137.1748047	0.02
154.9702759	0.06
161.0098572	0.46
173.0235596	8.48
179.1120911	8.54
191.0292664	100.00
191.8711395	0.07
216.3374939	0.02
217.0049438	0.06
307.2423401	0.02
309.2955017	0.03
335.2295837	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
110.9786987	0.04
115.1054077	0.07
125.8964386	0.07
127.0414886	0.06
134.1227112	0.03
135.0263367	0.63
142.6505737	0.12
149.0040894	0.26
159.0516357	0.10
160.0158691	0.13
161.1064148	0.29
173.0894928	2.83
178.9790344	3.93
179.828949	0.13
189.8765106	0.05
191.0489044	100.00
197.9058228	0.05
199.9718018	0.06
207.2649536	0.16
216.0952148	0.05
217.2025452	0.03
223.2124634	0.06
224.1133118	0.04
230.0046997	0.04
253.3733215	0.04
254.0538025	0.03
255.1136169	0.12
259.0540771	0.04
263.0114136	0.15
265.2414551	0.14
274.0365601	0.05
290.8876953	0.03
292.9152222	0.04
307.0917358	0.32
308.1644897	0.05
308.988739	0.13
315.7268677	0.05
316.8232117	0.05
321.4134521	0.02
325.6150513	0.10
334.165741	0.06
335.1618042	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	454.292
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
179.1573792	0.53
184.8280334	0.38
198.1127930	0.57
216.1279907	0.54
216.8940887	0.10
235.4713898	0.11
241.1285400	0.12
282.3851013	1.47
290.2868042	0.32
295.5047607	0.23
313.3764343	57.22
327.1202393	0.26
341.5290527	0.09
382.2605591	0.11
387.3660583	0.12
388.6438904	0.57
393.2272644	6.64
405.2686768	0.34
408.4174805	0.65
412.1579285	0.22
418.5229797	0.10
422.2934265	0.21
425.8902893	0.12
436.2101746	100.00
436.9305725	0.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.169
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
96.9768219	1.98
98.8731842	1.20
111.035553	0.16
118.9728317	0.32
153.1861877	0.49
158.2857666	0.18
170.0331268	2.83
171.0947113	0.31
183.009491	100.00
184.068222	17.02
185.3574524	0.96
187.1071014	0.14
195.1713867	0.20
197.0158844	11.05
198.0803528	3.66
199.3838501	0.15
204.8048401	0.40
209.2105713	0.46
211.1939087	1.44
212.1418762	1.70
215.4162903	0.33
219.2402344	0.37
223.2382507	0.23
225.2037659	1.98
226.0000916	1.96
227.1852722	0.47
227.964447	0.21
239.2678528	6.90
240.0159912	0.34
241.256897	0.24
242.7742615	0.34
247.2717896	6.13
248.3182678	0.55
249.3225098	0.97
253.4377441	1.21
254.3145752	1.06
265.4978333	0.25
266.6714172	2.04
267.3643494	4.37
268.1900635	0.72
281.0820312	0.20
283.7956543	0.20
291.5434875	0.30
293.3155518	6.75
295.0119629	0.14
311.3511353	14.75
312.282196	1.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
149.0209351	100.00
149.9406128	31.05
167.0446472	9.59
167.9218445	4.54
216.8161316	4.32
227.2747803	2.51
254.6477051	7.32
260.0926819	8.15
260.7207336	4.18
261.3965454	24.28
278.9897766	17.86
279.9723511	65.02
345.0096436	3.70
347.5563354	2.27
348.6931458	9.80
375.3370056	24.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0057373	0.09
161.1068726	0.17
162.7686462	0.07
191.2621460	0.59
204.9406433	0.12
216.8883209	0.12
228.1159973	0.06
243.1013489	0.07
243.9103394	0.08
270.8938904	0.04
277.3226929	0.14
286.2238159	0.13
292.0818481	0.07
293.1840820	0.26
293.9810181	0.11
310.6078491	0.16
311.3173828	0.58
313.3941040	0.13
329.3646851	0.16
331.5167236	0.13
333.3014526	0.07
345.2130737	0.05
346.3009644	0.04
353.3604736	0.28
374.5596924	0.12
393.4130859	0.14
412.4448242	0.11
428.5690918	0.37
435.5249023	0.14
436.4406128	0.17
445.0775146	0.79
463.2499390	100.00
464.9208984	0.04
465.8248901	0.06
472.5001831	0.06
488.3378296	0.18
489.2897339	0.20
490.1943359	0.34
491.3598633	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	145.06
Annotation	3-Ureidoisobutyrate
Peak:m/z	Relative Intensity
74.0280914	0.06
82.9134445	0.01
84.0921020	0.11
86.9045258	0.02
99.1810608	0.03
101.1231842	0.34
107.9071045	0.01
109.0817719	7.64
116.0785370	0.01
125.1667938	0.04
126.9862518	100.00
127.9690399	13.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	614.9
Annotation	Unknow
Peak:m/z	Relative Intensity
229.0628815	0.03
273.0280151	6.99
274.0243530	0.05
386.9916382	17.74
387.9114380	0.03
388.8436279	0.03
474.9990845	0.04
480.9455566	0.05
485.0850830	0.04
498.9813843	0.68
500.9050903	100.00
501.5230103	0.72
508.2171021	0.09
511.3751831	0.02
523.1452026	0.07
525.2052002	0.03
527.1403198	0.15
528.3137817	0.02
529.0222778	0.03
540.9641724	0.09
543.1119385	0.09
567.9332275	0.18
569.0611572	0.38
570.4419556	0.12
571.1536255	0.06
571.8637085	0.07
579.0103760	0.02
582.1125488	0.16
582.8341064	0.12
586.4693604	0.03
588.1781616	0.03
597.1599731	0.11
606.4710693	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	609.1452
Annotation	Isoorientin 6''-O-glucoside
Peak:m/z	Relative Intensity
179.0722198	1.59
183.1585388	0.15
185.3143463	0.04
187.1732483	0.33
189.1405029	0.07
190.1229248	0.06
191.0016632	0.20
192.2043457	0.22
193.0266266	0.29
195.0233612	0.06
198.0378876	0.07
201.2398376	0.22
203.0076599	0.30
205.0476379	0.14
207.1275177	0.08
209.1821289	0.09
211.1111450	0.20
211.9969482	0.13
213.1072998	0.21
215.0395508	0.04
217.2157745	0.12
221.2711334	0.06
225.3045044	0.17
227.0037537	0.58
228.0835419	0.06
229.1421509	0.78
231.2118225	0.11
233.2189026	0.12
239.2414246	0.10
241.3589325	0.09
243.0556641	0.15
245.2920380	0.11
247.2193298	0.29
251.1987762	0.03
253.9277954	0.11
255.1429291	4.28
256.2575073	0.22
257.2113647	0.61
265.1264954	0.06
265.8736267	0.04
271.2103577	5.57
272.1663818	0.24
273.1643677	1.04
275.1989136	0.38
281.3009949	0.10
283.1810913	0.49
284.8988342	0.10
287.4591064	0.03
295.0764771	0.17
296.2759399	0.05
297.1569214	1.07
299.2563477	1.75
300.0918579	27.98
301.0951538	100.00
302.2019653	0.22
307.2973633	0.06
311.2637024	0.05
313.1391907	0.78
315.0915222	0.17
325.0877686	0.69
329.3484497	0.21
331.3864746	0.22
337.3449097	0.13
341.1512451	0.04
343.1988525	6.42
353.1564941	0.15
355.2351074	0.54
367.1577148	0.21
371.0298462	0.03
372.9957275	0.30
373.8848267	0.07
397.0900269	0.05
411.0623169	0.05
427.4761353	0.05
429.0968018	0.06
447.0623779	0.22
457.1743774	0.55
463.1566162	0.85
465.2618408	0.97
473.4538574	0.07
481.2896729	0.36
482.9657593	0.04
499.3843384	0.16
500.1927490	0.17
501.3591919	0.08
520.2932129	0.10
523.4945068	0.05
563.3619995	0.06
565.4365845	0.32
567.4959106	0.04
578.9536743	0.07
591.3146362	2.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	540.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
155.1027374	0.08
162.0865326	0.70
172.9989471	0.10
178.9454956	0.69
187.9779968	0.19
197.0543518	0.04
207.0767517	0.45
213.1895905	0.13
215.0343933	0.49
215.6795349	0.05
233.0157776	2.59
234.3287964	0.05
249.1083527	0.14
251.2480469	0.07
257.4374695	0.14
271.1473389	0.04
284.1478882	0.28
285.4807739	0.20
289.6437378	0.03
290.2640381	0.04
300.9906616	0.27
302.3282471	0.23
304.0939941	0.04
308.1142578	7.96
318.1782837	2.10
319.1906128	1.40
322.9854126	0.16
334.3450317	0.13
336.1055298	28.25
343.9869385	0.35
358.2177734	0.27
359.4686890	0.13
362.2907715	1.54
375.0806274	1.09
376.0274048	0.16
381.2855225	0.10
382.1924438	0.15
384.3148804	0.13
393.2047119	3.26
393.8464355	0.03
395.2001953	0.09
399.3514404	0.15
400.2943726	0.19
402.2485962	0.97
409.2415161	0.19
411.1664429	100.00
411.7855225	1.03
412.8616333	0.26
413.6372070	0.08
429.4831543	0.27
430.9407349	0.07
437.3305054	0.19
447.1113281	1.55
448.3438721	0.20
450.9094238	0.09
458.7391968	0.04
465.2039795	15.19
465.8626099	0.23
468.3350830	0.13
477.1955566	0.70
504.2532959	0.34
522.2756348	9.18
523.3563843	0.40
553.5617065	0.11
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
206.7829895	0.28
231.9768372	0.15
287.8893127	0.08
290.7959595	1.28
315.9586182	0.10
374.9134521	0.41
390.9044189	0.08
403.1754150	0.34
413.2149048	0.05
434.1732178	0.31
443.1114502	0.10
452.0120239	0.08
458.6130371	11.46
459.2619629	0.11
465.2418823	0.61
481.3042603	0.16
542.5959473	100.00
543.2869263	0.37
580.0711670	0.32
581.0552979	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.283
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
121.0692749	2.64
128.0331573	3.14
133.0926666	1.48
141.0716095	6.33
149.0197144	100.00
149.9613495	53.88
161.6066895	2.93
166.175705	7.66
166.9709015	36.81
167.9565735	14.72
193.0569153	0.88
202.0710754	6.03
209.6044617	0.97
232.7796631	1.05
242.5177917	0.81
245.3008118	1.94
257.0513916	1.05
260.5901184	16.20
261.6116028	29.94
263.1617126	4.95
276.223053	1.01
277.3002014	2.11
279.0444336	32.99
279.9891968	29.66
303.3156738	3.87
313.2380676	2.16
315.5681458	3.27
320.5422058	0.79
322.7730408	1.31
324.3221436	1.05
329.0115967	8.00
333.2124023	2.11
346.3300171	4.36
347.4212036	4.22
350.9854126	0.80
355.045929	5.23
356.6349182	1.39
361.2711792	1.14
363.4016113	1.80
373.9456787	17.23
374.8650208	5.05
382.9588623	25.15
383.9323425	16.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1411.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
398.3555298	0.13
434.5103760	0.15
443.1142273	0.13
447.4975586	0.13
448.4854736	0.17
462.0923157	0.13
467.3076477	0.09
469.2560120	0.07
493.2788086	0.11
501.7041626	0.15
517.1137695	0.03
522.1185913	0.15
525.6478271	0.04
536.3580933	0.04
547.3256836	0.13
563.5570068	0.26
570.2847290	0.05
572.6057129	0.09
581.3909912	0.05
585.4564819	0.10
590.5303955	0.06
597.1979980	0.08
614.9999390	0.18
617.4656982	0.12
621.3565063	0.12
627.5780640	0.10
632.0750732	0.07
638.7036133	0.07
646.0710449	0.04
666.5777588	0.08
680.6677856	0.21
683.4392090	0.10
685.3160400	0.25
701.1452637	0.04
702.7932129	0.10
707.2387695	0.17
713.3973389	0.06
714.4809570	0.13
718.4423218	0.07
740.2932129	0.06
744.6387939	0.12
752.5617065	0.10
761.3104248	0.09
762.7363281	0.07
766.6514893	0.08
767.9124756	0.14
779.4549561	0.11
780.7406616	0.09
783.7127075	0.05
797.4845581	0.06
801.2971802	0.13
807.8165283	0.10
810.6767578	0.10
811.5719604	0.09
831.2803345	0.15
835.9158936	0.09
852.4644775	0.13
853.1047363	0.25
856.7303467	0.05
862.3331299	0.15
866.6456909	0.07
883.9309082	0.08
889.9685059	0.06
896.2136230	0.05
899.7541504	0.10
907.0275879	0.16
908.6246338	0.06
909.2779541	0.23
926.2977295	0.04
927.1916504	0.14
935.2847900	0.09
936.4692383	0.10
938.6383057	0.19
941.2753906	0.25
944.0073242	0.06
947.3176270	0.34
952.5217285	0.09
962.1822510	0.50
973.4124756	0.05
980.6157227	0.07
983.7368164	0.10
987.2431641	0.09
993.2093506	0.09
997.2803955	0.14
998.6071777	0.09
1000.5933840	0.17
1001.7241210	0.03
1006.2497560	0.05
1008.5307620	0.20
1019.4919430	0.06
1022.4500730	0.19
1023.2581790	0.09
1028.4387210	0.06
1029.1126710	0.08
1050.9219970	0.20
1057.9832760	0.41
1069.0607910	0.08
1084.9646000	0.84
1092.5366210	0.35
1093.6468510	0.08
1095.7280270	0.06
1105.2795410	0.20
1106.7427980	0.07
1107.6680910	0.06
1117.2694090	0.30
1119.2716060	0.08
1120.4405520	0.22
1123.7089840	0.54
1125.8809810	0.68
1127.0314940	0.27
1132.2565920	0.13
1133.2774660	0.31
1135.2573240	0.32
1137.8734130	0.13
1138.8052980	0.10
1139.4564210	0.12
1145.7832030	0.05
1148.9359130	0.14
1151.6101070	0.16
1156.1052250	0.14
1158.1031490	0.08
1159.2409670	0.63
1161.4549560	0.29
1162.5703120	0.39
1164.1240230	0.57
1166.2122800	0.22
1175.2037350	0.73
1176.3934330	0.04
1179.1208500	0.25
1180.5999760	0.08
1183.3994140	0.14
1190.2052000	0.29
1191.3762210	0.46
1197.0083010	0.22
1197.8518070	0.09
1198.9331050	0.07
1200.3206790	0.34
1201.4598390	0.59
1202.7558590	0.40
1203.4968260	0.34
1204.8326420	0.50
1205.4638670	0.08
1207.9633790	0.55
1209.4670410	0.91
1210.0683590	0.05
1212.9594730	0.12
1213.6855470	0.10
1217.8875730	0.63
1218.8933110	0.35
1220.1668700	0.15
1222.0101320	0.18
1223.2084960	0.77
1225.9552000	0.63
1227.2073970	0.18
1228.8939210	0.13
1230.9021000	1.24
1234.3356930	1.61
1235.1807860	0.51
1235.8992920	0.62
1240.6708980	0.23
1241.6931150	0.67
1243.9357910	0.50
1245.4958500	1.28
1246.1773680	0.59
1249.4123540	0.60
1253.9008790	0.28
1254.9392090	0.24
1255.5815430	0.17
1257.7478030	0.48
1258.9458010	1.30
1260.5993650	0.50
1261.7006840	0.13
1263.2529300	0.83
1264.4426270	0.61
1265.8574220	0.47
1267.6157230	2.37
1268.5397950	1.29
1269.2934570	0.57
1270.0430910	0.49
1271.2263180	0.23
1272.1484380	1.12
1272.9100340	0.25
1274.0173340	2.21
1274.8874510	0.17
1276.0395510	0.42
1277.6330570	1.84
1278.9614260	2.51
1279.8544920	0.62
1281.2402340	1.54
1282.0545650	0.25
1284.5361330	2.21
1285.4990230	0.68
1286.4124760	0.58
1287.5175780	2.19
1288.1391600	0.34
1289.3172610	0.18
1290.2919920	0.64
1291.1815190	0.92
1292.0421140	0.49
1292.8413090	0.85
1293.5549320	0.08
1294.4321290	0.98
1295.7194820	2.41
1296.4599610	0.72
1297.5708010	1.94
1298.7933350	0.68
1300.4500730	0.90
1302.1640620	4.50
1302.9375000	2.29
1303.9482420	1.34
1305.1265870	0.70
1306.0177000	0.97
1306.6406250	2.32
1308.0164790	0.68
1308.7614750	0.11
1310.1301270	1.07
1311.2999270	1.13
1312.2631840	1.66
1313.1171880	1.10
1314.2696530	1.02
1315.6652830	0.13
1316.5415040	2.51
1317.6347660	2.66
1318.7163090	4.71
1319.5904540	0.94
1320.3947750	1.25
1321.4233400	0.56
1323.0938720	1.49
1324.0354000	1.39
1324.8291020	3.28
1325.6035160	2.68
1327.4172360	1.31
1328.5374760	1.84
1329.7664790	3.69
1330.4697270	0.61
1331.2484130	1.37
1332.7971190	1.53
1333.6662600	0.93
1334.7355960	2.51
1335.7905270	4.93
1336.6535640	0.76
1337.7526860	0.89
1338.4169920	0.24
1339.8140870	1.95
1340.4916990	6.52
1341.2916260	4.04
1342.9819340	0.39
1343.8094480	0.31
1344.7470700	1.48
1345.7962650	0.59
1346.7412110	0.57
1347.4339600	2.06
1348.3031010	0.39
1349.0469970	1.48
1349.9826660	4.28
1351.0753170	1.77
1352.1660160	1.78
1352.9880370	5.50
1354.0935060	1.86
1355.1319580	5.83
1355.9868160	7.67
1356.7152100	1.26
1357.4318850	1.18
1358.5288090	11.58
1359.3934330	3.05
1361.3067630	3.74
1362.1771240	24.16
1363.5961910	3.52
1364.4030760	9.90
1365.2246090	1.03
1366.4938960	1.17
1367.1262210	1.05
1367.8774410	55.40
1369.2586670	1.15
1370.4853520	0.50
1371.3007810	0.51
1373.7150880	100.00
1374.5468750	4.62
1375.2860110	0.50
1376.0427250	1.67
1377.0791020	0.63
1378.1545410	1.05
1379.1107180	1.59
1380.1254880	1.66
1382.0275880	1.77
1382.9111330	1.18
1383.8895260	0.18
1385.0600590	2.07
1385.9489750	1.11
1386.6354980	0.22
1387.4023440	0.84
1388.1120610	2.23
1388.8498540	1.07
1390.4443360	1.24
1391.3887940	4.54
1392.1981200	0.65
1393.9147950	6.77
1394.6241460	6.66
1395.3295900	2.12
1396.5312500	2.21
1397.3100590	9.99
1398.3652340	0.63
1399.6562500	1.25
1400.4112550	4.09
1401.4954830	0.65
1419.1844480	0.06
1425.4924320	0.08
1426.1929930	0.09
1430.0156250	0.45
1432.1260990	0.13
1437.4102780	0.11
1440.7684330	0.48
1443.5236820	0.18
1444.4454350	0.15
1447.6008300	0.44
1448.7017820	0.14
1451.5981450	0.06
1452.3314210	0.16
1454.3594970	0.22
1458.7164310	0.11
1459.5220950	0.45
1462.1882320	0.60
1471.0360110	0.15
1475.7122800	0.06
1478.2668460	0.24
1486.3291020	0.04
1490.0460210	0.61
1491.7652590	0.17
1495.3524170	0.08
1496.2263180	0.11
1498.4010010	0.21
1499.1726070	0.13
1507.2595210	0.27
1511.5109860	0.24
1517.2174070	0.53
1526.7830810	0.17
1527.9848630	0.09
1529.3084720	0.28
1531.4898680	0.23
1533.8770750	0.46
1537.6857910	0.41
1541.7498780	0.49
1542.6516110	0.28
1548.3078610	0.08
1549.4488530	0.16
1551.5843510	0.58
1554.1628420	0.21
1555.7264400	0.31
1558.0976560	0.16
1561.8627930	0.05
1566.4615480	0.17
1569.4378660	0.29
1572.4738770	0.05
1575.1590580	0.21
1578.0391850	0.11
1579.1992190	0.29
1582.0202640	0.32
1584.7558590	0.05
1587.8414310	0.06
1588.9564210	0.16
1590.2098390	0.31
1590.8680420	0.27
1592.0427250	0.20
1594.4637450	0.26
1598.8958740	0.13
1601.9681400	0.17
1605.9759520	0.08
1609.8298340	0.44
1610.8184810	0.40
1612.0394290	0.11
1612.9506840	0.09
1618.0792240	0.45
1619.9290770	0.14
1622.3004150	0.14
1624.0214840	0.12
1624.9227290	0.16
1626.9832760	0.19
1628.9669190	0.02
1630.6556400	0.08
1632.2012940	0.24
1633.0487060	0.16
1638.9992680	0.15
1640.2662350	0.41
1642.7803960	0.17
1643.8195800	0.08
1646.5670170	0.20
1647.9523930	0.16
1656.6569820	0.13
1660.4173580	0.11
1661.0734860	0.06
1662.5892330	0.72
1663.2723390	0.40
1664.7910160	0.08
1666.2103270	0.40
1670.5274660	0.37
1671.3255620	0.24
1673.9508060	0.20
1676.5201420	0.35
1677.1685790	0.11
1678.9476320	0.10
1684.7640380	1.19
1685.6353760	0.06
1687.9002690	0.33
1691.7515870	0.16
1692.9283450	0.06
1695.8282470	0.30
1697.4056400	0.21
1698.6419680	0.13
1700.3157960	0.40
1701.9317630	0.90
1703.5296630	0.19
1704.7320560	0.99
1707.6080320	0.17
1709.5526120	0.21
1710.9654540	0.37
1711.7785640	0.85
1716.7901610	0.29
1717.7969970	0.69
1718.8139650	0.39
1719.5379640	0.06
1723.1970210	0.27
1724.5847170	0.32
1725.3869630	0.32
1727.5242920	0.15
1728.8469240	0.36
1731.0729980	0.05
1731.7913820	0.06
1733.5144040	0.11
1734.6092530	0.94
1736.2147220	0.62
1737.9229740	0.20
1740.3612060	0.06
1742.3762210	0.09
1743.5051270	0.48
1744.1740720	0.32
1745.0093990	0.64
1746.5645750	0.26
1747.9761960	0.11
1750.3571780	0.33
1751.7310790	0.85
1753.0231930	0.60
1754.2073970	0.31
1755.1094970	0.13
1755.9367680	0.42
1758.8612060	0.32
1760.5001220	0.25
1762.0340580	1.55
1764.0843510	0.16
1765.6301270	0.44
1768.6149900	0.59
1769.6241460	0.74
1770.5548100	0.05
1771.8538820	0.36
1774.2481690	0.39
1775.5002440	0.07
1777.1529540	0.53
1778.7906490	0.62
1779.6400150	0.22
1781.1677250	0.20
1782.1483150	0.28
1783.0448000	0.26
1784.3892820	0.24
1786.0227050	0.07
1787.1241460	0.58
1787.7266850	0.22
1789.2878420	0.23
1790.1981200	0.50
1791.8973390	0.22
1793.3477780	0.53
1795.6672360	0.72
1796.5894780	0.56
1797.5211180	0.24
1798.1610110	0.56
1799.4075930	0.63
1800.2912600	0.03
1801.8287350	0.20
1802.6408690	0.28
1803.9489750	0.30
1804.9709470	0.16
1806.4425050	0.16
1809.2386470	0.43
1811.0617680	0.69
1812.2620850	0.18
1813.0676270	0.28
1814.4543460	0.23
1815.9078370	0.21
1817.2677000	0.51
1819.0076900	0.27
1819.7819820	0.23
1820.5233150	0.12
1824.3182370	0.27
1825.9930420	0.21
1828.3756100	0.50
1829.8350830	0.81
1831.3204350	0.06
1831.9293210	0.21
1832.9167480	0.82
1833.9229740	0.19
1835.5572510	0.14
1836.4012450	0.25
1838.2061770	0.66
1841.0782470	0.04
1842.5670170	0.06
1843.6866460	0.51
1844.3537600	0.36
1845.6427000	0.32
1846.3566890	0.07
1847.4870610	0.13
1848.5856930	0.11
1850.3475340	0.51
1851.1519780	0.59
1852.1368410	0.80
1852.9138180	0.33
1856.4063720	1.13
1857.0993650	0.10
1858.3289790	0.09
1859.2420650	1.83
1860.3179930	1.75
1861.3269040	0.75
1862.3624270	0.95
1864.9901120	0.38
1865.6339110	0.17
1866.5969240	0.21
1867.6260990	0.43
1868.7443850	0.09
1869.9382320	0.70
1871.7598880	1.11
1872.6961670	0.26
1873.3792720	1.05
1874.7603760	0.08
1875.8181150	0.78
1876.4371340	0.13
1877.3280030	0.89
1879.0406490	0.27
1880.1179200	0.74
1881.1848140	0.32
1882.1539310	0.29
1883.5877690	0.46
1885.4276120	1.71
1886.7565920	0.32
1887.3737790	0.14
1888.3951420	0.35
1889.0959470	0.93
1890.6495360	0.61
1892.1291500	0.06
1892.8953860	0.61
1893.8546140	1.57
1894.8626710	0.48
1896.2419430	1.01
1897.1544190	0.91
1897.8526610	0.55
1898.7999270	0.16
1900.0162350	0.38
1901.2928470	0.31
1903.0501710	0.78
1903.7369380	1.16
1904.3743900	0.32
1905.3107910	0.12
1906.0017090	0.24
1907.2380370	0.45
1908.2003170	15.43
1909.4083250	0.67
1910.1876220	0.37
1910.9661870	0.45
1911.7965090	0.70
1912.5980220	0.22
1913.2410890	0.28
1914.1325680	0.33
1915.3176270	1.08
1916.7457280	0.25
1917.7357180	0.59
1919.0266110	0.90
1919.9798580	1.51
1920.9393310	1.85
1921.6350100	0.31
1922.4117430	0.46
1923.8820800	1.29
1924.6583250	0.59
1926.0076900	0.65
1926.6077880	0.14
1928.5681150	5.49
1929.6275630	5.42
1931.2320560	0.54
1932.4154050	0.25
1933.6120610	2.22
1935.5965580	1.19
1936.9890140	14.76
1938.0227050	3.78
1938.7757570	1.75
1939.5264890	0.48
1941.2706300	16.62
1942.6771240	0.14
1944.1589360	11.23
1945.9129640	1.17
1946.9836430	0.11
1948.1678470	1.11
1950.5896000	0.42
1951.3859860	0.34
1952.3807370	0.34
1953.0955810	0.16
1953.9989010	1.60
1955.6579590	0.66
1957.6009520	0.23
1958.4486080	0.82
1959.1198730	3.06
1959.9514160	0.20
1960.6545410	0.89
1962.5372310	1.53
1963.1793210	0.14
1964.3605960	0.12
1964.9908450	0.14
1966.0817870	1.42
1966.8723140	3.40
1967.4842530	1.44
1968.6551510	0.40
1969.6212160	0.73
1970.4056400	0.49
1971.5476070	0.45
1972.1643070	2.84
1972.9451900	9.46
1973.8282470	0.52
1975.0079350	0.60
1976.0015870	0.91
1977.1912840	2.45
1978.1018070	2.32
1979.6151120	0.20
1981.1343990	0.83
1982.4700930	0.29
1983.3961180	3.35
1984.4749760	2.96
1986.4157710	1.48
1987.4337160	4.35
1989.3089600	0.86
1990.3400880	0.10
1991.8732910	2.59
1993.0609130	1.58
1994.0430910	0.46
1995.1226810	0.18
1995.8211670	2.82
1996.6358640	0.77
1997.4168700	0.04
1998.4113770	0.03
1999.1013180	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.2627
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
140.0407715	0.21
152.9113312	0.26
196.1241150	0.26
197.1516266	0.08
205.2213593	0.21
214.0677948	2.67
233.6908569	0.28
234.4223328	0.14
255.1205750	0.16
257.2738953	0.06
259.2125549	0.67
267.2725525	0.21
275.4103699	0.09
277.2850952	100.00
278.3014221	34.12
281.2504578	0.24
311.5996094	0.09
327.5696716	0.18
339.4830627	0.11
341.4588928	0.04
345.4786987	0.18
351.4590759	0.07
385.1416931	0.06
387.3789368	0.06
391.1001892	0.43
403.3316956	0.11
413.4054260	0.20
418.6827698	0.09
420.5372009	0.09
428.4963074	0.11
431.3845215	1.22
437.8964844	0.10
439.4224243	0.23
457.3258972	0.53
458.0461121	0.16
459.1204834	0.06
460.4219971	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.1227
Annotation	Glu Tyr
Peak:m/z	Relative Intensity
111.8448944	0.23
117.918335	0.50
130.8131409	0.57
131.9329834	0.25
133.1069183	0.96
147.2400513	0.64
150.0420837	0.62
162.1429291	0.51
163.9723358	1.50
165.0044861	0.32
179.6459808	0.50
180.9862213	3.80
182.0830078	100.00
195.1345367	0.79
206.1027527	0.28
222.0683594	0.71
233.1789551	0.25
234.0588684	0.18
236.1972046	1.15
246.9667664	0.17
253.4064026	1.22
265.3126221	0.11
269.9899902	0.13
283.14151	2.92
292.5555725	1.76
293.3289795	4.45
294.1571655	0.51
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
93.0342865	0.38
94.98729706	0.17
98.57372284	0.25
103.0427704	0.37
108.9920349	2.07
110.9515381	0.54
112.5547028	0.15
114.9688034	0.40
117.0680237	0.38
118.984787	0.33
123.0320435	0.66
124.9423828	0.21
127.007782	0.80
129.8292389	0.26
135.2630615	1.18
136.9052582	0.94
140.7686157	0.65
142.1434631	0.35
147.2429962	0.72
148.867157	0.17
150.9936981	0.68
153.2545471	0.55
156.8536377	0.61
158.9008484	0.46
161.0849915	0.38
163.1391144	0.38
165.0489502	0.57
166.0179138	0.63
167.1199341	0.41
169.3265228	0.17
171.1153259	0.88
172.1908417	1.14
178.7330322	0.71
181.178894	2.85
184.1202393	0.39
185.0848694	0.28
186.8668518	0.50
189.0359497	2.13
191.0662384	1.27
193.1721802	1.35
195.0139465	1.85
197.1429291	1.31
198.962204	0.63
200.9645386	0.26
205.2337341	1.56
209.2175598	1.20
210.039032	0.82
211.2967529	2.33
212.2851868	1.55
215.2720947	0.61
217.420105	0.34
219.139679	0.78
223.2094727	2.22
225.4312744	1.56
226.4658508	0.24
231.1673279	0.19
233.1454773	0.24
235.1198425	2.00
237.0813599	1.38
238.763855	0.67
241.2244873	1.55
247.3111267	0.74
249.1867065	2.08
250.3852539	0.62
251.1873779	5.29
253.1017456	7.68
255.2020264	0.52
257.1687317	0.82
265.1715088	2.40
267.3132935	1.72
268.4627991	0.21
269.0821838	0.72
269.944397	1.75
271.0131226	0.70
273.3469849	0.60
274.0386353	0.32
275.2389526	11.20
276.1622925	0.21
279.1537476	1.03
282.7293091	1.34
283.3397827	9.89
287.5737915	0.38
291.1766968	0.21
293.2018127	100.00
294.064209	2.20
295.4911194	1.10
299.3838806	1.61
302.0146179	0.76
305.194458	1.84
310.7608032	1.51
316.140564	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	322.0757
Annotation	Beta-Citryl-L-glutamic acid
Peak:m/z	Relative Intensity
101.9023972	0.06
129.9714966	100.00
130.8770142	0.16
141.1794434	0.08
146.6448364	0.03
147.9964752	0.03
149.6799316	0.05
158.2081604	0.02
162.1220703	0.17
172.9108734	0.05
174.9407349	0.07
176.0577393	0.79
189.7570343	0.02
191.8355103	0.27
192.9477234	2.25
229.0125427	0.05
233.3760681	0.15
247.0085754	0.09
272.5879211	0.17
275.0826416	0.18
276.0014648	0.13
277.2953491	0.07
285.1116333	0.94
286.0067749	0.95
287.0395508	0.56
291.1369019	0.04
303.0793762	7.92
304.1269226	4.65
305.2268677	0.36
313.1425781	0.09
317.1810913	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	461.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1709290	0.26
315.3179932	100.00
387.5796204	0.40
414.9896545	0.43
443.1547241	1.35
444.3948059	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1021.8066
Annotation	Unknow
Peak:m/z	Relative Intensity
372.1714478	0.54
451.3281860	0.34
452.5168457	0.33
454.4701233	2.97
455.4288330	0.77
485.3979187	0.64
496.3078003	0.72
557.5443115	1.44
559.6721191	2.05
567.5321655	1.60
568.5047607	0.92
615.7399292	0.59
628.6828613	1.26
675.9685059	0.21
684.3138428	1.11
707.1892090	1.68
708.7979736	0.40
716.1542969	2.80
731.5901489	0.41
745.6182251	1.31
764.8354492	1.19
778.8806152	95.27
779.8682861	0.42
781.6508179	1.39
785.0214844	0.82
841.6872559	0.21
842.5714111	0.99
849.6080322	0.69
854.6239014	1.48
858.4737549	0.26
859.4084473	0.84
868.2072754	0.61
876.6195068	3.93
890.0450439	1.28
891.6342773	0.33
893.7534180	1.03
895.1375732	1.03
896.4239502	1.31
900.6166992	4.42
901.3748779	3.62
903.8120117	0.24
909.7374268	7.72
927.2080078	1.27
965.2316895	2.14
969.9990234	4.79
972.4849854	0.90
973.7924805	1.15
975.3250732	0.64
985.3408203	2.36
989.5750732	8.53
994.1640625	23.51
994.9882812	1.08
998.7695312	0.97
1005.0435790	1.37
1005.9002690	0.64
1008.7498780	0.95
1009.4185790	0.43
1022.2028810	3.49
1031.7044680	0.52
1041.4350590	1.35
1064.8918460	6.97
1078.4038090	0.77
1080.7421880	0.87
1093.8203120	0.41
1103.0850830	4.47
1143.8968510	1.08
1147.0269780	0.25
1149.4589840	1.28
1158.4149170	3.46
1159.2677000	1.01
1167.8201900	100.00
1168.5205080	22.95
1169.4648440	3.21
1173.7067870	0.85
1201.7576900	17.84
1206.7740480	1.39
1210.9111330	1.16
1212.6229250	7.58
1213.4246830	2.88
1225.3079830	7.39
1257.7615970	5.61
1263.7177730	7.45
1270.1457520	1.60
1272.4392090	1.13
1281.4254150	1.14
1286.2763670	2.96
1292.7954100	23.60
1293.4167480	8.21
1325.2606200	2.10
1399.1783450	1.78
1413.1702880	0.87
1419.4047850	1.68
1455.6593020	1.48
1480.2039790	0.46
1482.1772460	0.90
1505.4907230	0.59
1516.0789790	0.25
1524.0290530	0.85
1525.1785890	0.30
1537.8985600	0.31
1539.6417240	1.59
1541.8765870	4.02
1542.5457760	0.25
1543.3995360	1.51
1545.2551270	0.71
1588.9871830	0.28
1595.8795170	1.07
1620.7185060	0.95
1638.6218260	1.28
1639.9754640	0.21
1657.1574710	0.48
1680.1995850	0.49
1682.2137450	0.48
1690.2640380	0.75
1695.6081540	0.16
1711.9118650	2.25
1733.9445800	1.27
1734.7427980	1.48
1751.8204350	1.07
1752.7828370	6.86
1753.6984860	3.38
1762.8704830	0.21
1777.5989990	0.19
1787.6561280	0.70
1788.7603760	0.36
1796.3533940	2.59
1814.5474850	0.35
1822.0606690	0.32
1823.0631100	0.80
1831.8846440	0.30
1832.5451660	0.29
1847.3542480	1.17
1848.5194090	0.48
1853.4530030	0.21
1856.7747800	2.06
1862.4587400	2.86
1863.3260500	0.74
1865.1414790	0.46
1866.3533940	0.32
1872.1004640	0.52
1877.2360840	1.53
1881.8420410	0.38
1884.9136960	1.69
1888.0780030	9.06
1889.0491940	1.17
1889.8248290	0.46
1891.2767330	1.17
1892.0324710	0.66
1895.7901610	0.52
1898.7888180	1.09
1901.0462650	7.86
1901.7663570	0.60
1909.0832520	1.06
1909.9572750	0.23
1913.4061280	0.76
1915.7796630	0.25
1918.3596190	0.25
1919.1898190	0.47
1920.6385500	6.82
1922.2489010	2.41
1923.6228030	6.70
1924.6354980	0.19
1927.8741460	9.89
1928.9260250	0.38
1930.1931150	0.57
1931.1579590	1.23
1931.9254150	33.32
1932.9322510	2.48
1938.3463130	1.74
1939.3664550	0.82
1940.2497560	0.34
1942.0457760	0.76
1942.8184810	0.69
1943.6031490	1.02
1944.2595210	0.21
1946.5015870	0.67
1947.8406980	1.40
1951.6024170	1.44
1953.2814940	2.85
1955.2611080	0.23
1957.0181880	0.73
1958.8914790	2.40
1959.5352780	2.25
1960.3419190	3.71
1966.8302000	0.21
1969.6849370	0.56
1970.3416750	0.99
1971.4671630	0.30
1972.6149900	2.95
1973.4558110	1.30
1974.1842040	4.37
1976.6148680	0.63
1977.8397220	1.05
1979.2106930	1.05
1980.4417720	2.23
1981.2510990	17.07
1982.6809080	0.23
1984.1219480	1.91
1986.0343020	0.34
1987.1676030	1.51
1990.4901120	11.14
1991.1627200	14.36
1993.0593260	1.64
1994.6859130	7.11
1996.7071530	18.91
1998.3128660	7.45
1999.1793210	2.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	796.61
Annotation	Unknow
Peak:m/z	Relative Intensity
290.8388367	2.31
293.0204773	0.52
374.6422119	2.18
376.8963623	0.47
458.7378540	5.17
460.4817505	13.34
541.3936157	2.15
542.6772461	41.06
544.0294800	30.62
544.6727905	100.00
575.5305176	1.20
588.6433716	1.28
625.9899902	7.51
626.6586304	5.63
628.4596558	79.96
629.5579224	8.52
630.4657593	3.84
647.7946167	0.62
689.6669312	12.05
690.7109985	4.80
691.4547729	1.47
694.2976685	4.53
710.3871460	17.86
711.3743286	7.26
712.4141235	99.71
713.1365356	4.87
732.0133057	1.26
749.4751587	3.58
750.7226562	7.62
752.1265259	1.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2421
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
94.85447693	0.50
99.14273071	0.77
109.0646515	0.36
112.7501221	0.26
115.2253265	0.50
135.0673523	0.63
139.0858765	2.88
143.04953	1.90
146.9188843	0.60
153.0204315	3.02
157.1437073	0.26
167.2790222	0.24
169.0157776	0.47
170.1994324	0.79
175.1894684	0.94
183.0116577	2.39
191.0592041	0.28
197.1155548	7.87
199.0085449	1.60
203.4148254	0.69
210.8777771	0.41
221.3447266	1.57
223.0634766	0.66
224.3598633	0.19
225.5373535	1.22
232.2343445	1.77
233.3127136	0.84
237.2408752	0.73
239.2980652	8.64
243.3316956	3.63
253.2718506	2.59
255.2194824	5.56
261.1712341	0.96
269.2779846	2.00
271.0495605	0.69
279.2362976	100.00
288.5126038	2.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
99.1181183	0.18
112.1972046	0.03
115.9294510	0.06
120.1834488	0.08
125.0251617	0.03
125.9657440	0.07
128.1033783	7.97
130.0254517	0.13
134.9133301	0.11
141.1712646	0.02
143.0189514	9.99
144.1614990	0.03
145.2189178	0.39
146.1110535	1.15
149.0021057	0.12
153.1249695	0.13
160.0297394	10.47
166.1210327	0.39
167.0878448	0.66
170.0685120	0.17
171.0890808	1.02
177.1022034	8.10
179.1162720	10.46
183.9465637	0.03
185.1088867	1.45
188.1456604	0.04
193.1390228	0.02
197.1085205	1.47
201.1827698	0.12
202.1005554	0.03
203.1886292	0.11
210.1865234	5.61
212.9797058	2.10
217.1463013	0.02
218.1708069	0.11
221.7355347	0.03
224.4035645	0.02
228.1521606	0.58
231.0679626	0.77
233.3246765	0.07
234.1022339	0.01
236.1614685	0.66
240.5151062	0.03
242.2067871	1.53
244.4015198	0.09
245.3517456	0.02
254.2185059	95.18
260.0814514	0.07
261.3116455	0.02
262.0075073	0.03
264.1599121	0.04
269.9852295	0.04
272.1230164	100.00
285.0804138	0.03
288.1535645	61.75
299.3348999	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	715.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
213.1672211	0.08
221.9973755	0.03
229.3440857	1.92
235.1171112	0.05
241.3834991	0.09
243.2959900	0.20
245.2619324	0.04
251.4165649	0.06
253.2955780	0.05
263.2451782	0.55
265.4075317	0.06
271.2683105	0.06
275.0603027	0.06
282.2948914	0.04
283.3560791	0.04
285.0946655	0.02
287.2742920	0.02
291.2263794	0.06
293.3627625	0.08
295.3634033	0.09
296.4107056	0.02
299.4940186	0.15
305.1389160	0.10
309.2296143	0.04
313.5133057	0.02
315.2705078	0.05
319.3835449	0.14
337.3722534	0.25
355.3612061	0.43
357.3674316	0.17
373.4088745	2.12
374.4102783	0.03
391.4286499	5.86
405.4898682	0.09
413.0191650	0.07
415.4459229	0.60
427.6951294	0.05
431.5702515	0.03
475.1972656	0.07
517.4541626	1.03
534.2162476	0.07
535.4436035	23.07
536.3903809	0.12
553.4067993	100.00
554.4349976	0.95
560.3703613	0.09
567.6589355	0.11
574.9987793	0.10
577.4453125	0.21
583.3023071	0.07
589.1467896	0.06
594.3764038	0.03
595.4400024	0.21
600.5756226	0.04
601.5899048	0.02
609.5455322	0.03
619.7747803	0.03
623.7020874	0.02
631.4023438	0.04
637.5122681	0.06
653.6714478	0.06
663.8704224	0.02
668.8269653	0.09
670.7454834	0.02
679.5153198	0.10
691.5476074	0.02
697.4528198	13.50
698.4314575	0.21
699.0443115	0.03
716.5730591	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1083.9373
Annotation	Unknow
Peak:m/z	Relative Intensity
297.2031860	0.22
377.4170532	1.79
434.6347656	0.57
447.8017883	0.19
448.4885864	0.73
547.4685059	1.03
563.3422852	1.76
685.1292725	0.23
774.4779053	0.70
790.8735962	0.39
987.2808838	1.77
992.0418701	2.89
1001.2662350	2.12
1019.1098630	4.00
1020.2602540	1.92
1026.9323730	1.35
1044.6428220	1.28
1046.8984380	9.51
1051.6459960	11.95
1055.0714110	3.02
1061.7769780	1.47
1065.4553220	2.21
1071.2441410	1.20
1105.3123780	2.27
1175.4318850	0.95
1181.1992190	1.53
1188.2714840	5.23
1214.1031490	3.44
1233.5737300	2.04
1252.2323000	3.12
1257.7659910	12.32
1258.6322020	6.49
1263.4927980	2.54
1276.2636720	1.73
1282.0010990	0.97
1284.3612060	1.62
1285.5004880	0.75
1286.3963620	0.21
1289.9552000	1.28
1295.5883790	3.25
1296.4278560	3.02
1314.9230960	1.58
1359.6448970	1.33
1362.7576900	0.73
1366.5090330	1.52
1368.4307860	2.65
1369.4179690	1.89
1588.9638670	0.29
1624.0297850	0.58
1662.8153080	2.10
1665.1947020	1.34
1703.8845210	0.14
1704.8040770	0.41
1719.2520750	1.17
1743.3717040	1.47
1755.4178470	0.44
1772.0045170	1.71
1778.5363770	0.14
1790.6765140	0.27
1794.9558110	0.54
1801.6007080	1.02
1809.6329350	0.92
1815.8123780	0.28
1817.8812260	0.57
1840.1055910	0.29
1847.9744870	0.35
1849.6314700	0.14
1851.9752200	12.09
1853.2264400	0.54
1854.3758540	2.62
1860.0555420	0.84
1864.3328860	1.11
1867.2142330	0.40
1870.1138920	0.54
1874.7443850	0.30
1876.2823490	0.30
1879.4635010	0.47
1887.8459470	2.26
1890.8050540	0.30
1892.2052000	2.63
1894.4932860	0.23
1895.3114010	1.38
1896.9934080	0.14
1898.2385250	0.31
1898.9117430	0.17
1900.1115720	0.35
1901.5281980	1.07
1908.2747800	2.54
1909.8704830	0.41
1910.9171140	2.25
1913.1389160	0.19
1914.2860110	0.57
1915.6785890	1.47
1922.0354000	0.32
1922.7213130	0.38
1923.7287600	2.81
1924.5045170	0.16
1927.5426030	1.89
1928.8035890	1.45
1929.8165280	0.27
1930.4792480	1.78
1931.9597170	6.78
1933.4500730	3.85
1939.4796140	2.49
1941.2493900	2.18
1942.0124510	4.94
1942.8165280	1.40
1945.1322020	2.06
1946.2189940	12.39
1948.6101070	23.63
1949.5235600	0.38
1950.4329830	0.43
1951.3707280	0.19
1952.6658940	2.84
1954.2037350	0.74
1955.4107670	0.62
1957.3148190	0.62
1959.0001220	3.76
1959.6553960	0.72
1960.9613040	2.94
1961.9876710	4.04
1962.6077880	0.43
1963.6116940	7.50
1964.3067630	0.46
1965.0350340	1.07
1967.1672360	9.02
1969.2072750	3.48
1970.0531010	34.30
1971.0959470	0.21
1971.7620850	0.88
1972.9962160	0.65
1975.6629640	0.19
1977.1846920	0.38
1978.1912840	4.08
1980.1866460	0.17
1981.3695070	100.00
1982.2821040	4.81
1984.3975830	1.46
1985.3419190	7.51
1986.6823730	10.34
1988.3026120	0.43
1989.6530760	26.85
1990.7745360	19.56
1991.9840090	0.95
1994.4094240	0.25
1995.6107180	0.61
1998.5972900	5.65
1999.4935300	2.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	852.166
Annotation	Unknow
Peak:m/z	Relative Intensity
280.3026733	0.05
283.3429260	0.24
315.3190002	0.20
330.9252930	0.12
334.3574219	0.15
366.2885132	0.07
370.3178711	0.10
383.0683594	0.19
401.1041260	0.04
447.4833984	0.09
463.8646851	0.08
466.2969971	0.07
482.3825684	0.14
529.9385986	0.20
557.4114380	0.08
558.2747192	0.15
670.9052124	0.09
706.8299561	0.04
728.2147827	0.29
763.4843140	0.40
775.4119873	0.20
779.9030762	0.99
788.9539795	0.67
791.7244873	0.45
795.6803589	0.37
797.0534668	0.64
798.5630493	0.76
800.4440308	1.65
801.3189087	0.31
802.1912231	0.10
803.6795044	0.32
804.8292847	0.06
806.9977417	0.04
810.2617798	0.64
812.3395996	0.05
814.5932617	0.22
815.3576050	0.88
817.2827759	1.64
818.3512573	0.61
821.1228638	5.00
821.8427124	0.02
822.7624512	1.50
824.2502441	3.32
825.2805176	0.08
826.6084595	4.80
827.9819336	1.00
828.8792114	0.43
830.0293579	6.41
830.7131348	4.33
831.6172485	0.49
832.3397827	0.25
833.7029419	1.07
835.4262085	1.03
836.5452881	0.52
837.2561035	0.08
838.4411011	7.27
839.3286743	1.97
840.1314087	5.60
840.9877930	2.47
842.6106567	1.40
843.8809204	7.58
844.7850952	0.28
847.1840210	0.06
873.3615723	0.29
892.9742432	0.09
897.4093628	0.18
900.9719849	0.53
901.6124268	0.39
922.1731567	0.39
926.3813477	0.29
927.5026855	0.29
932.9677124	0.50
934.0715942	0.59
937.0272827	0.14
940.5544434	0.46
942.9716187	0.37
949.8171387	1.10
951.9807739	0.67
953.6181030	0.42
954.5148315	0.44
956.2577515	0.66
958.4558716	0.87
959.2922363	0.53
961.7174683	0.05
963.8685913	0.06
967.2819824	0.66
968.7683716	0.45
969.5686646	0.32
970.3718262	0.70
971.5067749	2.96
972.3549194	0.62
974.3098145	0.35
976.1203003	1.61
977.0593872	0.94
979.3154297	1.27
980.1350708	0.88
983.3337402	3.09
984.2116699	3.45
984.9064331	0.26
986.1763306	1.59
987.0605469	2.35
987.7585449	0.37
988.9826660	0.54
990.0401001	2.26
991.3681030	1.37
992.8386841	0.90
994.1606445	1.34
994.9931030	0.98
995.9176636	1.80
996.5329590	0.10
997.2185669	0.44
997.9093628	0.62
999.5941772	0.49
1000.6755980	3.38
1001.6631470	0.44
1002.7092290	0.82
1004.3457030	2.49
1005.3666380	1.85
1006.4913940	0.52
1007.6381230	4.42
1008.6871950	6.90
1009.6301880	1.41
1012.2058720	12.34
1013.0581670	2.85
1013.9884640	1.42
1014.9833980	0.60
1016.2162480	1.00
1017.0203250	0.91
1017.9526370	0.77
1018.9678340	3.39
1019.7606810	1.08
1020.6645510	0.10
1021.5691530	1.73
1022.9967650	2.56
1024.1274410	3.82
1025.5476070	5.45
1026.4848630	1.37
1027.4721680	1.87
1028.4362790	11.37
1029.6494140	10.79
1030.5247800	7.00
1032.6145020	31.52
1033.4707030	13.91
1034.1538090	1.32
1035.2209470	1.18
1035.8972170	0.59
1036.5390620	2.98
1037.4174800	100.00
1039.1833500	0.49
1040.4235840	5.12
1041.4716800	3.66
1042.5083010	0.67
1043.6040040	0.05
1044.8354490	0.05
1045.8076170	0.13
1047.4774170	0.54
1048.3941650	0.03
1054.4603270	0.14
1058.5454100	0.13
1065.7734380	0.33
1091.4196780	0.12
1130.0603030	0.22
1144.6060790	0.17
1145.8415530	0.09
1150.8056640	0.11
1155.5058590	0.33
1172.7191160	0.15
1175.8447270	0.12
1179.5983890	0.07
1181.0511470	0.23
1182.7454830	0.15
1184.4964600	0.24
1186.7219240	0.06
1188.8055420	0.22
1193.3935550	0.10
1204.6252440	0.54
1221.6928710	0.13
1223.9716800	0.25
1225.1696780	0.49
1227.0106200	0.20
1232.7646480	0.91
1234.7382810	0.41
1235.4515380	0.36
1237.6108400	0.26
1238.6652830	0.18
1240.5594480	0.47
1242.5227050	0.72
1243.6384280	0.47
1244.8927000	0.35
1247.2253420	0.13
1248.4294430	0.36
1249.5515140	0.48
1250.6210940	0.50
1252.8228760	0.42
1254.1622310	0.38
1255.2423100	0.41
1255.8695070	0.39
1264.0552980	0.10
1270.2562260	0.43
1271.5006100	0.35
1273.5284420	0.90
1275.6348880	0.35
1276.3916020	0.21
1277.1351320	0.34
1278.8587650	0.14
1280.3272710	0.15
1281.6883540	0.44
1282.5080570	0.24
1283.8089600	0.23
1285.8081050	0.27
1287.7739260	0.78
1289.4102780	0.21
1290.2054440	0.25
1291.1397710	0.13
1291.9661870	0.80
1293.2308350	0.25
1294.5988770	0.61
1295.7445070	1.25
1298.9908450	0.03
1300.5177000	0.05
1301.4237060	0.63
1302.6743160	0.21
1304.8828120	0.67
1306.1026610	1.21
1307.4825440	0.35
1308.8511960	0.41
1311.0816650	3.11
1311.8963620	0.77
1312.8137210	0.06
1315.6951900	0.53
1316.5412600	0.42
1317.4425050	0.12
1321.1453860	0.05
1321.9296880	0.98
1323.9655760	0.72
1327.3406980	0.58
1328.7143550	0.05
1329.4506840	0.23
1331.5979000	0.05
1333.1375730	1.29
1334.2000730	0.54
1335.4454350	0.68
1336.4554440	0.22
1338.6060790	1.23
1339.3979490	0.50
1340.4237060	0.34
1343.9117430	0.22
1344.7095950	0.32
1345.8889160	1.60
1346.6899410	0.49
1348.7321780	0.36
1349.6442870	0.23
1351.0562740	0.08
1353.1528320	0.70
1357.4277340	0.05
1358.6353760	0.44
1385.3374020	0.06
1427.0344240	0.12
1428.0198970	0.25
1440.0529790	0.09
1445.8874510	0.27
1446.5876460	0.05
1454.8571780	0.10
1479.8411870	0.27
1511.8399660	0.03
1519.2584230	0.31
1552.1118160	0.18
1568.1356200	0.09
1605.5611570	0.26
1609.7537840	0.06
1620.9571530	0.06
1641.0020750	0.39
1694.2663570	0.05
1705.0301510	0.10
1708.3332520	0.34
1712.4464110	0.09
1721.6424560	0.12
1722.8194580	0.08
1735.0296630	0.03
1736.0362550	0.59
1744.1527100	4.34
1749.4654540	0.04
1770.6307370	0.04
1783.3634030	0.04
1784.7476810	0.03
1790.3941650	0.04
1794.9807130	0.12
1796.9739990	0.20
1812.8929440	0.08
1823.5958250	0.04
1830.0477290	0.07
1847.0513920	0.04
1854.3074950	0.05
1858.0274660	0.09
1860.3436280	0.37
1869.5261230	0.16
1872.4857180	0.59
1878.3288570	0.07
1884.5993650	0.19
1888.0057370	0.11
1890.6042480	0.04
1891.3425290	0.14
1893.0222170	0.72
1897.1086430	0.04
1898.9327390	1.08
1899.6423340	0.05
1900.4948730	0.10
1908.2198490	0.24
1909.9171140	0.05
1910.5660400	3.09
1913.3428960	5.31
1920.7889400	2.15
1922.1600340	0.21
1923.7043460	0.05
1928.6656490	0.12
1929.7816160	0.05
1931.2614750	0.11
1932.2175290	0.15
1938.1887210	0.07
1943.9259030	5.70
1945.1861570	0.72
1945.9993900	0.45
1948.5495610	0.13
1950.1096190	0.04
1956.1290280	0.09
1959.4073490	1.85
1960.0914310	0.04
1960.8942870	0.60
1967.9548340	0.03
1970.0172120	0.56
1970.9143070	0.17
1972.6101070	1.83
1974.7723390	2.17
1975.8524170	0.65
1978.6956790	0.96
1981.3485110	1.92
1982.1304930	0.21
1983.2115480	0.08
1986.5079350	5.87
1989.2406010	2.61
1991.0451660	0.33
1991.7235110	17.33
1994.4294430	0.78
1995.0806880	0.03
1996.2252200	0.11
1998.5612790	5.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
113.9840698	2.31
120.1088638	4.14
121.2242508	3.46
127.0273972	1.01
132.00354	1.12
138.9099121	1.56
140.8061218	1.44
144.7204437	2.35
149.0219421	100.00
149.9823456	41.75
163.6713257	1.31
166.2891235	21.03
166.9203491	32.11
168.022934	18.15
178.1502075	4.13
221.1188507	5.81
227.2145386	2.03
233.2696533	7.08
243.3196411	5.54
244.9039917	9.00
251.4314575	3.34
257.9734802	1.55
259.4915771	2.31
260.8193665	29.87
261.8532715	25.33
270.7219238	1.33
273.1691284	5.97
279.2073975	46.06
280.1234741	30.89
287.8567505	1.12
292.9053955	2.41
308.2695923	1.83
315.0071106	3.23
318.0145264	6.82
325.7998352	5.37
329.3457031	2.04
331.3307495	9.75
332.0889282	2.79
332.8594971	5.45
334.2383423	4.72
338.0216675	1.12
342.0221558	3.74
344.3840942	0.79
346.128479	1.00
347.0560303	2.60
348.2700195	1.28
351.1381226	4.01
361.4685364	8.39
368.4669189	1.55
369.2576294	4.41
371.6500854	4.91
373.6891785	17.91
375.389801	3.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	979.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
277.5134888	0.14
287.1300354	0.21
293.3677368	0.06
295.3706970	0.35
305.2489624	0.06
313.3797913	1.22
329.2330322	0.11
330.6997070	0.29
331.4428101	7.54
332.3963623	1.73
345.1714172	0.14
346.3217773	0.26
351.4943848	0.08
353.6266479	0.05
355.4299316	0.22
356.3338928	0.04
373.1854248	0.19
374.3424377	0.04
377.5106812	0.12
379.6079102	0.12
409.5196228	0.15
421.2848816	0.24
439.5933838	0.28
440.5801392	0.07
451.7092896	0.09
457.4821777	0.03
458.6149902	0.06
459.6290283	0.09
467.2568970	0.08
475.3657227	0.22
476.6402588	0.05
481.5610962	0.14
493.5557251	0.57
494.4552612	0.07
535.4357910	0.60
536.2473145	0.06
564.6813965	0.05
578.6538086	0.13
619.4556885	1.78
620.5873413	0.26
621.4924927	1.57
637.4815063	6.36
638.5699463	1.76
655.4568481	9.95
656.5466919	2.77
669.6544189	0.12
679.7483521	0.45
697.4474487	0.19
721.4893188	0.20
781.3485718	0.51
782.7730713	0.26
785.5447998	0.09
799.5512085	39.14
800.5515747	14.18
817.5343628	100.00
818.6006470	35.80
830.9035034	0.12
842.3496094	0.12
852.7419434	0.14
859.5026245	0.67
860.6217041	0.51
863.6846313	1.63
864.6601562	0.62
871.1871338	0.17
872.7994995	0.09
901.3799438	0.06
949.0736694	0.41
951.9313965	0.09
957.7351685	0.14
961.6060181	8.25
962.5908813	3.95
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
119.0672302	0.10
136.0709534	20.89
136.8556519	0.03
147.1822510	0.09
164.9732208	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.2174
Annotation	Lysine
Peak:m/z	Relative Intensity
130.0468903	5.55
147.0658875	100.00
162.5811005	0.97
177.1979065	1.02
233.2726746	3.69
235.2150574	2.32
237.3420105	1.11
245.5812378	0.51
247.0240173	3.83
252.0689087	1.65
257.1941528	2.16
261.5337524	0.92
275.5222778	0.98
280.5335083	0.83
283.7305908	1.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
137.2120972	0.06
146.9102783	0.10
163.2256012	0.07
165.2022095	0.24
178.9837341	0.23
189.4038086	0.06
191.2054291	0.12
198.9141846	0.13
207.1409302	1.03
209.1797791	3.49
225.2866516	1.77
227.1821899	0.10
232.9873199	0.10
241.1758423	0.08
251.2169800	4.49
267.0501404	0.20
269.1629333	100.00
273.1670837	0.79
287.2557068	2.29
301.4760437	0.05
311.0755615	0.27
329.3876953	0.56
332.5426636	0.18
347.0265503	0.03
356.1994629	0.05
361.3195190	0.26
369.4524841	0.06
375.5523071	0.13
389.1382751	0.55
405.1470642	0.27
414.2561340	0.39
418.4271545	0.16
431.3002014	2.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
106.9140091	0.18
108.0668945	0.48
109.0588531	0.29
118.9424286	0.90
134.0574799	0.12
134.9990082	4.10
136.0325775	4.01
137.0075073	5.32
143.0742340	0.09
161.0989685	0.07
178.1214905	0.18
179.0070496	4.11
181.0534668	100.00
190.9281006	0.09
217.2001648	0.05
219.1862488	0.06
222.0945129	0.08
225.1638184	0.07
226.8143921	0.16
228.2302551	0.06
229.3022461	0.14
246.9858398	0.13
249.3128662	0.14
251.9138489	0.18
253.4252930	0.05
256.9741821	0.22
259.5994263	0.03
263.3122559	0.06
271.2543640	0.14
275.0264893	0.04
280.9532471	0.08
297.0930176	1.10
298.2177734	0.08
299.2765503	0.80
299.9484863	0.05
307.1965332	0.27
308.2388611	0.20
315.1831360	0.11
324.3836670	0.62
325.2611694	0.42
326.1396790	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	715.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
209.2412109	0.03
211.4022827	0.09
213.3519287	0.16
229.1562958	3.01
230.2687531	0.16
235.3129883	0.04
239.3790283	0.12
243.2143250	0.33
253.3169556	0.13
263.1175537	0.46
271.4472351	0.04
272.2428894	0.03
279.4299011	0.11
293.3997803	0.12
295.4156494	0.09
301.2936096	0.04
318.9168091	0.11
319.5377808	0.11
337.3546143	0.18
355.3394165	0.86
357.5497437	0.20
358.4650269	0.04
361.1643677	0.04
373.4825439	2.69
374.5352783	0.50
375.5773926	0.04
391.4770508	4.67
392.4750977	1.72
397.4972534	0.11
405.5436401	0.28
415.3740234	0.50
433.2457275	0.06
445.6004639	0.07
461.4913330	0.03
511.5582275	0.02
517.4096069	0.62
518.5545654	0.20
535.4484253	24.02
536.4948120	6.50
537.3898315	0.03
553.4332886	100.00
554.4318237	24.66
555.2422485	0.22
567.5596313	0.03
577.5271606	0.29
578.4827881	0.03
595.6422119	0.08
607.5376587	0.03
619.4367065	0.03
623.9409790	0.02
670.2216187	0.03
679.1227417	0.03
679.7791138	0.03
686.7365723	0.05
697.4900513	13.55
698.6359253	3.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
101.0543365	0.52
105.0330505	0.07
106.9585876	5.05
113.0157242	0.65
117.1435852	0.06
123.1289749	0.05
134.9477234	100.00
136.9924011	0.04
143.1318817	0.07
147.1561279	0.10
149.1928406	0.03
150.9492950	0.24
157.4240112	0.04
158.9309845	0.41
161.0456238	2.41
163.6569519	0.03
165.0149536	0.12
170.9380188	0.30
176.3095093	0.06
177.0563507	0.54
178.9951172	81.55
203.0056305	0.10
207.1160583	0.12
208.0516357	0.05
211.0599976	0.13
214.7336121	0.18
219.0881348	0.45
221.0819092	0.50
237.0628052	0.12
250.9027100	0.11
258.2871094	0.36
272.6535950	0.14
278.1026001	0.13
279.4069214	0.07
280.8924561	0.11
282.2833252	0.19
295.2346497	0.76
296.0627136	0.25
297.1631775	1.11
304.0332947	0.04
306.4281311	0.11
311.3083496	0.11
312.1762085	0.20
313.3948059	0.12
320.0911255	0.12
321.2366638	0.52
322.0722656	0.11
323.0002441	1.04
325.1929321	0.04
332.2188110	0.12
338.2251282	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.83737946	0.36
95.14156342	0.45
99.17082214	0.56
109.080307	0.54
110.9847488	1.05
115.1354599	0.47
119.1317368	0.28
125.013092	0.80
127.0043793	0.22
128.9659576	1.46
133.1161041	0.24
134.903656	1.09
136.8600922	0.45
139.0383301	1.53
142.9826965	2.38
146.9541321	0.14
148.8034515	0.42
152.9360352	0.76
154.8022614	0.71
157.0318298	0.77
159.2251282	0.79
160.9551697	0.19
163.2140961	0.15
164.8702393	0.55
167.0074768	1.24
169.094574	1.71
171.249588	0.33
171.9031372	0.19
172.994812	0.39
175.2511902	0.67
177.177063	1.28
179.2060242	0.63
181.1520996	1.99
183.1408997	0.76
184.5707092	0.37
191.2269592	0.42
193.190155	0.99
194.9676208	1.54
197.3059387	1.49
198.9972992	1.46
201.1995697	0.72
204.967041	0.73
207.3021545	0.20
209.130249	0.31
211.177002	1.76
212.194458	0.29
213.3018188	0.50
215.3288879	0.86
221.3559875	0.24
223.0678101	1.26
225.2912292	0.69
227.0424194	1.72
229.2157593	0.21
231.3050842	0.37
233.3184509	1.45
235.1604614	0.78
236.7988281	0.18
237.630188	0.59
239.3104553	1.05
241.1302795	1.10
247.263916	0.76
249.3824158	0.13
251.2447815	1.89
252.6363525	0.70
253.2501526	3.26
254.2254639	0.36
257.1934814	0.96
259.1731873	0.23
261.2677307	0.74
263.1738281	0.14
265.250824	2.55
267.2965393	2.40
268.825592	2.41
269.8352661	0.83
273.6105042	0.55
275.2914124	11.12
277.3193665	0.10
279.0500488	0.39
283.0932617	5.52
290.4338989	0.75
291.2588806	0.34
293.2156982	100.00
294.2296448	0.80
301.5831909	0.61
309.1529541	0.33
310.9485474	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
107.0413513	0.22
108.9034424	0.26
110.9404984	0.54
118.2488327	0.16
121.1120987	0.18
122.8938599	0.80
125.2201843	0.33
127.1773834	0.22
128.7911377	0.14
137.0604858	0.62
138.9494019	0.25
140.8618469	0.65
143.0085144	0.87
146.8213348	0.19
149.1269073	0.45
151.1450195	0.50
152.9539795	0.29
159.1514587	0.52
162.2214966	0.16
163.0210571	0.77
167.266037	0.58
169.0988007	0.29
171.3093567	1.06
175.2511597	0.44
178.1555023	0.16
179.2616577	0.15
181.0874634	1.27
183.1772766	0.32
190.9845276	0.52
192.944931	0.49
195.0560303	2.13
197.0992889	1.56
198.4394073	0.26
199.2329559	0.26
201.111084	0.51
203.3245544	0.51
205.0020752	0.77
207.1556396	0.18
209.5519104	0.14
211.1938782	0.66
222.996582	0.28
225.164032	0.59
227.3109741	1.60
229.2884827	0.19
231.4537354	0.09
233.2079468	0.35
235.2489014	0.24
237.3079529	0.16
239.1369019	0.81
240.9960938	1.13
247.2966003	1.30
249.0106506	0.11
251.3006897	1.48
253.2163391	3.85
253.9293213	0.15
257.324646	1.06
265.0914917	1.54
266.3557434	0.71
267.4279175	1.01
269.1287842	0.54
270.1689148	0.52
275.3598328	6.40
279.1990967	0.55
280.0841675	0.41
281.3247375	0.31
283.2426453	4.41
290.3210754	0.50
291.1860962	0.13
293.2033386	100.00
294.1046143	0.86
301.8557129	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	266.98
Annotation	Unknow
Peak:m/z	Relative Intensity
79.1106110	0.09
95.1391144	0.52
96.8554688	1.64
112.9650574	6.45
114.0693665	1.32
131.0159760	100.00
179.1081238	0.05
183.0380096	0.06
192.2487030	0.08
248.9670258	2.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
108.1018448	0.09
109.1066513	0.04
110.9459457	0.83
115.1969452	0.03
126.9943314	0.08
135.0002441	5.47
137.0093384	0.95
144.2036591	0.08
153.2017517	0.02
155.0596008	1.12
161.0890503	0.02
171.1542358	0.05
173.0339661	100.00
178.9832611	54.34
184.9265137	0.04
191.0182800	19.57
203.0126953	0.31
217.0559692	0.52
247.1472473	0.05
267.1183472	0.03
281.4893799	0.08
293.1160889	0.10
295.0874634	0.04
307.1622925	0.24
308.8251343	0.02
334.9780884	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	891.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
255.1029663	0.06
257.2997131	0.07
258.7313232	0.02
263.3097839	0.10
265.4059143	0.07
267.2887573	0.04
268.4528198	0.02
280.6096497	0.09
285.3180237	0.22
286.1899109	0.10
287.0174866	0.17
291.2930908	0.06
299.4934692	0.05
305.3722229	0.09
309.4097900	0.07
313.3356323	0.02
323.6516113	0.02
333.4685669	0.09
334.2866516	0.02
351.3140259	0.38
352.2764282	0.06
369.5375366	0.03
371.5463562	0.08
387.5258484	0.50
388.6255798	0.12
405.5442505	0.44
406.4760742	0.27
419.3572998	0.04
420.5098877	0.02
424.4724731	0.02
429.5842896	0.13
430.7446289	0.05
438.7605591	0.02
447.4315186	0.36
448.4137573	0.03
467.3710327	0.15
475.3803101	0.11
512.9631958	0.02
513.8474121	0.02
516.3389282	0.02
531.3856201	0.87
532.5557861	0.13
533.4628296	0.59
534.5194092	0.02
549.4204102	5.01
550.5774536	1.33
551.8873291	0.02
563.2871094	0.02
567.4850464	8.18
568.6072998	2.38
581.7648926	0.11
582.7246704	0.06
591.4955444	0.29
592.3687744	0.08
609.6731567	0.33
647.2463989	0.03
664.5524292	0.02
675.6174927	0.10
693.5447998	1.05
694.5498657	0.48
696.5667114	0.02
711.5243530	29.29
712.5322876	8.75
729.5272217	100.00
730.5789185	34.53
731.5181885	0.17
734.0802612	0.03
743.4030151	0.02
747.4385376	0.03
753.4855347	0.55
754.4403687	0.02
765.9683838	0.08
771.4558716	0.93
772.5707397	0.40
784.6089478	0.07
825.4849243	0.07
837.6018066	0.08
843.6835327	0.06
844.9702759	0.04
845.9816284	0.02
855.5015259	0.37
856.3975220	0.12
873.5621948	12.95
874.6441040	4.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	800.8028
Annotation	Unknow
Peak:m/z	Relative Intensity
342.8084717	1.07
383.4523926	1.55
418.9458008	2.49
544.8623047	2.84
546.7920532	2.44
548.7612305	5.13
588.9346924	0.73
630.7891235	2.19
632.5783081	33.71
633.3226929	0.76
634.6987915	0.38
694.3632812	0.91
714.4473267	0.83
716.5111694	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.80427551	0.14
98.94841003	0.44
106.9616547	1.25
108.129982	0.43
108.8737183	0.45
110.73526	0.65
116.8479843	0.20
118.9278412	0.52
121.0667267	1.13
123.196434	0.19
124.1066895	0.57
125.091629	0.36
129.005127	0.15
133.1768799	0.77
135.2033997	2.94
137.0664673	0.67
140.8777161	1.05
143.007431	1.47
144.7521973	0.84
147.0583801	2.64
149.2091675	0.69
151.0852203	0.72
152.9705811	0.13
157.0700684	0.29
159.017395	0.38
161.1219482	0.46
163.2440796	0.54
165.0508881	1.83
166.9568481	1.05
169.0180664	1.15
171.1332397	1.81
172.14505	0.32
173.039032	0.44
175.0875549	1.09
177.1465759	1.20
177.9358826	0.13
181.0728149	1.14
182.9277191	0.49
184.0623627	0.57
186.1830444	0.40
186.8559265	0.29
189.045166	0.87
191.0058594	0.82
191.999115	0.19
193.2136841	0.57
195.5044098	0.20
196.214859	0.61
197.0770569	1.80
199.1776733	0.65
200.9605713	0.67
203.040451	2.33
207.1716309	0.99
209.0540466	0.20
211.179657	2.13
213.3833008	1.01
215.1393738	0.79
217.1159973	1.61
221.0518188	0.76
223.4387817	1.17
227.2026978	0.13
228.1292114	0.20
231.1282959	1.64
236.4651794	0.31
237.1818848	0.99
240.2315674	0.83
241.0614319	0.69
243.343689	0.75
245.3002014	1.47
247.1892395	5.38
249.2922668	0.94
251.2107239	0.27
252.2655945	0.43
253.1642761	1.37
255.2704468	1.37
257.0036316	0.83
258.7877502	0.16
261.1752014	0.71
263.1143188	1.09
265.038269	0.94
267.3813477	1.41
269.2830505	2.06
271.2587585	0.59
277.5370483	0.41
280.6308594	0.24
281.335083	0.61
283.131897	2.13
284.0610657	0.26
285.2695312	1.09
288.0386658	0.26
294.1812439	0.17
295.3672791	1.86
297.0683594	0.43
298.5258179	1.45
299.7945557	2.75
301.2844543	0.54
303.3833008	0.76
305.3857117	4.46
306.0912476	0.24
307.3066711	0.36
309.4569092	0.27
313.2794495	1.71
315.2772217	0.38
317.9067688	0.82
321.093689	0.64
323.2421875	100.00
324.2955322	2.77
325.2022705	0.30
330.0974121	0.42
332.3892212	0.16
340.5538025	0.73
341.5279236	1.73
346.2002869	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	307.08
Annotation	Unknow
Peak:m/z	Relative Intensity
114.8143005	0.15
129.9641418	71.46
130.9794312	2.73
140.0820923	0.17
144.5725098	0.12
147.8785706	0.21
149.2472229	0.42
162.0663910	0.71
174.7851868	0.19
177.0522461	0.98
179.0373535	0.86
191.0640106	0.19
199.0679932	2.42
204.8175964	0.18
210.9029236	1.01
215.3978577	0.13
219.7397156	0.47
231.1977539	1.70
233.2308350	0.68
234.1852112	0.91
235.0647583	0.86
238.3008728	0.86
242.7379456	40.75
245.0670471	0.47
246.6549683	1.35
257.3240662	0.12
260.5859680	3.57
261.4667664	0.53
262.1220703	0.41
266.9645386	0.62
269.6750183	43.54
270.6663818	0.19
273.9622498	0.94
274.6123657	0.08
275.6463623	63.99
276.7337341	0.22
278.8218079	0.20
287.9945068	1.09
288.6007690	0.45
289.3936157	2.17
290.5591125	1.85
291.2600708	0.29
298.6506653	100.00
299.6241760	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
296.1844482	0.07
300.1441650	0.13
306.9661255	0.11
342.4248047	0.16
353.2855225	11.11
354.1480103	0.04
370.2700195	0.05
399.1436768	18.91
401.1384888	0.34
410.3543701	0.06
433.3588257	0.06
443.3026123	0.40
444.3016968	0.17
481.1339111	0.46
518.1829834	100.00
519.1083374	0.08
528.2828369	0.15
532.3718872	0.09
543.1715698	0.13
546.3804321	0.22
549.6005859	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	609.1886
Annotation	Atalanine
Peak:m/z	Relative Intensity
206.8823242	0.27
231.3799133	0.47
249.0016479	0.72
265.9851074	0.26
267.1912842	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	745.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
221.8697205	0.39
232.7363739	0.05
235.1374207	0.90
241.2690430	0.17
259.3309631	0.24
263.1681519	0.07
264.3048706	0.17
281.3022461	0.13
286.7555237	0.08
287.3589783	0.09
299.3739319	0.16
300.0478516	0.20
303.5745239	0.34
305.1732788	1.31
307.2304382	0.09
326.7111816	0.23
340.9917297	0.51
342.1023560	0.11
349.2567139	3.89
350.3031616	0.41
367.1551514	0.31
385.4167480	1.37
387.4852905	0.10
403.3530273	37.96
404.4484253	9.50
425.3440552	0.13
445.4521484	0.18
510.7793579	0.28
524.3822632	0.27
547.3160400	9.49
548.2731323	1.40
565.3956299	100.00
566.4639893	28.86
583.4589233	8.32
584.4863892	2.90
616.8878174	0.09
617.7014771	0.25
625.4885254	0.22
631.7660522	0.20
662.2598877	0.11
666.0975342	0.07
680.6847534	0.16
685.3539429	0.13
709.6355591	0.07
710.5556641	0.06
715.6761475	0.06
725.6203613	0.13
727.3770142	84.83
728.4900513	20.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	359.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
123.0013580	0.05
139.8682861	0.67
145.1116333	15.16
158.9430847	0.07
167.2532043	0.13
182.0296326	0.05
184.8706512	0.04
196.1040649	0.56
202.7136230	0.03
206.2245178	0.04
213.1605225	1.67
221.1527100	0.10
222.1384888	0.05
223.1321411	0.50
226.2740173	0.04
227.0992126	0.31
228.0364380	0.06
231.0405579	0.75
240.2076111	5.57
241.2974854	0.21
243.2689209	0.07
245.2524719	0.18
253.4450684	0.09
257.0531006	0.11
258.1715698	0.71
262.2575684	0.37
263.1548157	0.17
267.2057190	0.21
268.1045837	0.07
277.0399780	0.11
279.1914368	2.11
280.3537903	0.87
281.2232056	0.09
285.1406250	0.03
287.0689697	0.04
291.2253723	0.63
294.1853638	1.37
295.1737671	0.88
296.2323608	8.95
297.2133789	0.62
298.3035278	0.44
313.2565308	100.00
314.2989502	2.38
315.3082275	0.43
316.1680298	0.06
323.4923096	0.05
331.2223816	33.93
332.3158264	0.12
333.0708923	0.16
340.9613647	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	225.15
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
80.8723450	0.18
84.9814377	2.49
95.0610504	0.55
96.7667236	0.26
98.9991150	0.09
99.9967346	0.18
101.0716553	0.08
102.9239197	1.26
105.0779266	0.65
110.9615479	0.81
115.0481415	0.12
117.9224091	0.22
123.0134735	22.21
125.0219727	0.14
128.8049469	0.12
133.2839050	0.20
137.1089935	0.49
139.1700287	0.21
140.9704132	0.05
146.9557037	2.09
148.7889099	0.85
150.9830475	0.30
153.1620026	0.52
155.1376801	0.14
158.7775574	0.27
161.1574402	0.72
162.1398010	0.05
164.9938507	0.73
166.9350739	0.63
168.9901276	1.07
179.0083008	1.71
181.1337128	1.20
181.8964233	0.05
183.3938446	1.47
184.0157318	1.71
189.2017517	3.30
194.2583771	0.12
196.9355621	1.20
197.5472412	0.08
200.6739349	0.07
201.9541016	0.10
204.2099915	0.28
205.0819855	0.30
207.1568756	100.00
208.2454987	1.53
209.2977753	0.16
216.1305389	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	649.1007
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
181.9377289	0.36
183.0377045	1.37
185.0533447	0.06
189.0764465	0.14
195.1497955	0.06
196.7933807	0.41
209.1425018	0.14
212.9599915	0.06
217.1384735	0.13
220.1830902	0.04
223.1697998	1.13
225.2270966	0.15
231.0344391	0.08
234.1171417	0.38
235.1150970	3.23
237.0448151	1.50
238.3447266	0.09
239.2036438	0.07
241.0218201	0.41
246.9812469	0.07
247.9440308	0.14
252.0282898	7.40
254.1249542	1.51
264.1603088	0.17
266.2205811	1.81
269.0982056	1.00
272.2501526	2.75
280.0215149	0.67
286.2133789	0.16
287.8085938	0.12
292.2133179	4.80
298.1817017	0.14
300.9989624	3.09
304.0653076	0.77
306.1641235	5.57
306.9358215	0.03
310.1535645	24.27
324.1215820	0.17
326.1408691	0.38
338.2250977	4.25
342.1513062	100.00
344.1989136	63.27
349.3937378	0.17
351.3280029	0.09
359.3900146	0.05
360.1950073	0.19
366.1261597	0.14
367.4110107	0.11
376.1508179	45.19
391.1319580	1.08
393.1661377	0.05
399.1838379	0.32
400.1759644	0.11
401.2496948	0.03
411.1332397	0.16
463.0825806	0.20
483.7587891	0.11
502.4146118	2.03
508.4974976	0.08
511.7531738	0.29
520.2639771	55.00
521.5036011	0.07
547.0479736	0.36
547.6661987	0.33
548.4116821	0.22
550.0734863	0.21
556.3861694	0.35
560.3057251	0.15
565.3099365	0.21
574.3707886	0.11
576.2675171	0.07
585.5492554	0.39
587.3064575	0.09
592.5746460	0.18
597.2761841	0.19
605.2368774	0.29
611.3076782	0.08
613.2310181	1.46
613.9445190	0.11
631.2500610	42.82
632.2123413	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	701.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
211.5037079	0.03
215.2215576	1.40
216.2013550	0.61
217.3006592	0.05
221.2225952	0.07
227.0716248	0.10
229.2339783	0.18
230.5887604	0.03
235.1854858	0.15
236.0843811	0.03
237.4438171	0.03
239.3691101	0.03
240.3429871	0.05
257.0485840	0.31
259.5774536	0.06
261.3330383	0.02
263.1955566	0.63
264.1124573	0.25
265.1729736	0.07
267.3837280	0.09
269.1006470	0.10
278.2581482	0.02
279.3415833	0.02
280.1908875	0.10
281.3329163	0.17
282.5516357	0.10
285.2241821	0.17
286.0211182	0.05
305.2938538	0.08
306.2499390	0.12
310.0695190	0.07
323.6087952	0.16
324.4109497	0.18
325.6062622	0.07
341.3781128	0.02
342.2968750	0.11
343.3844604	0.33
344.3770752	0.51
359.3826294	1.27
360.4453735	1.88
361.5321655	0.20
373.1823120	0.14
377.3858643	3.33
378.2760010	4.44
379.4348145	0.77
383.7264404	0.05
391.7185059	0.05
392.5552368	0.22
401.5286255	0.07
402.4978027	0.26
403.5574951	0.02
416.4182129	0.13
474.2531738	0.07
503.4880981	0.18
504.3704224	1.22
505.5261230	0.32
521.4367676	8.11
522.4634399	25.62
523.5078125	4.66
524.6752930	0.03
539.4223022	26.08
540.4453125	100.00
541.5465698	19.64
542.5288086	0.16
554.5795288	0.08
564.5269775	0.31
565.2661133	0.02
581.5895386	0.02
582.4494629	0.30
583.4398804	0.12
594.5364380	0.03
610.4264526	0.01
655.5586548	0.03
666.5784302	0.54
684.4605713	18.20
685.4392700	4.12
686.2130127	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.11
Annotation	Valyl-Glycine
Peak:m/z	Relative Intensity
59.8210297	0.74
69.9723663	2.92
89.8685226	0.17
96.8877564	0.11
111.9018402	100.00
113.8058624	0.11
114.8557587	2.70
115.9714203	1.63
128.9880676	97.54
130.0157776	1.01
133.2184448	0.09
134.0198822	0.10
139.1089020	1.91
139.7236786	3.41
140.3812866	0.06
157.0262146	32.34
158.0568085	3.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	264.07
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
174.0754700	2.89
194.1329193	0.42
200.0853882	9.02
209.0930634	1.53
217.0965424	1.37
218.0886993	1.17
222.1117706	0.30
228.0543060	15.71
246.0991821	100.00
255.5386963	2.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.283
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
149.0262146	100.00
149.9441071	38.39
166.9468384	25.06
168.1832581	33.07
217.176239	17.70
227.0497131	4.05
229.004303	6.62
245.1937561	16.60
257.2302856	6.02
259.6807861	12.57
261.8158875	10.33
280.0049438	27.60
333.1703491	15.85
347.1174011	12.74
348.0120544	18.11
373.7941589	27.19
383.7669678	6.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	588.9
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0904541	0.11
245.0209198	0.55
272.9483337	5.30
273.9024658	0.70
275.1188965	1.16
359.1256104	0.14
360.4757080	0.05
388.6509399	0.66
426.9944458	1.39
428.0864868	1.85
429.1681519	4.37
430.4312744	0.07
431.1453857	0.15
444.2520142	0.10
455.8222656	0.12
472.8900757	0.97
473.8964844	2.05
475.0806274	4.73
501.0948486	0.77
502.1370850	0.11
504.1910400	0.06
516.0783081	0.09
519.0106812	0.11
530.1698608	0.27
541.8982544	100.00
542.9081421	90.08
543.6832886	0.50
548.8877563	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	381
Annotation	Unknow
Peak:m/z	Relative Intensity
130.5826111	0.21
212.8436737	1.14
278.9845581	0.11
290.2244873	0.23
294.7421570	0.17
296.7854309	100.00
334.6119995	0.52
335.2535706	0.34
352.0978699	0.63
362.1492004	12.27
363.2202454	2.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	593.1511
Annotation	Scutellarein 7-neohesperidoside
Peak:m/z	Relative Intensity
167.0171051	0.03
167.9860687	0.01
169.1195984	0.15
170.0696716	0.01
171.1079407	0.08
173.0781097	0.01
179.1892700	0.04
180.2944946	0.01
180.9364166	0.01
182.1177826	0.10
183.0697784	0.18
184.0691223	0.06
185.1178894	0.18
186.0137634	0.01
187.1418762	0.36
188.1398621	0.08
189.2671204	0.13
191.1932983	0.03
192.2177124	0.03
193.1317596	0.01
195.1379242	0.26
196.1241455	0.15
197.1642456	0.28
198.2788086	0.11
199.1667786	0.37
201.1496582	0.07
202.3509827	0.02
203.2314911	0.03
206.1658783	0.01
207.1891174	0.01
208.2651978	0.04
208.9685516	0.09
209.9751434	0.01
211.0889893	0.58
212.1098022	0.16
213.1942139	0.71
214.1437988	0.17
215.2194824	0.13
216.1590576	0.04
217.2580719	0.07
219.3543396	0.01
222.4958954	0.02
223.1587219	0.23
224.0957031	0.07
226.1702881	0.11
227.2374420	0.85
228.0758362	0.08
229.1758728	2.46
230.2191315	0.34
231.3572845	0.01
233.3479309	0.01
237.3055115	0.02
239.1108856	0.73
240.1262512	0.44
241.2379456	0.87
242.1884613	0.19
243.1452332	0.31
244.2994080	0.01
250.0881348	0.01
251.0198364	0.02
253.0843353	0.02
255.0650635	1.44
256.1670532	0.79
257.2160034	3.72
258.1302490	0.48
259.0768433	0.01
263.0802002	0.01
265.2608643	0.01
267.1787415	0.98
268.2027893	0.22
269.0752563	0.05
269.9966125	0.00
271.1809692	0.10
272.6560669	0.07
279.2420959	0.01
281.2493286	0.02
283.3257141	0.65
285.0658875	100.00
286.0942993	14.16
286.7007141	0.03
295.3623657	0.01
296.3620605	0.01
297.3648682	0.05
298.0702820	0.05
299.1368408	0.34
300.1075439	0.06
311.3512268	0.02
312.2232666	0.02
313.2766724	0.03
314.0351257	0.01
314.9526978	0.01
324.3635864	0.01
325.3138428	0.08
327.1684570	2.94
328.2130737	0.39
330.2550659	0.01
335.2695923	0.01
339.3211670	0.02
351.5557861	0.04
352.3761597	0.04
357.2630005	0.66
358.2652588	0.10
367.3009644	0.01
370.3289185	0.01
387.3544312	0.03
393.2037964	0.06
393.9885254	0.01
403.3214111	0.01
411.3057251	0.05
412.3263550	0.03
413.6071167	0.02
421.7373657	0.02
423.5555420	0.01
429.4468994	0.05
430.3255005	0.01
431.2531738	0.04
435.3856201	0.03
438.0250854	0.02
441.1982422	0.02
445.5712280	0.01
447.2048950	0.17
448.4417114	0.08
473.2353516	0.04
492.2871704	0.03
497.3248901	0.04
500.4347534	0.03
507.6005859	0.04
513.3958130	0.07
515.9622192	0.01
525.5463257	0.03
530.1889648	0.03
533.4994507	0.07
534.5236206	0.03
540.2435913	0.01
547.1589966	0.06
548.3335571	0.01
549.4531860	0.02
565.4771729	0.31
566.4602661	0.13
575.2207642	0.25
576.2820435	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1071.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
326.0462646	1.00
444.5836182	1.87
457.6551514	0.83
532.3459473	0.41
566.5004883	0.76
606.5952759	1.67
619.4747314	0.20
620.8709717	0.46
627.5979004	1.56
650.1904297	0.25
651.0582275	1.70
652.3579712	0.42
659.5166016	0.58
679.4016113	0.46
791.4649658	0.61
796.0062256	1.07
808.4813232	2.94
809.2478027	1.00
814.2116699	0.32
846.3334961	1.16
848.7916260	0.43
864.8729248	0.75
866.1287842	0.45
903.2841797	1.27
910.5908203	2.34
915.2198486	0.50
919.4321289	1.18
922.9062500	0.53
929.1649170	1.36
930.8796387	0.38
935.5178223	0.23
943.1153564	5.75
953.9869385	0.78
957.1020508	0.38
960.2698975	0.56
971.3664551	2.29
981.6883545	1.04
985.3828125	2.73
986.2363281	15.72
990.5407715	30.59
991.8798828	0.55
994.8000488	2.71
996.0726318	4.45
996.6746826	14.00
997.4274902	2.85
1003.3527830	1.82
1011.0061040	2.10
1013.5322270	3.78
1014.6241460	10.64
1015.3669430	1.20
1017.6104740	9.58
1018.8176270	47.25
1019.6030270	0.35
1021.0332030	1.81
1024.5454100	42.08
1026.3127440	1.05
1027.4084470	0.35
1030.5109860	1.56
1032.2424320	6.13
1032.8513180	0.21
1034.5338130	9.30
1035.9804690	0.61
1038.3946530	12.70
1039.2807620	6.40
1041.0794680	7.60
1042.0487060	4.37
1043.5473630	0.25
1045.5034180	7.63
1047.5943600	2.66
1049.8380130	47.17
1051.3582760	7.72
1052.2476810	3.13
1053.2819820	1.40
1053.9750980	0.40
1056.4890140	1.76
1058.2420650	5.66
1060.4040530	15.42
1061.0401610	4.96
1071.6955570	0.25
1080.8264160	3.26
1083.9754640	10.29
1084.9451900	0.53
1085.8745120	1.67
1088.5688480	4.24
1090.6347660	1.21
1097.2331540	0.72
1102.4722900	3.21
1105.2363280	1.07
1107.7214360	0.57
1113.5662840	7.93
1118.8896480	2.52
1139.3732910	2.10
1157.6174320	3.34
1159.6409910	15.24
1160.5578610	2.05
1162.2546390	0.69
1163.8070070	0.76
1167.2781980	0.89
1172.1071780	3.78
1173.7476810	1.07
1179.4730220	2.32
1180.6998290	4.63
1186.0781250	2.09
1202.4038090	2.42
1206.5599370	1.35
1211.9525150	12.95
1213.6257320	2.11
1214.5085450	1.15
1219.6142580	4.16
1221.3820800	1.77
1221.9836430	2.65
1229.8266600	0.41
1234.6276860	1.19
1242.0764160	2.43
1242.8602290	2.07
1245.4283450	1.68
1247.7531740	2.33
1251.9266360	4.60
1253.0167240	0.53
1256.5913090	2.23
1257.9862060	9.71
1259.8430180	1.24
1273.9348140	0.81
1276.8181150	4.03
1278.2712400	12.99
1283.1081540	1.78
1284.0324710	0.25
1288.3880620	5.97
1289.8905030	3.10
1295.2106930	2.43
1303.5090330	2.35
1305.3532710	2.14
1308.0810550	1.00
1311.0256350	0.41
1314.4804690	16.24
1315.0860600	9.11
1315.8363040	1.28
1319.9179690	65.61
1320.6512450	82.57
1328.0556640	34.11
1328.7207030	6.33
1342.8470460	1.72
1345.5107420	2.18
1346.9229740	1.49
1352.5240480	15.51
1357.7889400	42.50
1358.5213620	13.12
1359.1262210	0.66
1359.7882080	4.30
1360.8751220	0.40
1361.5183110	2.88
1365.3714600	16.67
1366.0084230	16.37
1367.2735600	2.07
1369.0579830	1.11
1372.4880370	0.58
1381.4237060	1.26
1385.0023190	22.21
1390.3331300	1.52
1391.1429440	3.76
1394.7259520	5.35
1398.8123780	1.83
1427.4981690	1.62
1462.6112060	1.52
1513.1019290	1.48
1541.6824950	0.28
1548.0278320	0.43
1553.9034420	1.12
1556.5501710	0.60
1561.7845460	1.75
1576.5064700	1.41
1585.8192140	1.00
1633.5244140	1.50
1638.6663820	0.69
1643.6793210	0.43
1660.4055180	1.00
1687.2523190	1.01
1714.5367430	0.43
1722.8236080	2.05
1741.4605710	1.15
1753.0770260	0.60
1774.2170410	0.78
1784.4396970	0.47
1785.2653810	0.48
1798.5504150	2.44
1803.1954350	0.60
1819.2130130	1.24
1828.3890380	1.45
1836.2536620	0.66
1843.5867920	0.38
1845.0291750	0.30
1846.2864990	4.10
1857.1657710	10.15
1860.3560790	0.23
1861.4407960	3.24
1862.3923340	0.28
1865.9698490	0.97
1872.2261960	5.80
1874.8405760	2.28
1876.8441160	0.28
1879.0186770	3.46
1880.3148190	3.89
1881.3658450	0.65
1889.4190670	2.51
1893.6402590	5.08
1895.1745610	0.48
1901.4310300	0.79
1903.7899170	1.53
1905.2789310	0.28
1914.0412600	0.42
1916.1910400	20.64
1921.1901860	0.69
1923.2130130	2.49
1925.4881590	0.92
1927.7354740	1.70
1929.0677490	6.50
1929.8265380	0.38
1930.6307370	0.48
1933.1783450	2.94
1934.9332280	0.66
1936.3944090	5.14
1940.2642820	1.27
1945.5172120	1.67
1947.2142330	2.21
1948.1944580	0.33
1949.0745850	1.95
1949.8599850	0.86
1952.4952390	1.54
1957.1900630	4.06
1959.7395020	14.51
1961.0225830	1.33
1961.8492430	0.81
1964.3426510	2.08
1965.3731690	1.61
1966.0003660	1.57
1968.5111080	4.16
1969.5594480	9.28
1970.5577390	100.00
1974.4348140	0.78
1976.3590090	0.61
1977.3068850	1.07
1978.8952640	3.21
1982.3508300	1.46
1983.1320800	7.86
1984.1033940	76.95
1984.7489010	1.17
1985.4089360	0.59
1987.8221440	1.01
1989.2222900	0.32
1990.4857180	5.80
1991.5018310	0.68
1993.8688960	4.12
1994.8624270	0.28
1995.6295170	3.92
1996.9099120	1.53
1997.9300540	0.25
1998.5704350	1.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
93.0458069	0.47
98.1989288	0.18
99.1637573	0.14
100.9926910	0.71
107.0599976	0.52
107.9552155	5.00
108.9329987	9.68
112.8999557	1.05
119.0501633	0.10
121.0822754	1.38
122.4260788	0.31
123.1170959	1.31
127.0065384	0.08
128.9598083	0.60
133.0110779	0.56
134.0197449	0.19
134.9749146	0.92
136.0759735	0.56
137.0272369	0.33
138.8350830	0.13
143.1044159	0.32
146.8268585	0.11
149.1226196	0.56
151.0183716	6.70
151.9809570	39.83
153.0673218	100.00
159.1489868	0.23
160.9315033	0.60
162.0996246	0.14
162.9358978	9.38
163.7704926	0.16
165.0462341	15.01
167.1544495	0.20
175.0442810	0.32
177.0489960	0.62
178.9797668	3.27
181.1768799	2.55
189.0248413	0.23
191.0668640	0.06
193.0912170	2.75
195.1020355	4.13
205.1477661	0.21
207.0367737	3.10
209.0963440	0.16
217.0621338	0.79
219.1785583	0.97
220.2893677	0.07
225.0960999	6.36
226.0713196	0.17
232.9429626	0.11
237.1239929	1.16
242.9885864	0.29
249.3524170	0.07
253.2745972	0.21
254.0882568	0.19
257.2594910	0.51
267.2872314	0.09
268.1198120	0.32
269.0697632	0.57
271.0750122	0.36
282.9566345	0.35
284.2122803	0.15
296.0635986	0.08
297.0590210	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1430.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
416.3940430	0.19
439.3577271	0.08
443.2453003	0.54
469.5568848	0.07
487.5242310	0.08
512.6213379	0.11
517.6459961	0.12
518.5573120	0.13
542.4675903	0.06
550.8394775	0.04
559.3355103	0.04
560.2250366	0.16
563.3789062	0.19
564.2846069	0.10
572.0250244	0.15
578.4742432	0.40
583.1951904	0.06
619.4703369	0.26
632.5586548	0.33
640.7915039	0.07
647.6866455	0.16
650.4876709	0.07
652.6392822	0.20
686.2286987	0.06
689.1622925	0.20
689.9781494	0.21
715.7506714	0.50
716.4600220	0.08
729.5604858	0.11
736.2235107	0.19
752.3605957	0.10
761.2954102	0.04
778.5422363	0.19
789.6292725	0.06
798.5701904	0.05
831.4378052	0.13
832.5469971	0.08
834.1569214	0.32
846.5119019	0.33
851.6495361	0.29
852.3759766	0.08
864.1479492	0.14
876.0067139	0.05
882.3129883	0.20
896.1010742	0.06
897.8957520	0.12
906.9169922	0.18
919.5142822	0.15
924.5026855	0.20
935.7697754	0.20
972.1848145	0.22
975.6992188	0.24
989.1806641	0.33
995.1204834	0.09
997.8054199	0.12
999.4851074	0.31
1004.6744380	0.12
1010.3377690	0.14
1019.8409420	0.11
1032.7114260	0.23
1046.3560790	0.18
1047.6641850	0.06
1062.3981930	0.06
1069.1691890	0.10
1070.6418460	0.13
1079.1757810	0.28
1096.7268070	0.14
1105.0539550	0.31
1111.4086910	0.04
1113.9509280	0.22
1114.5541990	0.24
1122.6522220	1.19
1127.8541260	0.66
1131.7314450	0.12
1139.2493900	0.11
1146.3796390	0.14
1155.6328120	0.31
1157.1968990	0.47
1161.3923340	0.14
1162.8913570	0.08
1166.3488770	0.54
1174.4606930	0.54
1176.7253420	0.17
1183.7473140	1.05
1191.2189940	0.22
1192.3857420	0.21
1202.6492920	0.15
1205.6472170	0.90
1207.2971190	0.25
1209.8723140	0.35
1211.2067870	0.09
1212.7800290	0.09
1213.4892580	0.07
1214.0897220	0.27
1218.2824710	0.18
1221.0875240	0.58
1222.1293950	0.21
1224.0734860	0.97
1228.2304690	0.10
1229.3745120	0.90
1230.4611820	0.46
1231.6743160	0.22
1233.2700200	0.39
1233.9218750	0.65
1235.5247800	0.31
1237.3979490	0.22
1240.3786620	0.86
1241.2286380	0.30
1241.9681400	0.60
1243.0689700	0.34
1244.1718750	0.75
1246.8348390	0.93
1248.1102290	0.66
1249.6605220	0.60
1251.3105470	1.33
1253.4636230	0.63
1254.5939940	0.52
1256.1549070	0.23
1257.5307620	0.28
1258.6877440	0.69
1259.3615720	0.31
1260.8343510	0.51
1262.6904300	2.09
1263.7128910	1.43
1264.7402340	0.37
1265.4884030	0.44
1266.2780760	1.00
1267.0432130	0.69
1268.2460940	1.72
1269.0312500	1.18
1270.9121090	0.24
1272.5812990	1.15
1273.6657710	0.22
1275.5554200	0.50
1276.9289550	0.36
1278.0877690	1.17
1278.9694820	0.29
1279.5803220	0.48
1281.1890870	0.71
1282.8818360	1.26
1283.8872070	0.59
1284.4985350	0.06
1285.2089840	0.26
1286.6437990	2.61
1287.4583740	0.90
1288.4443360	0.64
1289.8624270	0.11
1291.0354000	0.85
1292.7810060	2.79
1293.5700680	0.72
1294.7984620	0.60
1296.6529540	1.63
1297.5917970	0.99
1298.6997070	2.12
1299.9028320	2.19
1300.8168950	0.15
1301.8734130	0.92
1303.3403320	1.03
1304.4786380	0.91
1305.4512940	1.47
1306.2001950	0.60
1306.9218750	0.19
1308.0610350	0.23
1308.9450680	0.99
1310.0229490	2.42
1310.7739260	0.14
1311.6295170	1.33
1312.3190920	0.06
1312.9570310	0.23
1314.9858400	4.42
1316.0488280	2.44
1317.2064210	2.26
1318.1037600	0.59
1319.0584720	0.77
1319.7814940	0.19
1321.0952150	6.76
1321.8151860	2.60
1322.7915040	0.72
1323.5261230	0.94
1324.6425780	1.39
1325.7490230	2.76
1326.5307620	0.32
1327.1909180	0.21
1328.3503420	1.44
1329.1459960	0.16
1331.0600590	3.51
1331.8446040	0.12
1333.0319820	3.37
1333.6931150	0.18
1334.4771730	1.27
1335.6614990	0.72
1336.7395020	0.84
1337.3701170	1.88
1337.9787600	2.37
1338.8396000	0.66
1339.7968750	0.32
1340.7110600	1.87
1342.0622560	0.24
1343.3066410	3.47
1344.1560060	2.25
1344.9996340	0.21
1346.1152340	0.17
1346.7641600	0.29
1347.9765620	2.13
1349.2587890	4.42
1350.4682620	1.62
1351.5271000	0.35
1352.8996580	2.41
1353.9084470	4.47
1355.0881350	10.08
1356.0583500	0.90
1357.1464840	0.58
1358.0578610	1.30
1359.4331050	4.18
1360.1445310	4.80
1361.3652340	0.94
1362.2092290	2.13
1363.4483640	1.84
1364.3933110	0.29
1365.6123050	1.94
1366.5678710	2.29
1367.3846440	0.53
1368.0368650	0.93
1369.1826170	4.78
1370.1485600	1.61
1370.9624020	2.30
1371.9975590	4.45
1372.9238280	2.27
1374.5780030	9.25
1375.5371090	6.33
1376.8974610	4.67
1377.9683840	11.36
1378.7075200	6.66
1380.5157470	9.67
1381.1977540	20.69
1382.3391110	3.97
1383.2895510	7.51
1383.9941410	4.15
1385.3431400	0.52
1386.5012210	34.04
1387.1784670	26.02
1387.8510740	2.19
1388.6503910	0.32
1389.5974120	0.07
1392.1838380	16.84
1392.8579100	100.00
1393.9006350	2.72
1395.1058350	1.02
1395.9523930	2.81
1397.0659180	0.16
1398.7637940	4.83
1399.4340820	1.10
1400.8264160	0.08
1401.9443360	0.67
1402.8197020	1.66
1403.7907710	2.72
1404.7725830	5.99
1405.6070560	0.34
1407.1655270	2.83
1408.0521240	0.87
1409.1394040	0.24
1409.7601320	2.68
1410.5267330	7.80
1412.8422850	9.81
1413.6372070	7.22
1414.8463130	2.01
1416.0502930	5.63
1416.7462160	2.09
1417.4064940	0.74
1418.7166750	4.39
1419.5234380	4.54
1424.0742190	0.13
1425.5593260	0.06
1437.9464110	0.36
1443.3995360	0.15
1449.7447510	0.04
1457.7086180	0.15
1461.4720460	0.12
1462.8065190	0.33
1466.5164790	0.07
1471.7635500	0.04
1473.1492920	0.06
1473.7784420	0.16
1480.3077390	0.38
1481.3363040	0.51
1482.1091310	0.05
1491.3422850	0.12
1492.5557860	0.35
1493.3529050	0.29
1495.7697750	0.27
1497.8131100	0.44
1498.8582760	0.06
1507.3294680	0.11
1511.1065670	0.07
1513.8227540	0.03
1515.9558110	0.22
1516.8197020	0.52
1518.4859620	0.47
1520.9531250	0.06
1526.9587400	0.32
1528.0355220	0.11
1530.8769530	0.23
1533.9019780	0.21
1535.5759280	0.15
1537.7259520	0.15
1542.6745610	0.45
1547.5448000	0.09
1548.2679440	0.19
1551.0921630	0.49
1554.3872070	0.20
1556.8917240	0.17
1557.7032470	0.07
1563.9693600	0.19
1573.8643800	0.38
1576.1716310	0.11
1578.2110600	0.24
1583.6237790	0.22
1585.6143800	0.16
1595.4200440	0.44
1599.9136960	0.13
1603.8610840	0.08
1604.5325930	0.20
1613.5527340	0.04
1618.4185790	0.39
1626.9821780	0.17
1628.9884030	0.29
1633.6163330	0.14
1634.9552000	0.37
1638.6721190	0.59
1639.4322510	0.08
1640.4111330	0.22
1642.0582280	0.44
1642.9466550	0.10
1644.1306150	0.22
1645.3406980	0.38
1646.2724610	0.26
1648.3387450	0.27
1653.8615720	0.35
1657.9851070	0.05
1658.9625240	0.37
1661.3662110	0.39
1663.6468510	0.47
1664.4539790	0.47
1667.9665530	0.49
1672.0235600	0.38
1675.7181400	0.34
1678.2619630	0.53
1681.2377930	0.38
1685.7657470	0.23
1686.6658940	1.06
1687.9134520	0.12
1689.2576900	0.49
1692.7476810	0.11
1698.8294680	0.43
1699.4660640	0.10
1700.5035400	0.07
1701.9785160	0.08
1703.0657960	0.07
1703.7259520	0.17
1706.4562990	0.12
1707.1127930	0.22
1709.9212650	0.27
1710.7054440	0.43
1712.4324950	1.63
1713.8135990	0.65
1715.1472170	0.17
1716.3928220	0.48
1718.2852780	0.18
1718.9779050	0.03
1719.7855220	0.17
1724.1253660	0.29
1725.2166750	0.40
1727.3065190	0.44
1730.8017580	0.73
1733.1350100	0.15
1735.7501220	0.09
1737.3140870	0.45
1738.1700440	0.29
1739.3475340	0.78
1743.1352540	0.13
1744.1828610	0.58
1746.7512210	0.18
1748.2662350	0.69
1750.5181880	0.35
1751.2120360	0.30
1754.6165770	1.03
1756.3439940	0.60
1757.1085210	0.27
1758.4566650	0.20
1759.6882320	0.09
1761.5754390	0.76
1762.8004150	0.20
1763.9732670	0.37
1765.9473880	0.04
1766.7756350	0.37
1767.8157960	0.36
1770.7318120	0.29
1771.5056150	0.36
1775.0555420	0.04
1775.8190920	0.71
1778.9818120	0.23
1780.7445070	0.17
1782.2502440	0.07
1784.2415770	0.06
1784.9587400	0.09
1785.8514400	0.64
1787.8536380	0.43
1789.1402590	0.25
1792.3150630	0.08
1793.0822750	0.21
1795.3602290	0.31
1798.2174070	1.12
1799.4698490	0.58
1800.9959720	0.78
1802.4810790	0.48
1803.3070070	0.19
1804.0886230	0.52
1804.9141850	0.44
1805.5617680	0.38
1806.6076660	0.32
1807.4459230	0.22
1808.7821040	0.07
1810.6732180	0.04
1812.8093260	0.93
1814.2913820	0.52
1815.9102780	0.77
1818.1270750	0.26
1819.1810300	0.16
1821.0413820	0.85
1822.3087160	0.50
1823.0792240	0.20
1823.6898190	0.20
1824.6330570	0.67
1826.2990720	0.18
1826.9525150	0.32
1829.4049070	0.34
1830.3697510	0.15
1831.2687990	0.18
1833.3225100	0.40
1834.1058350	0.16
1836.2386470	0.36
1839.6163330	0.34
1840.4240720	0.06
1841.4688720	0.68
1842.2557370	0.12
1843.8006590	0.27
1844.9002690	1.01
1845.5764160	0.12
1848.7286380	0.37
1850.6614990	1.59
1851.9144290	0.34
1852.6335450	7.03
1853.7263180	0.45
1854.5360110	0.08
1855.2391360	0.12
1857.4085690	0.34
1859.4544680	0.44
1860.2775880	0.26
1861.4099120	0.37
1862.6535640	0.43
1863.7603760	1.02
1864.8389890	0.04
1865.9471440	0.08
1868.0806880	0.21
1868.8421630	0.05
1871.4637450	0.89
1872.9440920	0.37
1874.3785400	1.11
1875.2263180	0.41
1877.0811770	7.75
1878.0714110	1.26
1878.7878420	1.04
1879.4278560	0.23
1880.1389160	0.55
1881.2004390	2.97
1882.0601810	0.59
1884.5020750	0.21
1885.6203610	0.60
1887.5583500	0.27
1888.3629150	2.00
1889.0611570	0.52
1890.7004390	0.30
1891.8341060	0.09
1892.5928960	0.07
1893.6815190	0.82
1894.5422360	1.17
1896.0140380	0.65
1896.8811040	0.60
1898.6901860	0.34
1900.2525630	0.11
1901.4449460	1.49
1902.2779540	0.30
1903.7233890	0.52
1905.1086430	0.69
1905.8594970	0.65
1907.7933350	0.90
1908.5388180	0.12
1909.2380370	1.14
1910.1779790	0.78
1911.4611820	0.48
1912.4744870	0.18
1914.6990970	0.91
1915.4747310	0.18
1916.1452640	1.18
1917.8277590	0.56
1919.5964360	0.43
1920.2843020	1.19
1921.0992430	0.19
1922.1950680	1.02
1923.3123780	3.23
1924.5076900	2.25
1926.3265380	0.62
1927.6038820	3.55
1929.2967530	0.43
1931.0360110	0.46
1932.7032470	0.16
1933.4608150	0.05
1934.7352290	0.75
1935.7716060	0.68
1936.5958250	0.42
1937.5677490	0.95
1938.8035890	0.49
1939.7146000	0.83
1941.3392330	0.28
1942.2362060	0.16
1943.0393070	0.34
1943.9229740	1.83
1944.5993650	1.05
1945.2550050	4.29
1945.9581300	0.33
1946.6446530	0.58
1947.8431400	1.32
1948.8211670	3.07
1949.6561280	0.34
1950.7078860	0.18
1951.8092040	1.36
1952.8366700	0.39
1954.0335690	1.11
1954.7647710	0.41
1955.6014400	0.30
1956.8854980	3.97
1957.8118900	4.86
1958.6877440	2.61
1959.4710690	0.53
1960.1956790	0.81
1961.1905520	0.05
1962.1861570	1.03
1963.3619380	0.05
1964.7136230	0.25
1966.2525630	6.56
1966.9177250	2.85
1967.6815190	0.98
1970.6441650	2.32
1971.9986570	0.39
1972.8172610	0.37
1973.9388430	1.66
1975.3704830	0.88
1976.4143070	0.36
1978.2469480	0.08
1979.4338380	0.34
1980.0852050	2.00
1981.3824460	2.14
1982.2913820	0.73
1983.1536870	1.00
1984.6058350	0.06
1985.5980220	0.06
1987.7462160	2.05
1988.5720210	0.91
1989.8449710	21.59
1990.6744380	0.07
1991.5247800	0.36
1993.2712400	0.16
1994.1374510	0.20
1995.0279540	0.25
1995.8917240	0.21
1996.7205810	0.30
1998.0255130	3.08
1999.0349120	0.21
1999.7703860	1.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.1582
Annotation	Isoorientin 6''-O-glucoside
Peak:m/z	Relative Intensity
189.1363525	0.05
195.1074524	0.02
199.2050934	0.03
201.0651398	0.03
222.1484680	0.10
229.2293701	0.09
236.3073425	0.06
237.0921326	0.04
240.2062683	0.02
246.9268646	0.06
253.8310852	0.01
255.3312073	0.01
256.0426025	0.05
257.1021729	0.17
263.0442200	0.04
271.5422668	0.02
272.9185181	0.09
284.1105957	0.02
285.1164856	0.03
291.2584839	0.03
303.1160889	100.00
303.9223328	0.01
308.5687256	0.10
313.2445679	0.08
318.2680054	0.02
325.2465820	0.01
327.2609253	0.07
336.7870483	0.03
342.5134277	0.03
345.1430664	0.33
355.1987305	0.03
369.5210571	0.04
381.4612427	0.03
399.1636963	0.09
412.2154541	0.06
413.2618408	0.02
429.1366577	0.17
445.6952515	0.03
447.1884766	0.66
448.4546509	0.34
449.1166382	2.63
465.0537109	28.95
465.6928101	0.30
473.0062866	0.01
479.3792114	0.11
489.3829346	0.05
490.1945801	0.05
507.1018677	0.01
521.3395386	0.04
527.3887329	0.07
546.7986450	0.02
553.6087036	0.02
557.2080688	0.20
565.1903687	0.02
566.8151245	0.02
573.2742920	0.02
574.5069580	0.07
575.1645508	0.27
593.3720703	0.35
604.2128296	0.06
611.3330688	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	251.1384
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
71.94741058	1.01
88.93328857	8.51
98.01335144	0.37
101.0839233	0.21
113.9197998	4.42
115.0431671	1.52
116.926178	1.58
119.3217773	0.14
132.8929443	0.23
134.7425385	0.20
138.0397797	2.43
144.8313293	0.33
157.281601	0.26
163.0339661	5.66
172.9580536	0.63
174.8301544	0.54
181.2646942	0.15
192.141571	6.73
195.1020508	0.30
204.9462738	0.97
207.2573395	0.16
209.6209564	1.77
210.2458344	0.51
211.122879	0.13
213.3030396	0.42
215.0682831	0.40
227.8383026	0.34
233.1095428	2.46
234.1188202	100.00
250.9222565	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	328.1036
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
134.8981171	0.88
135.9171143	0.16
170.7400208	0.15
191.0207214	100.00
192.0368958	1.17
204.1378479	0.05
218.1244812	0.06
221.8791504	0.07
237.2665100	0.06
249.9363708	0.14
263.1472168	0.06
265.1875000	0.04
284.2164307	19.98
285.0714722	0.13
289.4246216	0.06
309.2132874	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
128.1144409	0.13
132.9640656	0.10
135.8903046	0.63
161.1916351	0.61
172.989502	1.82
173.8145599	0.66
179.0415039	6.33
180.0585938	2.58
191.0360718	100.00
192.0667725	39.43
215.1232605	0.18
225.1634216	0.34
228.1759644	0.17
246.1497498	1.13
266.3379517	0.13
270.1640015	0.34
292.058197	0.26
307.9642639	0.83
310.2672729	0.69
315.9233704	0.32
317.338562	0.46
318.2256775	1.20
326.5684509	0.12
335.7996521	0.84
339.1097107	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	281.1394
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
83.13272095	0.10
94.93695068	0.05
101.0284348	0.08
109.7395172	0.06
111.0734329	0.45
119.0355072	0.19
121.0834198	0.24
123.1032867	4.74
133.0428772	0.42
135.2115479	0.18
138.4092712	0.10
139.0646667	0.07
141.2268524	0.03
142.9139557	0.25
145.0899963	0.46
149.9948578	0.18
151.1569214	0.12
153.0261536	0.98
155.3651123	0.03
159.1521149	0.07
161.1776428	0.11
163.1249542	0.12
169.1243286	0.30
171.0722351	9.48
175.2837219	0.06
179.0806274	0.16
183.1207581	0.12
183.9068298	0.08
189.1410828	4.08
193.2103271	0.49
194.8843994	0.05
201.1914062	4.84
207.1207275	6.80
209.2304688	0.04
219.0979919	12.18
221.1190186	0.13
222.4234314	0.07
223.1226807	0.07
235.1236267	1.16
237.1582642	100.00
243.2191772	0.30
243.9215088	0.07
244.7753296	0.04
247.1398315	0.07
249.2405396	0.06
254.1911011	0.06
255.2575073	0.04
263.0255127	1.78
264.9606628	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.82
Annotation	Unknow
Peak:m/z	Relative Intensity
163.0222168	0.65
196.0607452	1.57
262.7626343	0.76
296.2386169	6.82
296.8970947	100.00
324.2737732	6.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	652.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
189.9290771	0.23
193.1620789	0.74
201.3507538	0.19
217.1404114	1.33
218.2319641	0.26
220.8775482	0.47
233.0740204	0.15
234.2981415	0.30
235.2107391	0.55
237.1235962	0.17
242.1215515	0.18
245.0568695	1.09
246.1747131	1.07
247.2333679	0.53
248.3653870	0.22
252.2797546	0.19
261.1166382	0.66
262.1063538	0.20
263.0331726	0.83
264.1888428	0.21
275.1765137	0.05
312.3943481	0.09
316.3898315	0.06
329.8607788	0.69
330.6731567	0.12
332.1903687	0.19
344.3541870	1.07
345.1882324	0.33
348.3001099	0.04
351.1293335	0.07
359.2823486	0.81
360.2322388	0.56
361.4476929	0.14
366.8535156	0.08
367.5233765	0.14
376.1747437	1.31
378.3739014	0.04
380.9934082	0.47
384.4813232	0.09
389.1124268	0.08
390.3112183	0.10
391.5195312	0.14
394.7457275	0.06
402.2348633	0.12
407.4609375	0.22
408.3591919	0.11
416.2566528	0.24
417.0233765	0.28
421.4677734	0.11
425.5861206	39.31
426.6516113	3.42
429.1901245	0.15
430.4235840	0.31
436.2501221	1.09
443.7960815	0.25
445.3208008	0.18
457.3304443	0.19
458.6091919	0.07
463.2828979	0.24
464.4122314	0.33
471.3948364	0.07
472.1434326	0.06
476.8657227	0.20
481.9871826	1.27
483.0023804	0.62
486.7489624	0.46
488.5443726	0.13
491.3184204	2.27
492.4682617	0.51
497.4415894	0.16
499.1445312	1.02
500.0432739	0.71
500.9639282	0.14
504.3836670	1.23
506.3734741	3.89
507.4928589	1.89
508.9353027	0.24
509.5701904	0.15
512.3907471	1.07
513.5130005	1.64
517.3335571	0.46
522.3999023	0.04
523.5073242	0.57
527.9598999	0.53
532.3594360	0.79
533.0236206	0.47
534.4637451	0.17
536.8648682	0.09
537.8514404	0.82
539.5278320	0.09
540.4852295	1.07
541.2691040	0.22
543.7185669	0.67
549.1561890	3.31
551.4227905	0.45
554.9430542	0.35
562.2479858	0.49
564.8585815	1.21
566.6149292	0.67
567.4467163	0.09
568.3760376	0.41
570.8618164	1.69
571.7656860	2.99
574.4199829	1.74
575.4671021	0.61
576.9639282	10.29
577.5905762	56.46
578.8786011	0.58
580.7849121	10.71
581.7461548	1.63
582.5057373	0.28
584.9063110	0.19
586.8054810	68.66
587.8021851	4.19
588.8176880	1.14
589.9992676	0.81
590.7160034	0.04
591.8612061	0.27
592.5960693	0.31
597.2116699	0.74
597.8184814	1.24
599.3992920	0.49
601.4955444	0.05
602.5035400	0.08
603.2214355	0.16
604.2954102	4.67
605.3885498	5.91
606.5700073	3.10
607.4992065	0.36
608.1730347	0.10
609.8488159	5.63
610.7745972	0.25
613.7111206	1.06
614.5278320	0.24
616.2520142	0.35
618.9334106	9.13
619.7734375	2.17
620.4816895	0.81
622.1507568	0.22
623.3819580	2.79
625.4410400	0.28
626.6322632	0.28
627.7205200	5.85
628.7872314	1.56
630.5823364	1.44
633.4566650	0.12
635.2416382	1.06
636.1555786	0.36
636.7996826	0.26
637.9843750	0.37
638.8707886	0.29
639.6168823	0.11
641.3436890	0.94
643.2940063	0.07
643.9769897	0.26
644.6302490	0.12
658.2431641	0.77
659.0705566	1.32
659.7591553	0.10
663.4283447	0.83
668.2141724	3.23
669.3934326	0.48
672.7034912	0.21
676.9230347	0.08
682.3811646	0.62
683.8218994	0.20
685.2654419	0.19
686.4964600	2.79
687.5399170	0.62
691.9207153	7.72
692.6824341	1.63
695.2955933	1.11
696.0780640	0.82
701.0996704	15.08
701.8807983	2.12
702.4879761	0.95
703.7297974	0.40
704.8294678	0.27
706.0162964	0.24
712.6120605	1.07
713.2863159	0.38
714.1299438	0.59
715.5237427	0.04
716.8995361	1.15
717.9517822	0.31
724.5310669	0.03
727.6697388	0.45
729.3665161	0.50
731.0627441	0.15
732.5039673	1.02
733.5779419	0.37
734.5661621	2.70
735.3610229	1.47
736.3079224	0.15
740.6219482	3.15
741.4849243	1.03
742.1505127	0.67
743.5874634	0.26
744.4027100	1.32
746.6219482	0.36
748.3351440	2.84
749.2151489	4.40
750.1520386	27.26
751.4501953	3.59
752.6878052	2.15
753.7341919	1.03
754.7190552	0.71
755.4742432	0.06
756.3234253	0.15
758.5946655	0.15
759.9612427	0.06
760.6533203	0.43
763.0187988	0.17
764.5362549	0.05
765.3446655	0.38
767.5294800	0.37
769.2346191	10.53
770.3077393	3.10
771.0984497	0.03
772.3554077	0.65
773.0917969	0.38
778.6901245	2.67
779.5440063	0.15
781.9515991	0.83
784.2276001	0.04
787.9174194	24.26
788.7466431	5.33
790.3447876	1.07
792.2016602	0.70
793.0507812	0.21
793.7370605	0.11
796.2896118	10.97
797.2119751	4.15
798.0421753	0.54
803.2583618	0.47
805.7684937	1.18
807.4729614	0.09
808.7807617	0.12
811.6885376	0.27
813.4786987	0.19
815.0687256	0.16
819.1173706	0.11
819.8826294	0.03
822.8023682	6.48
823.6448975	2.19
824.5278931	1.37
825.1566772	0.26
827.9068604	0.93
830.1799316	1.75
830.9224243	4.53
832.0768433	1.37
832.8419189	0.31
836.3126831	0.57
836.9891968	1.99
843.5476685	0.03
846.4085083	0.53
849.5818481	35.48
850.6555176	16.72
851.6608887	5.85
852.7763672	0.54
858.5781860	0.13
859.8168945	0.19
861.0139160	2.85
861.7111816	0.19
863.3523560	0.42
865.5297852	2.71
866.2336426	0.54
866.9887695	0.39
870.2755737	1.37
871.3340454	4.56
872.3250122	0.59
872.9292603	0.06
873.9192505	0.53
879.3793945	100.00
880.3965454	29.65
881.3989868	2.28
882.2187500	0.12
883.8239746	0.17
886.7810669	2.80
887.6206665	2.01
888.7942505	0.09
889.9023438	0.10
902.6376953	0.04
907.0055542	0.41
908.7271118	0.08
910.3249512	0.73
911.6445923	0.47
919.6442261	0.11
920.6641235	0.45
921.9558716	0.63
927.6388550	0.52
928.7780151	0.93
930.2514648	0.37
931.9426270	0.09
933.0671387	0.39
936.2443848	0.15
939.8997192	0.08
940.5270386	0.43
941.7421875	0.16
945.6147461	0.38
946.2800903	0.28
952.9301758	0.25
953.9760742	0.45
961.2120972	0.57
962.7733765	0.47
963.8965454	0.29
966.7595215	0.12
970.6801758	0.61
979.7328491	0.20
984.5380249	0.09
994.2319946	0.09
1000.8837280	0.33
1001.8093260	1.77
1002.6999510	0.05
1009.4384770	0.46
1010.3899540	0.17
1011.0715940	0.34
1023.8452150	1.28
1024.7313230	0.25
1036.0925290	0.61
1042.2343750	0.05
1043.8291020	0.05
1044.8852540	0.25
1050.8543700	0.93
1051.6237790	0.56
1060.4002690	0.24
1067.7745360	0.20
1070.6940920	0.09
1071.7675780	0.56
1072.7612300	0.24
1073.6563720	0.51
1107.7806400	0.28
1110.4622800	0.28
1116.0439450	0.15
1119.2644040	0.32
1124.3310550	0.95
1124.9836430	0.68
1125.7202150	0.87
1138.3636470	0.33
1139.0761720	0.12
1139.7955320	0.27
1140.6787110	0.13
1141.7709960	0.05
1156.6677250	0.18
1170.9747310	0.19
1173.3284910	0.13
1174.9005130	0.08
1181.1369630	2.08
1181.9727780	1.32
1182.8641360	0.22
1218.2293700	0.23
1237.0289310	0.05
1243.7879640	0.06
1253.9488530	0.52
1255.0311280	0.23
1255.7408450	0.07
1270.8787840	0.07
1272.0072020	0.07
1279.2069090	0.08
1321.4748540	0.14
1364.0079350	0.16
1449.7531740	0.07
1488.1646730	0.15
1547.6540530	0.08
1587.8684080	0.05
1646.0926510	0.17
1649.9815670	0.05
1674.8033450	0.05
1691.9222410	0.09
1717.6160890	0.13
1728.3820800	0.29
1769.6188960	0.04
1770.3773190	0.16
1777.1081540	0.19
1783.9710690	0.06
1785.3879390	0.34
1795.5153810	0.11
1796.7556150	0.08
1803.9241940	0.23
1804.7635500	0.05
1827.8890380	0.60
1828.8922120	0.11
1831.3341060	1.70
1834.8970950	0.12
1836.4014890	0.27
1841.3039550	0.08
1847.2821040	0.04
1850.3245850	0.25
1853.8079830	0.06
1860.6038820	0.23
1864.6037600	0.08
1865.7662350	0.22
1866.4786380	0.85
1877.6900630	0.10
1881.6048580	0.04
1884.6350100	0.70
1886.7852780	3.15
1888.4095460	0.12
1890.2022710	7.99
1891.9714360	0.08
1894.7235110	2.70
1896.7775880	0.04
1898.0504150	0.40
1898.7824710	0.18
1906.3145750	0.16
1910.4908450	0.22
1912.4146730	0.12
1916.8558350	0.17
1918.3673100	0.13
1919.5484620	0.43
1922.2561040	0.41
1923.8223880	0.26
1925.2769780	0.32
1929.7757570	0.10
1930.8308110	0.13
1932.9307860	0.11
1933.8656010	0.12
1934.6827390	0.03
1935.8659670	0.16
1937.2598880	0.06
1938.0933840	0.14
1939.4813230	0.32
1941.1539310	0.23
1942.1649170	0.16
1943.7263180	0.08
1946.4562990	4.61
1948.2862550	1.49
1949.3802490	4.28
1950.8392330	0.22
1954.3770750	2.58
1955.6638180	4.92
1956.7349850	0.34
1958.9465330	0.11
1960.3905030	0.04
1961.0186770	0.10
1964.5349120	0.79
1966.1412350	1.08
1969.2432860	0.04
1972.7845460	0.36
1973.4849850	0.04
1974.5992430	0.04
1975.5792240	1.72
1976.6319580	5.36
1977.5421140	0.31
1979.0133060	0.24
1979.6307370	10.67
1980.7312010	0.52
1981.5373540	2.09
1983.4454350	0.03
1984.3151860	2.10
1985.7160640	1.15
1986.5147710	2.44
1987.2253420	0.47
1988.8734130	1.57
1989.7635500	8.67
1990.9158940	0.13
1991.9699710	0.60
1993.3908690	1.30
1995.1417240	1.60
1996.9461670	3.82
1997.8292240	0.53
1999.8433840	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	869.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
360.3962097	0.39
368.0805359	0.37
412.4807129	0.28
413.4122314	1.99
451.3612671	0.33
481.4434204	1.34
512.5099487	1.45
517.9241333	1.06
552.1427612	0.34
567.6408081	1.01
569.9910278	1.13
576.3984985	0.45
587.3056641	1.24
604.1937866	2.13
657.5123901	5.38
660.6254883	0.64
663.6297607	0.30
677.0642700	1.50
686.6307983	2.42
691.7380371	7.70
700.6752319	2.38
705.7190552	0.35
706.4692383	2.48
717.1093750	0.59
717.7800903	1.06
718.7330933	1.13
722.8411865	1.82
732.4042358	1.01
734.8842163	2.47
741.0164795	1.21
742.9680176	1.92
749.4688721	5.49
750.2911987	0.80
751.6514282	0.16
752.6689453	1.00
759.5302124	0.26
778.7605591	0.72
787.6077881	7.71
799.4927368	0.80
822.8616333	0.56
830.4672241	1.85
836.6343384	1.79
842.7550659	1.04
843.4946899	0.40
846.8854980	2.08
848.9304810	1.18
850.0200806	2.78
850.9618530	1.34
857.6687622	1.39
858.4127808	1.28
868.9786987	0.24
879.3859253	1.89
886.8713989	0.96
887.6979980	1.42
927.4099121	0.89
928.7202759	1.06
952.9452515	5.74
965.8059082	1.03
979.5496216	2.10
987.9187622	1.45
993.4129028	1.25
1001.7270510	2.03
1023.9407350	0.55
1028.3021240	1.36
1042.2385250	1.70
1043.2158200	1.21
1048.7362060	3.31
1050.9227290	8.43
1057.6340330	2.09
1070.7742920	1.97
1075.1271970	2.41
1085.2788090	1.57
1092.7308350	0.88
1107.1745610	0.86
1109.7631840	1.24
1110.5913090	0.53
1122.9005130	1.58
1124.4532470	3.21
1132.6867680	1.36
1138.7622070	2.28
1139.8272710	1.66
1167.2753910	1.36
1181.2214360	18.45
1215.8692630	0.44
1222.3527830	0.90
1224.9108890	1.95
1226.1970210	0.85
1254.0140380	1.19
1255.1545410	2.46
1486.6378170	0.37
1525.0687260	0.44
1528.8127440	0.37
1545.4876710	0.54
1562.9034420	0.25
1563.5233150	0.28
1574.1778560	0.68
1627.1688230	0.42
1658.3880620	0.91
1691.0142820	0.33
1711.5677490	0.70
1726.6275630	0.28
1733.8854980	0.37
1742.7393800	0.78
1746.8070070	0.52
1758.4689940	0.52
1766.4964600	0.29
1774.6966550	1.24
1781.9295650	0.23
1783.8854980	1.08
1790.7344970	0.54
1801.0015870	0.40
1803.3475340	4.69
1804.8933110	3.83
1818.7180180	1.87
1823.8673100	3.19
1826.5943600	0.24
1832.1888430	0.85
1838.0755620	19.99
1852.5125730	23.63
1861.9190670	0.48
1867.8156740	0.21
1870.9793700	0.23
1877.7484130	2.48
1878.9250490	0.30
1881.4334720	0.33
1883.0583500	1.67
1893.8044430	1.27
1894.8099370	0.82
1900.1668700	0.19
1901.2769780	1.94
1905.3918460	0.53
1907.9766850	0.87
1908.9899900	10.22
1910.8970950	0.67
1911.8206790	1.08
1913.0515140	3.54
1913.9547120	1.27
1914.6309810	6.03
1920.6018070	14.93
1921.5705570	1.67
1922.4910890	1.85
1923.5140380	0.71
1928.4494630	14.90
1929.3260500	1.93
1930.2633060	1.20
1934.4840090	0.21
1937.7009280	0.37
1938.8409420	2.88
1942.4212650	0.33
1943.3854980	0.23
1945.0671390	0.82
1947.0760500	3.47
1947.7019040	0.36
1949.2282710	0.56
1950.1052250	0.26
1952.1739500	2.79
1954.3912350	0.51
1955.1812740	0.75
1956.5828860	2.90
1957.2009280	2.30
1957.9792480	0.19
1959.4112550	5.72
1960.2537840	4.47
1961.6975100	7.12
1963.1903080	55.25
1965.5819090	16.92
1968.0925290	3.14
1968.9909670	0.19
1969.6706540	2.25
1971.0941160	4.38
1972.4051510	1.27
1973.7877200	45.17
1974.7083740	5.99
1975.9490970	4.69
1977.1926270	0.76
1978.7048340	2.41
1980.5637210	100.00
1982.7435300	13.03
1983.9158940	41.05
1984.7209470	2.92
1986.3112790	14.47
1988.5413820	4.19
1989.6827390	13.59
1991.1428220	5.60
1993.3991700	6.70
1994.1124270	0.21
1994.9422610	1.45
1995.5593260	20.13
1996.4670410	1.34
1998.7814940	79.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
93.025177	0.14
95.12550354	0.19
97.12220764	0.38
99.02132416	0.83
109.0833435	0.87
110.9439087	0.69
118.7371521	0.19
121.1533203	0.19
123.1290512	1.08
125.0074615	0.62
127.0490341	0.65
132.9632111	0.35
135.0558777	1.27
137.0735474	1.11
139.0404358	1.50
140.8995361	0.28
146.8430176	0.44
149.075592	0.77
150.9550018	0.59
153.0316772	1.81
154.7776337	1.13
157.1887512	2.24
159.1858521	0.76
161.0432281	1.85
163.2206116	0.48
165.0837555	0.79
167.1772614	0.48
168.9287262	2.55
171.1292877	1.08
173.113327	0.54
174.5379486	0.36
178.8511353	1.10
181.2032471	0.91
183.0016327	3.37
185.2251587	2.28
189.0592651	0.68
193.1453705	1.83
195.144104	0.26
197.184082	7.76
199.223877	3.11
203.2308044	2.74
205.1974182	0.40
207.4236145	0.30
208.2070312	0.17
209.5340881	0.37
211.1565552	5.55
213.2744141	0.53
215.1425171	0.98
219.3364868	0.36
221.0843811	6.56
222.9399109	0.35
225.1813354	3.38
227.2194214	2.19
229.2585754	0.70
233.3586121	4.54
235.2872314	0.16
237.3009949	3.94
238.5629883	1.91
239.2555542	12.94
240.139679	0.46
241.2564087	1.26
243.2496338	3.67
244.3931274	0.33
251.2762756	2.79
253.2085571	1.40
254.6308289	0.43
255.5477295	0.12
257.028595	3.42
261.3729248	2.36
262.4243774	0.27
268.206543	0.25
269.40448	0.43
276.2988281	0.15
278.0274658	0.37
279.230896	100.00
280.2995605	2.36
281.0577087	0.42
297.1202393	1.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.81
Annotation	Unknow
Peak:m/z	Relative Intensity
197.1486816	0.07
206.8807983	0.41
212.8986969	0.59
254.9859924	1.15
267.0255127	0.04
283.1483154	0.08
284.9097595	0.70
287.1007996	0.16
290.8426819	100.00
312.2443848	0.15
314.9323120	0.89
357.0492249	0.48
358.1872559	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2629
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
80.98670959	0.73
83.09210968	0.98
84.79673004	1.39
89.0401001	1.69
90.72464752	0.75
92.98422241	1.33
94.9907074	9.65
97.13288879	3.26
99.27681732	0.49
101.0017242	5.64
107.0651245	2.50
108.9746399	5.78
110.9819031	1.91
114.9306335	7.74
119.056076	0.62
120.9272995	3.65
123.0426788	2.10
124.8770599	2.71
127.1346893	0.32
129.3023376	1.30
133.1373291	7.99
135.0114136	8.72
137.0532227	1.78
139.0813599	1.93
140.9170685	0.43
143.2745819	0.45
145.1398163	0.19
149.1287231	10.92
150.0409393	1.51
150.9945984	2.44
152.8957825	0.60
155.0072479	0.98
156.9562531	1.38
159.3191986	1.21
160.942215	0.49
163.0830688	5.89
165.0526123	1.44
167.1416321	1.88
168.9976654	4.75
171.1365662	1.53
175.2642975	0.77
177.0635376	8.99
179.1012268	1.48
181.206604	0.41
182.8933105	3.69
185.1515808	1.91
189.2881622	0.96
191.1470337	3.55
193.3092957	0.65
195.1060181	4.61
198.1536865	0.24
199.0323792	1.28
205.1448975	1.41
207.0412598	1.28
209.1698914	0.89
211.058075	0.52
213.1634827	2.59
219.1201172	1.27
220.3555908	0.34
220.9886475	1.03
223.1700134	1.62
225.160675	12.07
227.3109131	0.24
229.3388977	0.89
237.1217651	1.34
239.1719971	7.25
241.0471802	3.74
241.8815308	1.76
245.4189148	0.17
247.2396545	40.80
248.149353	1.19
253.2247925	1.00
255.491272	0.91
265.2601013	100.00
266.4754639	2.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	706.4536
Annotation	beta-Chaconine
Peak:m/z	Relative Intensity
206.4904785	0.05
225.3250885	0.05
233.3400269	0.08
253.1480103	0.31
254.2784882	0.12
261.2522583	0.11
270.1595764	0.10
271.8883667	0.09
293.3205566	0.08
323.4593506	0.05
327.2823486	0.07
339.2880249	0.05
340.3941040	0.11
342.2665405	0.13
366.3888550	0.65
367.6029053	0.48
368.4126587	0.16
378.3492432	0.13
380.4256592	4.09
381.5126343	0.67
382.6672363	0.16
383.2803955	0.29
384.1550903	0.10
385.0435181	0.14
396.3980713	0.28
398.4607544	100.00
399.5596924	25.36
454.3318481	0.06
455.0629272	0.14
510.9334106	0.17
511.6845703	0.04
513.6271973	0.19
528.5745239	0.17
529.6655273	0.17
544.6034546	0.08
545.4526978	0.16
560.6176147	51.42
561.6675415	14.91
566.7373657	0.09
574.6174927	0.26
575.7368164	0.30
586.5448608	0.29
587.6080933	0.26
588.7553101	0.10
589.6677856	0.09
602.4500122	0.28
658.5811157	0.04
674.5635376	0.04
690.4977417	0.14
691.7201538	0.18
693.9719238	0.11
697.2810059	0.10
705.9075928	1.94
706.6569214	21.58
707.6185303	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	632.65
Annotation	Unknow
Peak:m/z	Relative Intensity
207.0675507	0.76
296.9738770	0.19
380.8094482	8.74
464.6956787	26.68
541.6929321	0.27
546.5685425	0.26
548.5996704	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.9395
Annotation	Unknow
Peak:m/z	Relative Intensity
115.0877914	0.00
159.0625916	0.38
159.9664307	0.02
200.1473999	0.00
217.2864532	0.02
229.1468506	0.18
230.1964722	0.03
259.4150085	0.00
271.1411743	0.07
273.0133667	100.00
273.9891663	14.07
275.0348816	0.01
299.9586182	0.00
312.8635864	0.01
341.5662842	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
111.0325928	0.11
127.0655746	0.10
129.2145081	0.02
135.0700684	1.13
137.1397705	0.04
144.8317566	0.01
155.03302	0.15
161.0890656	0.36
170.7679291	0.01
173.0602875	6.44
173.6683197	0.02
177.1698608	0.01
179.1034241	6.45
191.0297241	100.00
191.8516541	0.02
217.1289368	0.05
308.1812744	0.01
309.206665	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
96.99868774	0.36
111.015976	0.62
114.9792175	1.39
125.1888428	0.84
142.9185333	2.77
149.0782776	2.04
151.1890869	3.89
154.9703979	1.02
157.049942	0.92
168.4451599	2.01
169.1228333	0.98
171.1936951	2.87
177.2962646	0.67
195.0675049	5.22
197.3540802	0.40
204.8870544	0.49
208.9060364	1.25
211.1234131	4.98
224.9020386	0.58
226.253418	0.94
227.3760071	2.12
239.1233521	1.47
247.1780396	0.76
251.1261597	1.25
253.1681519	10.31
255.1914062	0.97
263.7670898	2.01
264.4517212	1.21
265.4247437	2.58
269.2318115	0.67
275.3128052	19.47
279.196991	1.10
283.4033203	0.71
293.2068481	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.2867
Annotation	Gypsophilin
Peak:m/z	Relative Intensity
179.0423889	0.10
181.0785828	0.08
203.0098419	0.25
219.4410248	0.17
221.1686707	0.45
223.1999817	1.10
224.2251740	0.10
225.3889465	0.09
227.3053131	0.49
235.3959045	0.10
239.2763824	0.09
241.2457733	8.95
242.2471313	1.61
245.0452118	0.42
255.2204895	0.44
263.2525635	0.26
265.4575195	0.17
274.9411621	0.12
277.5040894	0.06
281.1780090	0.04
283.4184570	0.78
297.5902710	0.07
303.3840942	0.26
307.1101074	0.28
308.2025757	0.14
311.0497437	0.27
313.4774170	0.04
321.3723755	0.13
325.2239990	0.08
329.4927979	0.16
331.2863770	0.17
349.4136353	0.10
367.2569580	0.36
368.4197388	0.15
375.2937622	0.08
382.7132568	0.17
385.3291626	16.70
386.3817749	3.36
387.1658936	0.09
403.3618164	100.00
404.3428955	20.11
405.5753784	0.29
417.4201050	0.48
427.3887329	1.25
428.3753662	0.21
443.9943237	0.25
445.5529785	0.60
446.6573486	0.20
451.0674438	0.16
458.2655640	0.06
460.6121826	0.08
473.4236450	0.04
474.2953491	0.10
475.3892822	0.08
485.3757324	0.21
489.9346924	0.12
511.6638184	0.27
517.4008789	0.40
527.9756470	0.12
528.6026611	0.11
529.5492554	1.55
530.6625977	0.09
535.7147217	0.16
543.2050171	0.04
547.4124756	58.02
548.5097046	16.74
549.4813843	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	570.2784
Annotation	Kinetensin 4-7
Peak:m/z	Relative Intensity
213.3038635	0.03
255.5153961	0.08
261.2658691	0.18
312.8466187	0.04
314.1094055	0.03
328.2771606	0.07
345.3367920	0.11
346.4481201	0.07
349.9833374	0.06
353.2653198	0.05
354.2482910	0.13
358.8061523	0.15
397.9725952	0.09
410.5647583	0.15
415.8159790	0.13
421.1453247	0.06
455.3459473	0.15
481.3361206	0.11
487.0159302	0.03
491.1549683	0.18
492.3827515	0.04
496.3816528	0.19
507.2572021	0.05
508.5852051	0.08
510.2915039	0.07
524.4812012	41.87
525.4564209	0.25
526.3240356	0.08
527.6080933	0.13
539.4373779	0.12
547.3605347	100.00
548.6195068	0.22
549.4528809	0.15
550.0576782	0.04
552.0670166	0.11
553.2836304	0.09
687.3656006	0.04
741.7124023	0.15
742.6746216	0.03
887.7086792	0.11
903.6523438	0.34
1049.6003420	6.45
1050.6306150	1.72
1095.2231450	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	fagopyritol B1
Peak:m/z	Relative Intensity
100.9293518	4.75
112.9807129	31.83
118.8813858	10.53
125.0565796	3.55
128.5747375	1.37
130.9263	6.69
133.1137848	1.78
143.0581818	30.28
146.2474976	1.13
148.9859161	1.52
160.9815521	15.40
173.0513306	0.80
178.4241486	8.86
179.0487976	100.00
191.2320251	1.52
217.3871155	0.73
220.9838867	1.86
226.0814819	18.79
238.0223999	3.03
249.1603699	1.65
254.9595947	1.58
283.2933655	3.27
293.101532	2.06
295.1156921	13.17
297.1240234	1.52
307.3674011	0.67
308.874054	1.06
323.0544434	7.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
119.1754532	0.02
121.0342026	0.02
127.0548248	0.01
131.1410675	0.03
143.1004639	0.15
144.0343323	0.01
145.1929016	0.01
149.0330658	0.01
159.3370972	0.01
161.1509857	0.15
163.1736755	1.08
164.0280609	0.11
164.8994904	0.01
179.0203552	0.23
181.1523438	9.67
182.2491150	1.48
183.2318115	0.02
198.3259277	0.03
201.0079956	0.03
207.1261597	4.09
208.2034454	0.71
217.0380402	0.01
225.1214142	100.00
226.1913452	13.93
233.2736816	0.02
243.1456604	1.66
244.1581421	0.20
248.8730469	0.01
249.5953979	0.02
250.2554626	0.01
262.8155823	0.02
275.8830566	0.01
286.2985840	0.02
288.1716309	0.02
289.6589661	0.06
294.1496582	0.04
301.4172363	0.02
311.1339417	0.12
317.9344482	0.02
320.9419556	0.01
321.9549561	0.04
327.4523010	0.01
332.1703796	0.01
336.2070312	0.02
347.1414490	0.03
359.5874939	0.04
360.2185974	0.04
361.5177917	0.10
362.2970276	0.02
368.2035522	0.02
369.8742371	0.21
374.9823303	0.03
378.3742676	0.03
385.4907227	0.03
387.1852722	0.27
388.4571838	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2421
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
93.06328583	0.22
95.03656006	1.17
97.01374817	1.78
98.82106018	0.63
100.9820862	0.24
102.9008255	0.29
106.7631531	0.50
109.2007217	2.41
111.3381729	0.78
118.9643402	0.44
123.0196381	0.79
125.0751266	1.86
126.8469849	0.37
129.0603485	0.88
132.8800659	0.48
135.1107788	0.55
137.0203552	0.44
138.9921265	7.75
142.8845825	0.89
146.8308411	0.87
153.170929	0.96
165.0748901	0.77
167.0698242	0.29
171.0958405	0.34
177.5041351	0.23
178.7478333	0.47
181.3035431	0.58
183.1751556	0.91
186.1468658	0.20
186.9030914	0.35
189.140274	0.32
190.2041626	1.57
192.7250671	0.70
195.3257904	0.67
197.0803833	12.66
199.1199036	0.47
203.3746643	1.37
207.0897827	0.67
211.1875916	2.57
213.2677612	0.63
217.3843384	0.65
221.3295898	5.53
222.4317322	0.26
227.3230286	0.65
228.5988464	0.26
233.2035828	0.42
237.098175	2.60
237.7869263	0.81
239.1340332	25.50
241.1055908	0.29
243.520874	0.33
251.0552979	0.97
253.2422485	4.55
255.1365967	2.40
257.0031738	0.40
261.375885	2.90
269.4406738	0.32
270.3535461	0.34
271.2366638	0.56
279.2369385	100.00
279.8405151	0.27
282.9558716	0.18
296.5331116	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	280.2632
Annotation	Linoleamide
Peak:m/z	Relative Intensity
80.7239380	0.15
82.9122238	0.09
84.8749008	0.05
91.1300888	0.22
92.9521256	0.09
94.9582138	0.56
97.0331039	0.42
99.1072388	0.13
99.9002838	0.14
100.8434677	0.03
104.9424438	0.11
106.1054611	0.07
106.9922028	0.13
109.0894165	0.97
111.0651550	0.18
113.0067902	0.35
113.9483337	1.08
119.1200256	0.13
121.0613785	1.46
123.0451431	1.10
124.0675430	0.15
125.0695190	0.66
127.0184326	0.22
128.0618134	0.94
129.1686401	0.05
133.0569458	0.27
135.1005554	1.90
137.0631714	1.31
138.9513245	0.51
139.8883667	0.17
140.9060516	0.46
141.9823608	1.92
145.1568909	0.17
147.0103149	0.60
149.1080322	2.27
150.9970551	2.23
153.1202393	0.87
154.0680084	0.81
154.9973450	0.17
156.1046448	2.32
161.1175385	1.51
163.2036133	1.08
165.1126556	3.00
165.9087830	0.04
167.0130920	1.08
168.1036682	0.45
170.1502991	2.61
175.1576691	1.51
177.2256317	0.65
179.0697021	2.34
181.1076965	0.50
182.0943604	1.38
184.2215271	2.35
186.3414917	0.03
189.1794434	1.95
191.1667938	0.41
193.1101074	0.46
196.2598572	1.04
198.1683655	2.21
203.1398926	1.35
205.3002930	0.54
205.9307556	0.06
207.1357422	0.23
210.1983948	2.16
211.7656860	0.08
212.3873596	0.08
216.0041199	0.11
217.2563171	0.63
219.2484741	0.44
221.1922607	1.41
224.2449951	1.87
234.1421814	0.36
238.3413696	0.19
245.2302246	44.90
249.1694946	3.04
252.2871094	0.11
263.2131958	100.00
279.4977417	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1085.7303
Annotation	Unknow
Peak:m/z	Relative Intensity
294.8901062	0.04
334.4752197	0.07
335.1994019	0.08
528.7789307	0.10
550.7325439	0.08
662.4262695	0.16
707.5678101	0.13
785.8255615	0.23
925.1466064	0.07
926.0472412	0.07
934.0375977	0.21
936.4426270	0.44
964.8127441	0.38
984.9179688	0.21
985.6903076	0.37
986.7177734	0.78
988.4721680	0.33
991.0771484	0.40
991.9882812	0.28
992.9609375	0.17
994.0778809	0.28
996.8591309	0.61
997.5722656	0.24
999.6995850	1.29
1001.3662110	0.45
1004.1093750	0.17
1004.8740230	0.04
1006.6193850	0.53
1009.2211910	0.42
1011.0782470	0.16
1012.0522460	1.09
1013.4785160	0.42
1014.1757810	0.26
1015.1408690	1.57
1016.5925290	1.09
1017.6982420	1.05
1018.4948730	0.46
1020.4824220	2.21
1021.4400630	0.39
1022.6818850	0.47
1023.5173340	0.95
1024.7535400	0.58
1025.4099120	0.07
1026.1065670	0.66
1026.8745120	1.57
1027.7106930	0.41
1028.6647950	0.04
1029.7360840	0.77
1032.9766850	0.82
1033.6373290	0.43
1035.3740230	0.87
1036.5249020	0.56
1037.6201170	1.38
1038.6071780	1.44
1039.4628910	0.95
1040.1669920	0.93
1041.6695560	2.00
1042.3236080	3.07
1043.7067870	2.87
1044.4497070	5.44
1046.0560300	8.49
1046.8825680	2.69
1048.6535640	12.59
1049.4663090	7.45
1050.7727050	7.73
1053.1599120	40.16
1054.2384030	0.55
1055.3084720	0.20
1056.0021970	0.26
1057.7094730	20.29
1058.7221680	1.15
1059.5314940	0.36
1060.3658450	0.45
1061.0278320	0.33
1063.0783690	0.22
1064.6618650	0.26
1066.6254880	0.61
1068.5703120	0.91
1070.6518550	0.72
1071.3897710	0.59
1072.8625490	1.51
1073.6071780	0.34
1074.3469240	0.39
1077.0915530	0.46
1092.5595700	0.05
1098.2734380	0.05
1120.4270020	0.04
1142.3498540	0.05
1145.3781740	0.02
1146.6152340	0.08
1147.7430420	0.03
1168.8525390	0.24
1171.6350100	0.07
1190.7279050	0.12
1191.4991460	0.12
1199.7828370	0.04
1201.1004640	0.17
1204.5687260	0.22
1205.4287110	0.21
1211.5734860	0.13
1215.9014890	0.45
1217.0383300	0.12
1222.9382320	0.08
1224.5974120	0.16
1238.2620850	0.07
1242.1225590	0.04
1243.4047850	0.34
1244.3242190	0.24
1245.2517090	0.04
1251.4819340	0.58
1252.9562990	0.07
1254.8082280	0.13
1257.3236080	0.34
1260.1632080	0.07
1260.9909670	0.05
1266.9238280	0.17
1268.3105470	0.81
1269.2222900	0.42
1270.1757810	0.23
1272.0046390	0.44
1275.2318120	0.17
1276.4526370	0.03
1277.5932620	0.35
1280.3120120	0.41
1280.9675290	0.24
1282.6230470	0.49
1284.3461910	0.50
1285.6646730	0.51
1286.9219970	0.52
1288.9338380	0.22
1290.2487790	0.70
1291.1965330	0.71
1292.8020020	0.14
1293.5136720	0.42
1295.3450930	1.17
1298.1654050	0.73
1299.4487300	0.73
1300.5363770	0.39
1301.2614750	1.02
1303.5192870	0.53
1304.8946530	1.55
1305.7835690	0.64
1306.6413570	0.30
1309.5371090	1.33
1311.8066410	0.69
1313.1119380	0.36
1313.8403320	0.40
1314.8792720	0.33
1315.6024170	0.67
1316.8697510	0.34
1319.5546880	1.55
1320.7181400	0.54
1322.6693120	1.23
1323.3798830	0.28
1324.3795170	0.35
1326.2524410	0.26
1327.1635740	0.42
1328.5876460	1.24
1330.8292240	0.86
1331.9307860	1.92
1332.7578120	1.98
1334.1265870	1.88
1334.8468020	1.61
1335.8874510	0.16
1338.2786870	3.80
1339.2303470	2.24
1340.6981200	0.50
1341.3096920	0.43
1342.1148680	0.45
1343.1243900	0.40
1344.0015870	0.32
1345.1864010	0.36
1346.2927250	0.69
1347.2841800	0.75
1347.9560550	0.24
1349.0617680	1.56
1349.7744140	0.08
1351.0371090	1.43
1351.8221440	0.33
1352.8277590	1.77
1353.6231690	0.55
1354.4827880	1.60
1355.3006590	2.81
1356.6146240	1.33
1357.3739010	1.17
1358.2709960	0.49
1359.7855220	2.67
1360.5697020	3.88
1361.2230220	0.72
1362.4532470	1.52
1363.5174560	0.42
1366.0103760	7.55
1366.8090820	3.76
1367.9521480	0.36
1369.0743410	0.15
1370.7606200	1.10
1371.6343990	10.25
1372.4647220	18.60
1374.5690920	0.40
1376.2783200	1.66
1376.9442140	2.31
1377.5733640	0.35
1378.3750000	0.25
1380.0526120	0.50
1381.1539310	0.28
1382.8068850	0.24
1384.7209470	0.10
1385.4182130	0.31
1386.6833500	0.14
1387.3909910	0.45
1388.7795410	0.97
1390.9798580	1.09
1392.0509030	0.94
1392.9659420	0.74
1395.1507570	3.86
1396.0151370	0.40
1397.5661620	7.59
1398.3594970	5.96
1399.0112300	0.13
1399.8707280	1.50
1400.7254640	1.79
1401.8470460	0.20
1403.2098390	5.52
1403.9147950	32.23
1405.0578610	1.55
1406.1029050	0.23
1407.4561770	0.18
1408.8914790	2.49
1409.5684810	100.00
1410.2999270	47.37
1411.0991210	1.55
1412.0738530	0.64
1412.8425290	0.44
1413.6076660	0.13
1414.3409420	0.17
1415.7010500	0.50
1418.5689700	0.55
1420.0093990	0.12
1432.7354740	0.07
1454.9776610	0.09
1494.2923580	0.04
1504.3267820	0.11
1504.9986570	0.08
1528.7500000	0.04
1538.7142330	0.03
1540.8931880	0.10
1548.3115230	0.09
1556.0623780	0.13
1571.9775390	0.09
1576.1171880	0.29
1577.7335210	0.28
1583.4498290	0.27
1606.5059810	0.11
1648.9399410	0.24
1649.8238530	0.19
1652.9202880	0.13
1656.4063720	0.07
1657.4232180	0.19
1660.4122310	0.03
1663.5367430	0.05
1667.1534420	0.22
1670.1702880	0.19
1682.3341060	0.09
1685.7928470	0.11
1698.0352780	0.48
1715.7967530	0.12
1720.6398930	0.11
1721.4891360	0.07
1727.0015870	0.22
1730.2023930	0.08
1733.4583740	0.19
1735.2648930	0.27
1739.3879390	0.08
1755.8580320	0.03
1767.3292240	0.27
1769.3275150	0.61
1779.5563960	0.10
1780.1690670	0.22
1781.4593510	0.09
1785.9488530	0.43
1798.4284670	0.15
1800.6774900	0.10
1804.1099850	0.10
1819.5194090	0.12
1824.4102780	0.10
1825.2130130	0.11
1825.9162600	0.03
1827.8995360	0.10
1829.1588130	0.09
1831.4671630	0.09
1833.3283690	0.07
1838.9210210	0.30
1841.2492680	0.33
1842.5217290	0.06
1845.4210210	0.19
1846.2131350	0.71
1846.8375240	0.05
1847.8253170	0.04
1852.6940920	0.15
1856.6002200	0.16
1861.3736570	0.36
1864.6823730	0.39
1865.9764400	0.06
1868.5666500	0.03
1869.7960210	0.97
1874.1219480	0.08
1877.0982670	0.08
1879.1739500	0.16
1882.1888430	0.09
1886.2393800	0.26
1889.6657710	0.31
1897.2269290	0.12
1898.0017090	0.56
1903.9573970	0.05
1906.4699710	0.56
1911.1617430	0.04
1916.0452880	0.75
1917.1893310	0.52
1917.8760990	0.53
1920.7972410	0.26
1922.5930180	0.03
1924.2659910	0.09
1934.9361570	0.19
1936.5389400	0.09
1937.7247310	0.07
1940.4498290	0.26
1942.0225830	1.01
1943.0565190	0.13
1945.6197510	0.44
1946.6773680	3.83
1948.5809330	1.63
1949.8703610	0.19
1950.6036380	0.39
1952.3695070	0.16
1953.0035400	0.05
1954.0289310	0.70
1958.0247800	0.11
1958.9891360	0.29
1960.5501710	0.07
1967.0079350	0.11
1968.6234130	0.03
1970.3186040	0.14
1971.2570800	0.13
1972.5321040	0.26
1974.1251220	0.06
1975.9188230	0.09
1977.7990720	0.09
1979.2600100	0.11
1981.0906980	0.89
1983.4110110	0.38
1992.4646000	0.10
1993.6470950	0.14
1996.9989010	0.21
1999.6784670	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	399.0963
Annotation	S-Acetylphosphopantetheine
Peak:m/z	Relative Intensity
119.0348206	0.44
131.0285797	0.19
162.2911377	0.10
163.0481262	3.39
171.9044342	0.28
180.0575562	45.19
218.0760498	100.00
227.2631836	0.12
245.2041016	0.09
265.5804138	0.09
269.2991943	0.08
291.2296448	0.88
292.8131104	0.17
309.4715576	0.14
334.1833496	0.11
335.2449646	0.19
336.0878906	0.49
337.1547546	0.13
352.2230225	0.18
353.5063782	0.89
354.3995972	0.47
355.1622009	0.31
359.8941956	0.20
380.2406311	0.18
381.3874817	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	771.1982
Annotation	Kaempferol 3-glucosyl-(1->2)-gentiobioside
Peak:m/z	Relative Intensity
226.0499878	0.06
301.1043396	2.53
301.7100220	0.07
309.0236816	0.17
343.4143066	0.17
354.8343506	0.05
419.2785645	0.10
462.3063965	0.09
463.2805786	1.26
471.2287598	1.73
478.3506470	0.08
577.8293457	0.06
591.3765259	0.14
597.5094604	0.17
605.6313477	0.22
609.2957153	100.00
609.9173584	0.15
631.6608276	0.17
632.2804565	0.82
633.2097778	0.37
638.8421021	0.12
651.4534302	0.08
663.0840454	0.28
695.9734497	0.05
708.2842407	0.21
724.2810059	0.14
725.1293335	0.06
733.4498901	0.17
752.8511963	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2209
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.87998199	0.23
92.90387726	0.21
97.12097168	0.65
98.78742981	0.15
107.1825409	0.72
110.8788757	1.01
115.0304718	0.47
117.0741653	0.40
119.0207367	0.21
123.1470871	0.57
125.1186447	0.31
128.8672943	0.81
133.0254822	1.06
133.7719421	0.40
135.1357422	0.25
135.9671783	0.18
136.9278412	0.55
138.7458649	0.13
140.8308716	0.66
143.171814	1.15
148.9942932	0.43
151.3099976	0.28
153.1601257	0.39
155.1829834	0.85
160.9967651	0.73
163.0835419	0.70
164.964798	0.46
167.2181396	0.98
168.9433746	1.16
170.204361	0.48
171.2286682	0.46
173.2402649	0.35
174.9422913	0.22
177.0152435	1.39
178.9974365	0.97
180.9881592	2.66
183.1303101	1.10
184.0632019	0.42
185.0778503	0.96
186.5269775	0.16
187.3331451	0.15
189.2935486	0.16
193.3183899	0.51
195.055603	2.39
196.418335	0.25
197.0866089	2.48
203.2767029	0.72
205.1911316	1.08
207.3093872	1.78
209.056427	0.90
211.0330811	1.93
217.1324463	0.60
219.3843079	0.17
223.1084595	0.41
225.1887512	1.31
227.1486816	1.31
229.2321472	0.93
233.3434143	1.51
234.3926086	0.13
235.3799133	0.22
236.7406006	1.12
239.1347656	2.94
240.2614441	0.21
241.0340271	1.65
245.2261047	0.73
247.0258789	0.25
249.0533447	1.00
251.2252197	3.73
253.1234436	9.09
255.4155884	0.43
257.459137	0.39
264.9403992	2.06
265.5490723	0.28
266.2033997	0.36
267.3113403	2.46
269.1246338	1.40
270.1025085	0.82
272.0230408	0.31
275.1880798	14.84
277.2001953	0.29
283.2727661	7.00
289.8273926	0.43
293.2098999	100.00
294.265686	0.71
295.4899292	0.23
296.2561646	0.62
301.7823486	0.70
302.4363098	0.56
310.32724	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
91.06967926	0.64
95.06047058	0.91
96.9029541	2.12
98.92948914	0.24
108.8007965	1.09
111.2570801	0.54
112.9809418	1.07
119.3529816	0.23
121.3845062	0.19
123.1048279	1.56
124.6789932	0.40
128.0756836	0.72
128.8197784	0.22
131.0510864	0.60
133.07341	0.72
135.0249634	1.11
137.0221558	0.45
139.03125	1.65
140.780365	0.23
143.2364807	0.09
148.2180481	0.39
149.1488953	0.89
151.1907654	1.05
153.1515198	1.73
155.0415344	0.70
158.9354858	0.23
161.1620941	0.15
163.1922607	0.27
165.2295074	0.46
168.896637	1.12
173.4198608	0.35
175.3809204	0.47
176.8167419	0.20
177.5533752	0.25
179.2644501	1.64
183.2026367	1.73
185.0857849	3.07
191.1799774	0.35
193.1716309	0.70
194.9903107	0.92
197.133316	6.18
199.094696	0.42
202.9693909	0.40
205.1652832	0.45
207.1420898	0.97
209.1137085	1.36
209.9584656	0.71
211.0703125	2.92
213.1396484	0.43
215.177124	0.62
219.2766113	0.18
221.2405701	1.60
223.2634277	0.45
225.2499695	2.44
226.0734253	0.27
227.4465027	0.23
233.2428894	3.85
235.2019958	0.71
237.132843	4.90
239.1523132	14.42
241.1513062	0.71
243.2856445	1.35
251.2475586	3.77
252.0957336	0.52
253.1090088	1.32
255.3151855	2.83
256.109375	0.42
257.4498291	0.20
261.1885071	7.59
263.2494202	0.81
269.3352661	0.98
273.538208	0.35
276.9815063	0.19
279.2241821	100.00
280.2004089	1.86
281.135498	0.64
285.4492188	0.39
295.2358398	0.13
296.310791	0.65
297.2431946	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	292.07
Annotation	Unknow
Peak:m/z	Relative Intensity
146.1905823	0.06
152.8106537	0.16
232.3470459	0.09
242.0822754	100.00
242.7087097	0.31
265.3663940	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	251.1384
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
65.61998749	1.33
72.08183289	2.95
88.32791138	1.67
89.02520752	8.21
92.75204468	0.54
100.6864319	0.39
113.9933929	4.41
114.862442	1.82
116.8770905	1.67
133.0496063	0.41
134.6216431	0.38
137.9152527	1.78
157.3631134	0.50
163.0792389	8.43
167.1970367	0.18
175.0999603	1.84
179.0589905	0.79
192.1432953	7.04
194.8722076	0.48
206.947464	0.34
209.6275482	0.47
215.0839539	0.53
219.0971222	0.56
223.2982025	0.43
226.3131256	0.76
232.9765015	1.13
234.1198883	100.00
235.2728882	1.20
251.2460785	0.54
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
206.8745422	1.06
223.0738983	0.22
290.7266235	7.15
291.3349609	0.51
374.5720215	4.44
375.1967773	0.16
386.3059692	0.15
387.2580566	0.16
388.7095337	0.38
391.3433838	0.10
396.2931519	0.14
458.6682739	100.00
496.1383057	0.99
497.0202637	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	866.49
Annotation	Unknow
Peak:m/z	Relative Intensity
247.1245422	0.04
256.3020630	0.17
270.4201050	0.17
324.6101685	0.29
334.1555786	0.10
337.3862915	0.24
364.3682251	0.70
365.4486694	0.17
378.4785461	5.48
379.3479004	1.37
382.5292358	0.06
394.2189941	0.22
396.4205933	52.53
397.4968262	7.94
398.1064453	0.20
410.5969849	0.26
438.3220825	0.06
448.4861450	0.07
450.0161133	0.09
508.6505127	0.24
509.4202271	0.17
524.8145142	0.25
525.4792480	0.37
526.7608643	0.21
528.6132812	0.08
530.0086060	0.11
542.5728760	0.26
543.8626709	0.10
558.4855957	1.05
559.5283203	0.72
600.8464966	0.13
612.4828491	0.22
631.0513306	0.09
648.1494751	0.07
656.4715576	0.05
657.7644653	0.05
659.5675659	0.06
660.8834229	0.06
687.5423584	0.09
689.6735229	0.11
704.6322632	100.00
705.6071167	34.62
706.3222656	0.17
706.9271240	0.14
718.9163208	0.55
720.6250000	95.69
721.7271729	28.22
734.7395020	0.32
746.6826782	0.30
748.1269531	0.40
777.8800049	0.10
792.6890259	0.07
793.6366577	0.15
794.7728271	0.10
806.8231201	0.38
811.3451538	0.17
822.6535645	0.19
834.6874390	0.24
835.6592407	0.12
836.6268921	0.31
844.8600464	0.46
848.7466431	0.39
850.8112793	1.00
852.0010376	0.11
853.8248291	1.47
864.7897339	0.04
866.6797485	64.70
867.4812622	2.70
868.1222534	0.80
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
206.8291016	0.84
209.0142670	0.43
290.6896362	5.65
292.7143555	7.30
293.4370728	1.04
296.2666016	0.62
343.8402100	0.41
369.9996338	0.48
370.9036255	0.83
374.6345825	1.95
376.5078125	5.66
377.1214600	0.85
386.6883545	0.16
388.9812622	3.74
390.1074829	0.21
458.5789185	19.72
459.8730469	10.36
460.7492676	100.00
497.8491211	0.43
520.7310181	0.87
528.0825195	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	863.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
249.2977142	0.06
257.2890625	0.25
263.0041504	0.20
263.6220703	0.05
279.3691711	0.06
281.5114441	0.03
286.2539368	0.06
287.3151245	0.21
296.3212280	0.05
299.2914429	0.04
304.4305420	0.09
305.3039551	0.07
323.3494873	0.40
341.1322021	0.03
359.2929993	0.44
360.6409912	0.05
377.4963379	0.31
378.5958862	0.02
391.3307800	0.07
401.5773315	0.08
419.3685303	0.66
420.6005859	0.03
427.1907349	0.03
447.1713257	0.12
457.9482422	0.03
461.5602417	0.03
467.2271729	0.14
478.3120728	0.13
485.5357056	0.03
503.4909668	1.61
504.4306641	0.58
505.3256836	0.39
506.6970825	0.02
521.4334106	5.33
522.5443115	1.40
537.4061890	0.10
539.3854980	9.26
540.4794312	2.45
553.4710083	0.39
554.4025879	0.03
563.4217529	0.38
564.0297852	0.02
564.6384277	0.21
575.4284058	0.02
581.2063599	0.03
582.3707275	0.03
601.6051025	0.07
608.4387817	0.20
658.5584106	0.06
665.4879761	1.09
666.5126343	0.51
683.5308228	29.96
684.5075073	8.48
701.4597778	100.00
702.5403442	34.10
715.7838745	0.07
716.5607910	0.15
725.4551392	0.58
726.5733032	0.19
737.6541138	0.06
743.5771484	1.10
744.7309570	0.10
779.7316284	0.11
788.7374878	0.22
797.7306519	0.11
801.6303101	0.02
809.6571655	0.09
842.9339600	0.07
845.5350952	10.13
846.5545044	3.62
866.5787964	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	363.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
136.0225677	2.76
147.0607605	0.48
164.9739380	8.33
172.2334290	0.43
182.0554352	100.00
183.4454041	0.31
189.2907104	0.11
199.2219543	0.14
223.0929871	0.46
233.9096375	0.12
246.4282837	0.25
264.4025879	0.39
266.8836670	0.24
282.3183594	0.41
315.2109070	0.40
316.2273254	2.64
317.3107605	1.51
326.4123840	0.26
327.0534058	0.42
345.2372437	0.79
346.1149597	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1428.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
453.5236816	0.08
459.1126709	0.12
515.5562744	0.14
538.4318848	0.04
543.7579346	0.10
549.4939575	0.13
559.0334473	0.08
611.1601562	0.14
636.3671875	0.06
641.2790527	0.04
653.4072266	0.02
692.4644775	0.07
695.6186523	0.16
704.4615479	0.10
705.5979614	0.12
776.6267090	0.32
780.4404297	0.03
821.3200684	0.12
827.2356567	0.14
830.0020752	0.09
833.7121582	0.06
847.2931519	0.12
869.3590698	0.16
870.6296387	0.08
877.2182617	0.06
899.4515381	0.03
909.5206299	0.14
923.1081543	0.09
929.4439697	0.06
948.6987305	0.04
969.6477051	0.25
973.8361816	0.06
978.9365234	0.11
983.1412354	0.11
984.6741943	0.26
992.9117432	0.03
1012.3690190	0.18
1039.6779790	0.04
1043.7015380	0.10
1055.1318360	0.11
1057.9903560	0.17
1082.0874020	0.04
1088.7680660	0.19
1099.4191890	0.11
1109.7814940	0.08
1115.0427250	0.28
1115.6623540	0.11
1117.1118160	0.14
1128.1340330	0.06
1149.2436520	0.15
1154.7486570	0.44
1156.6206050	0.18
1157.6674800	0.15
1178.0495610	0.60
1179.9361570	0.17
1185.4918210	0.04
1190.9230960	0.23
1193.6975100	0.23
1196.2728270	0.14
1208.0428470	0.33
1209.6435550	0.30
1214.5588380	0.24
1215.4799800	0.07
1216.3668210	0.10
1217.0347900	0.37
1219.0715330	0.60
1220.5295410	0.13
1222.4589840	0.49
1224.2714840	0.42
1225.3137210	0.19
1227.6417240	0.04
1228.2961430	0.35
1230.5153810	0.22
1233.1154790	0.68
1235.1240230	0.16
1238.4941410	0.08
1240.6507570	0.09
1241.4809570	0.14
1242.2905270	0.08
1247.4431150	0.22
1252.3347170	0.25
1252.9423830	0.11
1254.8890380	0.25
1255.5922850	0.07
1256.4259030	0.46
1257.7746580	0.79
1258.6202390	0.61
1259.6829830	0.60
1260.7783200	0.48
1261.4638670	0.21
1262.3959960	0.79
1263.8361820	0.12
1264.5343020	0.09
1265.6894530	0.06
1266.5445560	0.11
1268.6021730	0.17
1269.7659910	0.13
1272.1301270	0.67
1273.4490970	0.87
1274.3137210	0.39
1275.3725590	0.65
1276.6206050	0.39
1277.2526860	0.20
1277.9320070	0.39
1281.3549800	1.73
1282.2434080	0.61
1284.7033690	0.47
1285.5371090	0.05
1286.7524410	0.19
1288.0090330	0.72
1289.1867680	0.95
1289.9820560	0.48
1290.8940430	0.05
1291.7524410	0.07
1294.6696780	1.02
1295.9960940	1.06
1296.7607420	0.81
1298.5144040	1.28
1300.2512210	0.52
1301.5582280	0.75
1303.0198970	0.61
1304.0590820	2.17
1304.9208980	0.34
1306.2014160	0.12
1307.4609380	0.71
1308.2507320	0.37
1309.6773680	0.91
1310.6224370	0.81
1311.4958500	0.40
1312.5747070	0.71
1313.3481450	2.69
1314.2088620	0.38
1315.3090820	1.32
1316.0288090	0.35
1317.0566410	0.37
1317.9711910	0.80
1318.9436040	2.83
1319.8953860	0.71
1321.2583010	0.37
1321.9692380	0.56
1322.8277590	0.58
1323.7565920	1.55
1324.6809080	0.33
1327.2603760	1.04
1328.4711910	1.33
1329.2965090	1.09
1329.9544680	0.56
1331.8710940	1.24
1333.6765140	1.21
1334.5146480	0.89
1335.4395750	1.30
1336.4306640	0.42
1337.4722900	1.82
1338.3361820	2.03
1339.0927730	0.02
1340.8168950	1.95
1341.7637940	2.05
1343.0725100	1.14
1343.9405520	1.01
1344.9539790	0.45
1346.7368160	3.63
1347.4321290	2.39
1348.1975100	0.97
1350.3679200	0.25
1352.1137700	2.59
1352.9302980	10.56
1353.8779300	0.65
1355.1619870	0.52
1356.2401120	0.38
1357.0822750	0.90
1357.9276120	1.36
1360.8265380	0.72
1361.5354000	0.85
1363.8190920	1.17
1364.4575200	0.56
1365.1809080	0.06
1365.9946290	0.69
1366.9603270	3.62
1369.1027830	1.16
1369.9488530	2.64
1371.0415040	0.15
1372.3579100	2.71
1373.2321780	1.48
1375.2105710	3.67
1376.0935060	1.40
1376.8853760	0.10
1378.7868650	15.29
1380.8640140	7.19
1381.6008300	2.70
1384.4019780	19.28
1385.0402830	26.62
1386.2346190	0.31
1387.1601560	0.09
1388.0427250	0.28
1388.9650880	0.33
1389.8818360	1.28
1390.6297610	100.00
1392.4472660	0.43
1393.2298580	0.60
1394.2712400	0.69
1395.3514400	0.51
1396.5673830	1.28
1398.9066160	0.23
1400.1009520	0.25
1400.7918700	0.33
1402.3552250	0.51
1404.8553470	1.50
1405.8544920	0.16
1407.8573000	2.24
1408.5506590	0.06
1410.6090090	0.80
1411.4063720	1.12
1412.2275390	0.37
1412.8950200	0.13
1414.1456300	2.32
1415.2606200	0.11
1417.0062260	0.48
1417.6307370	0.18
1418.4827880	0.02
1434.2308350	0.18
1436.8591310	0.10
1438.9576420	0.23
1451.0823970	0.05
1459.6633300	0.28
1483.0626220	0.07
1486.8175050	0.06
1489.9274900	0.11
1497.8316650	0.06
1501.3934330	0.15
1503.3742680	0.14
1504.5203860	0.02
1519.9444580	0.08
1521.9935300	0.32
1525.0677490	0.16
1527.7252200	0.19
1534.0245360	0.08
1535.0412600	0.42
1543.5726320	0.20
1548.7952880	0.09
1549.4680180	0.14
1551.7303470	0.10
1562.4375000	0.26
1563.4516600	0.12
1571.2850340	0.23
1572.2508540	0.18
1575.0042720	0.06
1576.1558840	0.09
1581.2547610	0.02
1583.5047610	0.13
1585.5844730	0.16
1594.7578120	0.29
1600.5065920	0.07
1604.0161130	0.03
1604.8543700	0.25
1615.4798580	0.28
1616.1473390	0.03
1617.2889400	0.33
1620.9415280	0.13
1621.6492920	0.39
1623.0174560	0.06
1625.8643800	0.06
1633.2485350	0.13
1639.6048580	0.16
1641.4803470	0.09
1642.8082280	0.06
1643.5880130	0.06
1650.7803960	0.31
1654.3878170	0.05
1655.3190920	0.13
1660.9041750	0.06
1667.0521240	0.13
1669.0582280	0.07
1670.9768070	0.09
1674.4224850	0.21
1684.0010990	0.10
1685.0360110	0.29
1687.0976560	0.03
1688.8680420	0.26
1689.7236330	0.20
1691.4039310	0.18
1695.9942630	0.04
1702.4545900	0.09
1704.8253170	0.17
1706.3184810	0.33
1708.4044190	0.29
1709.0416260	0.14
1710.0126950	0.06
1710.8023680	0.04
1714.6430660	0.23
1715.5189210	0.08
1716.7025150	0.19
1718.6225590	0.19
1721.6816410	0.46
1722.3980710	0.05
1727.1103520	0.58
1728.4078370	0.13
1730.0964360	0.07
1731.1719970	0.30
1732.4385990	0.12
1733.0678710	0.09
1739.3255620	0.04
1740.5053710	0.08
1743.6572270	0.46
1744.4361570	0.02
1745.6466060	0.09
1756.3702390	0.42
1759.7438960	0.20
1761.4957280	0.24
1763.4187010	0.12
1764.7785640	0.05
1766.1453860	0.18
1768.8428960	0.21
1770.3392330	0.10
1772.9616700	0.25
1775.0891110	0.45
1776.4024660	0.23
1777.9451900	0.20
1778.8177490	0.37
1780.5316160	0.08
1782.7149660	0.17
1784.6241460	0.09
1793.2459720	0.31
1794.3913570	0.19
1795.0695800	0.07
1797.2015380	0.10
1798.1384280	0.12
1801.6947020	0.26
1804.2442630	0.17
1808.3465580	0.11
1809.1726070	0.24
1813.3638920	0.23
1814.8337400	0.16
1816.3225100	0.45
1817.4293210	0.19
1819.7105710	0.38
1820.6813960	0.03
1821.9764400	0.47
1823.0285640	0.22
1824.2559810	0.04
1824.9400630	0.10
1827.3952640	0.42
1829.3088380	0.26
1829.9937740	0.03
1834.3536380	0.44
1835.0220950	0.14
1836.4587400	0.46
1837.1478270	0.40
1839.1668700	0.40
1842.5552980	0.07
1845.9818120	0.59
1847.1019290	0.08
1849.8303220	0.25
1851.6096190	0.08
1852.9864500	0.04
1853.6818850	0.04
1854.9777830	0.14
1855.5975340	0.29
1858.4831540	0.15
1859.2894290	0.22
1861.7136230	0.24
1862.7609860	0.06
1864.2473140	0.11
1865.8599850	0.43
1866.5822750	0.29
1868.2764890	0.27
1870.1319580	0.19
1871.0462650	0.50
1872.6278080	0.09
1875.3175050	0.35
1876.0085450	0.05
1876.7979740	0.09
1877.7266850	0.07
1880.5421140	0.06
1881.5350340	0.13
1882.1617430	0.04
1884.8465580	0.47
1885.9371340	0.70
1887.0255130	0.10
1888.1412350	0.18
1889.0682370	0.18
1890.4537350	0.21
1892.1075440	0.33
1893.1906740	0.74
1895.4665530	0.07
1897.0860600	0.14
1898.8006590	0.04
1899.9737550	0.09
1906.2340090	3.03
1907.2058110	0.04
1908.2774660	0.49
1910.3907470	0.13
1911.2623290	0.31
1911.9847410	0.32
1913.5191650	0.88
1914.4525150	0.14
1916.3968510	0.07
1917.4852290	0.17
1918.3024900	0.06
1919.1721190	0.29
1919.9686280	0.15
1920.6234130	0.15
1921.6209720	0.71
1922.5657960	0.30
1924.5477290	0.44
1926.3859860	0.22
1928.4881590	0.31
1929.2821040	0.63
1930.3800050	0.05
1932.2449950	0.13
1933.7110600	0.08
1934.5198970	0.45
1935.2510990	0.14
1936.0139160	0.06
1937.8616940	2.07
1939.6003420	0.30
1941.0479740	0.29
1942.3446040	0.18
1942.9523930	0.10
1943.6541750	0.77
1946.6105960	0.18
1947.5997310	0.55
1948.6221920	0.33
1950.3426510	1.32
1951.1754150	0.26
1951.9211430	0.35
1953.2960210	0.04
1955.1138920	0.37
1955.8927000	0.79
1957.7950440	10.30
1958.5550540	0.13
1959.1838380	7.52
1961.0949710	0.84
1962.6750490	17.36
1963.5842290	0.57
1964.8919680	0.27
1966.3238530	6.39
1969.6451420	0.34
1971.3005370	0.24
1972.3206790	0.50
1973.6989750	0.03
1974.9786380	1.23
1975.7663570	0.05
1977.1646730	0.24
1977.8996580	0.32
1978.8533940	0.42
1979.7912600	0.94
1981.0865480	0.16
1981.8802490	0.35
1983.5529790	0.08
1984.9211430	0.08
1985.7160640	0.51
1986.8336180	0.04
1987.6016850	0.41
1988.2794190	0.17
1988.9097900	1.12
1989.5516360	1.05
1990.1710210	7.37
1991.5032960	0.25
1993.0560300	0.44
1993.9124760	0.25
1996.0765380	0.27
1997.7017820	0.08
1998.9652100	0.23
1999.7590330	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	397.14
Annotation	Unknow
Peak:m/z	Relative Intensity
251.1077271	100.00
272.3162842	0.55
311.0551758	0.96
313.2230225	0.81
350.9111328	0.62
379.2812805	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	280.0827
Annotation	4-Hydroxyphenylacetylglutamine
Peak:m/z	Relative Intensity
163.9459686	3.88
167.3015900	0.16
181.2043152	0.24
183.1680145	0.05
185.0003052	0.20
189.0486755	0.12
192.1676483	0.09
210.1695557	0.55
217.2100220	0.08
218.2709656	0.13
226.0982971	0.08
234.3859558	0.15
236.2622070	0.09
237.2909546	0.15
244.1625366	10.08
252.1634216	0.06
262.1308289	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2629
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
88.93989563	4.08
90.98730469	1.66
94.90827942	13.81
96.87676239	5.48
101.0782471	3.07
109.026619	2.90
111.2177277	1.64
115.070343	7.62
121.0270844	10.73
123.1363449	7.30
124.8253937	4.23
126.8437881	0.94
128.8700562	3.31
132.991394	3.21
135.1558533	12.72
137.1891785	5.14
139.125	1.44
149.1664124	7.68
151.1322937	2.39
156.9306946	1.44
161.5643921	2.70
163.1009827	7.86
165.1453857	3.50
166.8770752	2.65
169.005249	5.52
177.238678	17.75
183.241745	2.62
185.2017517	2.58
191.15271	5.92
205.1008301	0.65
207.2922974	1.08
213.2094421	3.48
221.0270691	2.80
223.3607483	0.99
225.0813599	5.16
227.1941223	2.65
229.2521973	0.94
237.0397949	2.07
247.2901001	27.91
255.345459	0.65
263.3959961	1.42
265.2535095	100.00
273.5045471	1.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.21
Annotation	Lysergic acid diethylamide
Peak:m/z	Relative Intensity
104.1578903	0.35
117.9388123	0.29
121.0665970	0.17
149.1688232	0.27
184.0408325	0.64
212.0505066	4.84
216.0446472	0.12
219.9356995	0.19
240.2882385	1.09
249.2601318	1.01
259.8903503	0.09
268.2088623	100.00
269.2704468	0.66
277.9728699	0.13
279.1298828	0.15
280.1613159	0.31
282.4710083	0.79
283.0935669	1.35
287.7976685	0.33
288.8555298	0.16
300.8324280	0.45
303.7051086	0.21
305.6373291	1.32
306.4821167	0.18
308.2626038	0.68
315.5386963	1.10
327.2624817	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2828
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
149.0230408	100.00
149.9949951	21.49
166.9756927	32.67
168.0770264	4.62
182.1585236	16.21
197.9751587	4.66
198.9796143	16.96
248.1132812	7.78
260.1069031	15.17
261.1533813	11.79
261.9251099	7.75
279.0601807	38.96
280.0246582	43.14
314.0528259	3.87
346.1752319	10.51
348.1526184	9.09
351.9738464	3.09
363.7081909	3.35
374.1152039	26.12
375.3257446	12.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	706.454
Annotation	beta-Chaconine
Peak:m/z	Relative Intensity
206.2252808	0.18
211.1171265	0.20
238.2260437	0.08
239.0647583	0.11
252.1119995	0.10
252.9688110	0.05
254.1082611	0.19
274.3838501	0.19
284.1473389	0.07
339.2988892	0.06
341.5087280	0.28
351.6804199	0.04
363.6155396	0.13
366.5154419	1.55
367.5206909	0.93
380.4581909	3.68
381.3795776	0.84
384.3150024	0.05
396.6288452	0.16
398.4921265	20.68
399.4890747	7.37
412.6985474	0.27
413.5659180	0.29
438.4802856	0.08
440.4592285	0.36
452.5891113	0.24
453.3250122	0.08
454.4128418	0.06
498.6250000	0.09
514.7758179	0.14
524.6593628	0.11
528.5992432	0.21
529.6605835	0.09
546.6596680	0.36
547.7667847	0.16
558.5779419	0.59
560.5472412	100.00
561.5923462	37.44
574.3480835	0.23
586.7963257	0.18
589.3830566	0.22
602.2944336	0.17
603.6334839	0.27
616.6178589	0.16
632.7871704	0.39
633.5195923	0.13
644.9530029	0.12
646.3359375	0.07
674.8953247	0.14
675.7174072	0.13
690.5217285	0.13
691.5921021	0.15
706.5929565	30.45
707.9070435	1.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	650.985
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9310913	0.64
254.4302673	0.14
287.9616394	0.06
306.2357178	0.57
328.0765991	0.08
342.9481201	0.05
344.3931885	0.03
355.1102905	0.49
361.0451660	0.03
369.8267212	0.09
376.3407593	0.07
378.9615479	0.05
397.0417480	0.07
407.1375732	0.08
413.9096680	0.18
420.9235840	0.12
423.0682373	0.05
440.1567993	0.05
441.1004639	0.59
459.0979004	100.00
473.7747803	0.21
475.2973633	0.24
518.0350342	0.04
535.9177246	0.10
537.2402954	0.05
538.4530640	0.07
552.2132568	0.33
552.9138794	0.05
560.1876221	0.48
606.0703125	0.05
631.8063354	0.13
633.1687012	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	259.0917
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
83.9462357	0.81
96.9521484	0.04
99.8964691	0.02
101.9223328	0.06
104.0222778	0.05
105.0695190	0.04
129.9110107	100.00
146.0840912	0.07
175.0529480	0.02
185.0359039	0.03
189.0104523	0.02
212.3080292	0.04
240.1234894	0.02
241.1749878	0.21
245.2141571	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	334.14
Annotation	Tryptophyl-Glutamate
Peak:m/z	Relative Intensity
117.1469040	0.07
139.3102112	0.59
141.3171387	0.08
142.2175140	0.07
144.0882263	0.21
146.1443176	0.37
151.1203918	0.15
159.1361389	1.06
159.8127289	0.12
169.2350159	0.12
175.1739197	0.26
182.3055878	0.15
188.0243683	50.54
193.1127167	0.48
194.8037720	2.49
205.0257568	100.00
211.1681213	0.44
234.9099731	0.06
245.0419312	0.18
255.7323608	0.21
257.3609619	0.55
258.1464539	0.22
261.0991821	0.16
271.0745850	2.52
281.1538086	0.09
284.3133545	0.78
285.1551514	0.09
286.3295898	0.12
287.5199585	0.57
288.2639160	0.69
289.4102478	0.27
293.0957642	0.43
293.7622375	0.13
298.4129944	0.29
303.5347290	0.21
306.0936279	0.15
312.3209229	1.28
315.1936646	0.23
316.1817627	4.10
317.1863098	5.82
324.2007141	0.57
332.5827332	0.12
333.6162720	0.63
335.2957764	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	717.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
235.0927429	0.14
237.4287109	0.09
279.1951904	0.63
305.2599792	0.44
315.1274414	0.07
331.3225098	0.32
333.2643433	7.65
334.4396362	1.73
477.3264771	1.70
478.3320312	0.41
493.4305420	1.12
495.3106079	35.34
496.4607544	7.17
502.4309082	0.14
519.3912354	1.28
520.6910400	0.68
537.4767456	4.64
538.5426636	2.07
551.2476807	0.27
555.3753662	9.34
556.4012451	2.97
579.6657715	0.07
602.2796021	0.12
605.7799072	0.12
619.4821777	0.07
636.8997803	0.19
637.6141357	0.48
638.5285034	0.69
639.4292603	0.79
649.4795532	0.10
655.4539185	0.68
657.3853149	16.18
658.3931274	3.25
664.0001221	0.15
664.6102295	0.39
681.4474487	3.50
682.3880005	2.07
686.2567749	0.08
699.4506836	100.00
700.4961548	33.85
701.1702271	0.06
708.5317383	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	638.84
Annotation	Unknow
Peak:m/z	Relative Intensity
214.8342285	0.51
315.9381104	0.33
321.1382446	0.51
383.1606445	0.60
386.9497070	0.54
424.9141846	1.07
426.9436646	5.24
440.1428223	0.41
463.1450806	0.21
464.2862549	0.25
468.7841797	0.50
470.7040405	2.47
479.0466919	0.43
552.6065674	2.77
554.6912231	100.00
560.8706055	0.41
621.7935181	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	801.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
252.9375000	0.07
279.4241943	0.25
281.1821289	0.33
287.1448364	0.06
297.2416382	0.14
326.1638489	1.87
327.4506531	0.12
399.3975830	0.07
400.3740845	0.06
494.4231567	0.06
621.2362061	0.06
623.2291260	0.04
645.9083252	0.16
647.6785889	0.10
649.4201660	0.18
651.5906372	0.40
652.7309570	1.51
660.3115845	0.59
666.8107910	1.20
667.5353394	0.11
673.6615601	1.11
678.4254761	0.61
694.8368530	1.24
701.9255371	10.53
702.8408813	2.53
704.4512329	0.06
713.8853760	0.05
716.4186401	0.84
717.6823120	0.08
718.7650757	0.30
719.8720093	1.23
720.5514526	20.32
721.3870239	0.87
722.2362671	0.40
726.6889648	5.39
727.3993530	0.09
730.4882202	4.98
731.5543213	0.37
733.7134399	0.12
736.8953857	0.11
740.1808472	0.24
741.6085205	0.20
743.8002930	0.46
747.9408569	10.64
748.9952393	25.11
750.6422729	1.23
752.3345947	0.83
753.3804321	0.15
754.8256226	20.60
755.6596069	1.43
756.6666870	0.89
759.3172607	1.56
760.0003052	1.11
762.3928833	0.25
766.8609009	0.12
772.2450562	0.49
774.9019775	0.55
776.0447998	0.88
782.9935303	55.45
783.6566772	14.46
784.4749756	1.64
785.2798462	2.16
786.8943481	0.15
787.5674438	0.23
788.2197876	0.53
789.0130615	0.31
790.2699585	0.08
791.1026001	0.11
792.5410767	0.31
793.9505005	0.52
798.1010132	0.10
809.0037231	0.52
813.3627319	0.33
817.4264526	0.08
821.4437256	1.06
825.5652466	0.06
826.7313843	1.00
827.7515259	0.53
828.3629761	0.28
829.9708862	0.14
845.8212280	0.34
848.5819092	0.11
851.8598633	2.41
852.6817017	0.50
860.0883179	0.64
864.2259521	0.22
865.2692261	3.16
875.0385132	0.78
879.1776123	0.54
880.3360596	0.14
884.9001465	1.95
885.9270020	0.60
888.1699829	0.70
889.0531616	0.74
892.4163818	0.19
893.6421509	0.25
897.6755371	3.10
898.8042603	0.41
900.4934692	0.57
908.7661743	0.68
909.4548950	0.17
910.5531616	0.12
920.2646484	0.60
922.0476074	0.70
926.0139160	0.78
926.6870117	0.10
928.2459106	0.57
930.5725098	0.59
931.8650513	0.67
935.2131958	8.70
936.0054321	23.53
936.7421875	8.95
938.6064453	1.72
939.3103638	0.50
942.1069946	0.57
948.3384399	0.81
953.7673340	0.66
954.7429199	1.53
959.8134155	3.27
960.4716797	100.00
961.6321411	5.91
962.9848022	0.43
963.7668457	0.14
964.8261719	0.68
967.4348755	0.55
968.9859009	1.21
970.1833496	0.66
973.1188965	6.74
974.1592407	1.95
991.8359375	0.86
997.2825317	8.32
998.3825073	59.72
1000.9800420	1.72
1002.0053710	0.79
1005.6775510	16.55
1006.3481450	77.52
1008.0408330	1.39
1009.1582030	1.18
1010.1415410	0.58
1011.4484250	0.25
1016.7103880	1.13
1017.6022340	0.62
1022.5244750	0.11
1023.2887570	0.28
1031.1145020	0.54
1033.5593260	0.09
1039.1522220	0.26
1041.4567870	0.14
1043.4306640	0.42
1046.1375730	0.92
1055.7749020	0.57
1061.2844240	0.26
1087.5357670	0.55
1102.1354980	0.32
1126.4267580	0.61
1127.3422850	0.64
1128.2924800	0.16
1134.2338870	0.18
1135.0502930	0.25
1137.8599850	0.07
1169.6855470	0.43
1172.8715820	0.14
1174.0692140	0.15
1182.8730470	0.75
1183.6629640	0.15
1184.2799070	0.34
1193.3150630	0.44
1195.9538570	0.31
1205.9687500	0.12
1212.4079590	0.24
1218.4793700	0.28
1227.0091550	0.40
1229.7927250	0.10
1232.7412110	0.75
1239.9653320	0.27
1241.0480960	1.90
1252.4479980	0.52
1265.9361570	0.12
1275.0551760	0.27
1295.9968260	0.24
1296.8421630	0.27
1297.7233890	0.50
1345.7716060	0.70
1346.5413820	1.04
1347.4396970	0.22
1368.3150630	0.20
1374.2801510	0.62
1379.9766850	0.08
1381.1711430	0.51
1388.0576170	0.06
1389.2554930	0.79
1396.2066650	0.51
1402.6228030	0.23
1403.2912600	0.37
1430.6851810	0.08
1434.2456050	0.04
1479.0887450	0.06
1491.7364500	0.22
1500.1457520	0.19
1502.5704350	0.19
1528.3563230	0.27
1590.8830570	0.05
1596.4996340	0.10
1605.3560790	0.25
1633.3298340	0.06
1635.2562260	0.09
1667.8171390	0.10
1669.3337400	0.36
1684.2540280	0.08
1706.3337400	0.32
1717.0897220	0.05
1725.9162600	0.07
1740.5902100	0.11
1760.1783450	0.32
1770.7512210	0.05
1785.2061770	0.17
1788.6810300	0.16
1791.4602050	0.16
1793.9989010	0.34
1794.6007080	0.19
1800.7144780	0.20
1801.4012450	1.19
1818.8132320	0.21
1819.7122800	0.12
1823.2615970	0.22
1841.1473390	0.06
1846.1579590	0.05
1850.2731930	0.68
1854.4459230	0.33
1856.9876710	0.28
1859.0162350	1.31
1872.0660400	0.33
1873.3988040	0.27
1877.4339600	0.12
1879.3468020	0.06
1883.0026860	0.12
1888.4187010	2.16
1892.2767330	0.06
1893.6774900	0.47
1899.7194820	0.97
1900.3267820	0.11
1902.8468020	0.09
1906.7152100	4.44
1911.4935300	2.96
1914.7850340	0.11
1916.5319820	0.23
1920.4061280	0.05
1921.6939700	0.09
1924.1530760	0.78
1927.6343990	0.81
1928.7008060	2.45
1930.7652590	0.65
1935.6921390	0.13
1938.5186770	0.24
1939.5720210	0.13
1942.7022710	3.66
1943.4888920	0.06
1944.2395020	2.72
1945.4490970	0.27
1948.5570070	0.10
1952.6335450	24.59
1953.7600100	0.15
1954.6163330	0.42
1955.2727050	0.36
1957.0928960	2.36
1965.1687010	1.03
1967.4744870	3.90
1968.2033690	0.29
1972.0632320	0.95
1973.0955810	0.38
1976.9935300	0.39
1979.0826420	0.45
1980.4976810	0.58
1981.3682860	0.87
1982.0218510	0.89
1983.3587650	1.48
1985.0289310	0.77
1988.8734130	8.74
1991.2930910	1.94
1993.3382570	0.47
1994.7829590	0.53
1995.6634520	0.55
1999.9964600	4.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.84
Annotation	Unknow
Peak:m/z	Relative Intensity
232.1669922	0.10
235.2178802	0.20
269.1826477	0.25
290.7034302	0.59
292.6600952	0.08
378.1980591	0.29
380.8643799	0.27
441.3953857	0.10
462.3832397	0.43
464.8659058	1.16
542.8919067	0.50
545.0444946	0.14
547.0285034	1.27
548.6262207	15.00
549.3444214	0.24
560.6719360	1.36
595.2900391	0.18
629.8189087	0.10
630.7272339	0.63
632.0818481	7.52
632.6949463	100.00
641.7387085	0.22
671.0636597	0.27
678.2914429	0.46
693.6440430	0.76
694.6958618	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
111.2859726	0.06
129.1444244	0.10
135.0895996	0.58
136.2601624	0.18
156.0348816	0.22
161.2134094	0.28
162.1491394	0.15
173.0736389	1.73
179.0573883	4.52
180.0143738	1.53
191.0414276	100.00
192.129364	39.40
216.4797668	0.08
224.1226196	0.06
224.934967	0.58
237.2575684	0.07
239.0074463	0.10
246.0464783	0.65
289.8805542	0.06
291.6235962	0.18
306.5980225	0.44
308.090332	0.46
310.1478882	0.63
312.0461426	0.09
316.0390015	0.31
318.0939331	0.67
335.3867493	0.47
336.0546875	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	282.0965
Annotation	4-Hydroxyphenylacetylglutamine
Peak:m/z	Relative Intensity
108.8112335	0.13
110.9267426	0.27
122.9035492	0.05
131.0260925	0.16
150.9577789	0.36
152.0404663	0.17
157.0184937	0.10
161.1067200	0.53
165.2127380	0.15
169.0696106	0.09
170.0102844	0.56
175.1732483	0.41
178.8644562	0.11
193.2733765	0.09
195.1094360	0.53
196.2963867	0.05
206.0491943	0.09
210.3948364	0.07
219.2093506	0.48
223.1080627	0.17
225.0557556	0.47
236.0514832	43.84
237.0765381	0.44
239.2598267	0.21
240.0629272	0.20
241.1569214	0.07
245.2752686	0.52
246.1487427	1.59
247.1766663	0.59
252.1347656	0.10
253.6108398	0.08
254.3904419	0.07
258.9400940	0.38
263.9832764	100.00
264.5918579	0.41
265.2758179	0.61
267.2105103	0.19
272.6494751	0.23
273.7230225	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.278
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
139.9930267	0.09
153.0321045	0.11
196.0216675	0.14
199.3187561	0.05
214.0502014	1.59
215.1772461	0.14
223.1124878	0.05
227.0409393	0.04
261.0834656	0.02
279.3056030	100.00
280.3818054	24.34
291.3776855	0.03
309.3066406	0.02
345.2284241	0.02
349.1917114	0.02
391.7196350	0.02
392.8670959	0.04
405.1123352	0.02
416.0722046	0.10
431.1477356	0.01
435.4205627	0.01
457.5308533	0.02
458.8960571	0.08
462.9850769	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	717.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
211.4023438	0.22
215.4903107	0.07
223.5842590	0.08
235.8772888	0.46
242.2170105	1.05
254.2264557	0.35
264.1009521	0.06
272.1646118	6.38
290.2185059	6.52
293.4395142	0.28
311.1407166	0.09
320.9295044	0.09
328.8908081	0.07
333.2164307	0.07
343.5358276	0.10
357.4556274	0.10
373.9562988	0.12
396.2895508	0.10
412.7288818	0.07
419.9928589	0.08
422.0863647	0.06
424.3181152	0.06
426.1779175	3.32
435.2835083	0.08
437.9625244	0.07
438.5720825	0.35
442.1096191	0.27
443.1062012	0.06
453.4611816	0.26
454.4028320	0.06
456.2944336	9.39
471.3250122	0.84
473.2585449	0.37
474.2558594	0.60
483.4157104	0.63
484.3557129	0.95
495.6124878	0.06
496.2909546	0.19
497.2052002	0.06
501.3120117	1.09
506.3881226	0.12
518.2924194	0.11
536.2944336	0.62
541.5053101	0.41
548.0469971	0.14
552.6672974	0.05
554.3109741	1.32
555.3536987	1.80
556.6613159	0.16
564.1636353	0.11
566.3612671	0.13
567.5641479	0.35
570.3905640	0.29
572.3096313	1.82
583.1941528	0.26
584.2521973	6.63
585.3724365	4.16
586.8866577	0.37
588.3708496	0.41
594.1788940	1.00
599.8802490	0.16
602.3952026	6.88
603.2683716	0.14
612.2908936	1.34
613.3292236	0.21
616.1667480	0.07
620.4774170	0.23
623.0884399	0.08
626.5949097	0.68
627.5466919	0.12
633.2149048	0.57
634.7090454	0.16
643.4137573	0.06
645.5187378	0.51
646.5610352	0.48
650.8172607	0.17
651.4618530	5.95
652.5954590	0.83
653.2100220	0.09
654.5479126	0.07
655.4764404	0.91
656.5827637	0.37
657.6381226	0.37
663.3118896	1.95
664.0762329	0.20
669.3517456	27.86
670.4181519	4.32
671.1964722	0.04
681.3806763	14.49
682.4633179	4.62
687.4105225	45.07
688.0855103	0.06
699.3672485	100.00
700.3776855	26.89
701.0544434	0.12
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
95.80444336	0.76
108.8139343	1.30
118.692337	0.80
121.0594177	3.17
123.0303497	1.15
132.9312286	2.41
141.0278473	0.90
147.243988	1.25
149.1297302	2.57
160.9751282	0.56
165.0929871	0.51
167.198761	0.51
168.9907227	2.14
171.3008118	4.69
177.0929871	2.23
181.0063477	5.61
183.3838501	0.89
184.1216125	1.83
184.9741516	1.20
193.1810303	1.44
194.9526367	4.29
197.1317291	0.85
205.2679749	0.71
209.1219177	2.52
211.0820007	0.95
213.317688	0.97
215.3031006	1.99
222.9595642	1.68
225.3742676	4.52
227.1434021	3.61
229.0801086	1.60
230.7663269	2.39
233.0323792	1.23
235.1763	2.79
237.500885	1.98
249.319397	0.75
251.1520691	3.65
253.1755371	6.42
257.2417297	3.31
261.2710571	4.77
263.1046143	0.66
265.0953979	7.92
267.1974487	8.07
275.1151428	14.85
275.8478394	0.33
283.2338257	3.72
291.3259888	0.80
293.2052612	100.00
294.166748	2.47
297.267334	0.60
301.6531372	3.97
311.5250854	2.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
133.0894165	7.99
142.2058868	15.46
149.02771	100.00
150.0777893	44.34
166.9147949	15.88
167.9084167	5.88
204.1894836	2.93
251.0613403	9.56
256.7424927	2.64
260.5011292	3.45
261.7883301	6.91
275.9152527	6.15
278.944397	39.04
280.0762939	50.22
316.3381042	29.19
320.4244385	5.61
322.0892639	2.92
347.4331665	9.23
351.3887634	9.82
356.0766296	7.00
374.1200256	23.80
375.1186829	2.82
392.0821533	2.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	665.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
259.1540833	0.06
330.1775513	0.34
331.1898804	0.10
343.1658325	0.01
344.0056152	0.01
355.1788940	0.02
378.2226562	0.06
431.6993408	0.09
434.4672241	0.04
445.0511475	0.02
461.2172241	100.00
462.2250977	26.94
463.3090820	0.24
464.2560425	0.03
509.4047241	0.04
549.4602661	0.02
620.1051636	0.13
621.1273804	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	554.72
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0836639	0.05
174.2719421	0.04
213.5250244	0.15
258.0099487	0.07
267.9843140	0.18
268.9415283	0.06
302.9058228	0.28
340.1844482	0.06
341.3680420	0.07
349.8276978	0.03
378.2341309	2.37
379.0554810	0.42
380.2446289	2.40
381.2752075	0.33
385.0091553	0.05
386.8045044	7.94
418.3760986	0.06
441.6720581	0.13
442.7478027	0.29
444.0828857	1.19
445.1897583	0.05
453.1192627	0.08
467.4306030	0.05
468.9790039	0.22
470.7121582	100.00
471.3403320	0.32
487.6271973	0.27
490.0741577	0.12
494.7498169	0.07
507.8887939	0.19
526.0109253	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
88.28348541	0.18
94.00288391	0.30
95.31143188	0.68
98.77719116	0.15
100.9580231	0.53
104.8538361	0.25
107.0648499	0.40
109.0511169	0.62
110.8747253	0.25
113.1078339	0.34
115.0063248	0.98
118.8780441	0.21
125.0110626	1.69
128.9833679	0.76
131.1134491	0.43
133.1925659	0.17
135.130722	0.18
139.1681519	1.34
140.915802	0.89
143.1564941	0.21
149.1549988	0.38
150.824646	0.52
153.1551514	1.14
154.9987183	1.46
157.1230164	0.18
157.9526062	0.43
159.345459	0.10
161.0528564	0.27
162.9241638	0.20
164.0306396	0.31
165.0100098	0.21
166.8381195	0.64
169.0510864	0.75
170.2262268	0.45
170.9916229	0.53
174.6995544	0.28
177.2130432	1.69
181.2004089	1.39
183.0245056	1.86
187.0916443	1.05
193.0218506	1.35
195.0392456	2.47
197.0373077	3.48
199.0020142	0.66
200.8259888	0.13
205.1130371	0.46
209.155426	0.36
211.208252	3.30
212.4151001	0.20
213.4042969	0.80
215.1843872	1.10
217.1146851	0.13
219.3170166	1.00
221.2724609	0.14
222.2934265	0.38
222.9533386	0.71
225.242218	1.00
227.2848511	2.96
229.100708	1.68
231.1451416	0.62
233.2129517	0.74
235.2629395	0.61
236.9968262	3.65
237.6052551	0.34
238.5843506	1.49
239.2662964	2.14
241.0176086	1.06
243.210022	0.45
245.1544495	0.24
247.006073	1.35
249.3109131	1.39
250.1467285	0.63
251.1818542	4.07
253.1520996	9.14
254.5196533	0.31
255.1444397	0.32
257.0817566	0.20
261.7237549	0.36
262.882843	0.54
265.2524414	5.22
267.1778564	1.35
268.1730042	0.73
269.31073	1.04
269.9162598	0.52
270.8135681	0.47
275.2462769	18.20
277.3838501	0.72
283.2954407	5.37
287.4491272	0.13
288.1976929	0.55
289.4124756	0.18
293.2151489	100.00
294.3508301	1.36
305.0999451	0.95
309.1696167	0.66
310.4631348	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1073.45
Annotation	Unknow
Peak:m/z	Relative Intensity
313.1722412	0.09
328.1185303	0.04
360.2381592	0.20
404.6141357	0.35
430.3061523	0.07
432.2151489	0.04
474.1588135	0.09
477.8082275	0.16
505.3565063	0.28
509.0968628	0.06
527.2104492	0.10
552.3265381	0.12
557.5468750	0.05
632.5578613	0.08
641.9559937	0.06
672.1251831	0.11
701.3775635	0.06
712.5649414	0.11
743.6583862	0.14
744.8958130	0.06
757.8942871	0.05
767.3557129	0.16
778.7850342	0.08
789.6040649	0.11
793.0212402	0.25
795.5371704	0.08
797.2524414	0.11
837.7517090	0.05
848.1716309	0.18
860.7525635	0.03
912.1057129	0.31
918.7969971	0.22
919.4677734	0.06
923.4006348	0.07
926.6190186	0.09
931.2601318	0.31
932.0675049	0.32
938.6256104	0.43
939.9163818	0.39
953.4660645	0.51
956.3734131	0.13
959.9434814	0.23
962.9965820	0.31
965.8964844	0.42
969.5720215	0.32
970.2603760	0.39
970.8718262	0.31
974.8082275	0.12
978.1435547	0.58
978.9230957	0.67
980.6379395	1.00
981.9016113	0.94
983.2598877	0.54
985.8391113	0.26
986.8051758	1.37
987.8612061	0.74
991.3140869	0.66
992.4533691	0.42
993.5922852	1.08
994.9282227	0.37
996.3186035	0.57
997.2905273	0.58
999.6223145	0.44
1001.2065430	1.49
1003.6445310	2.01
1004.4272460	0.50
1005.2407230	0.65
1007.2298580	0.65
1008.4943850	1.50
1010.0037840	0.29
1011.1169430	0.36
1012.3811040	1.72
1013.0820310	0.10
1013.9755860	0.44
1014.9329830	2.15
1015.6436770	1.40
1016.8031010	0.56
1017.6147460	0.06
1018.4180910	0.08
1020.0334470	2.58
1021.8419190	0.92
1023.0704350	1.56
1024.9504390	2.84
1026.1455080	2.12
1027.1461180	1.97
1028.6166990	2.24
1029.4597170	3.99
1030.4556880	0.19
1031.4621580	5.74
1033.2856450	6.16
1034.2790530	3.64
1035.3756100	3.96
1035.9813230	14.11
1037.2917480	5.33
1037.9567870	2.96
1040.2700200	33.59
1041.1652830	1.38
1042.3420410	0.34
1043.0557860	0.09
1044.6323240	9.16
1045.5101320	2.49
1046.8135990	0.63
1047.9084470	1.28
1049.3732910	0.87
1050.0732420	0.54
1051.4343260	1.97
1052.4738770	0.26
1053.5278320	2.78
1055.6214600	2.37
1057.5725100	6.84
1058.3527830	2.04
1059.5483400	1.89
1060.2414550	10.10
1062.1710210	4.10
1063.0357670	0.29
1065.4656980	0.32
1083.8168950	0.33
1087.7734380	0.35
1116.0937500	0.07
1126.6345210	0.44
1139.8763430	0.46
1143.0678710	0.58
1144.0726320	0.26
1150.1242680	0.24
1164.2543950	0.36
1167.5927730	0.03
1170.1866460	0.34
1171.9909670	0.09
1173.8027340	0.42
1175.8708500	0.41
1176.6572270	0.08
1179.4080810	0.82
1182.0356450	0.11
1185.5975340	0.04
1186.5510250	0.12
1188.0021970	0.56
1189.9877930	0.18
1195.3186040	0.29
1197.9785160	0.67
1214.5563960	0.53
1216.2146000	0.53
1218.6728520	0.42
1219.4257810	1.05
1220.4787600	0.29
1222.7098390	0.24
1226.1826170	0.23
1228.6359860	0.25
1234.6232910	0.64
1236.2373050	0.41
1236.8762210	0.33
1237.8475340	0.25
1239.0758060	0.42
1239.7949220	0.17
1241.3317870	0.53
1242.2028810	0.40
1244.0362550	0.41
1246.1317140	0.14
1247.4182130	0.68
1248.0295410	0.10
1249.3138430	0.47
1250.0485840	0.14
1250.9802250	0.55
1252.2431640	0.09
1253.5496830	1.18
1254.6455080	0.74
1256.2014160	1.00
1257.4755860	0.54
1258.5472410	1.89
1260.1518550	1.62
1260.7796630	0.39
1262.5490720	0.15
1264.3699950	0.26
1264.9799800	0.18
1266.3759770	0.08
1267.7344970	0.05
1269.3465580	0.40
1270.3431400	0.56
1271.6998290	0.46
1273.3948970	0.66
1275.2030030	0.44
1276.9609380	1.07
1277.9802250	0.73
1278.6336670	0.14
1279.7263180	0.20
1281.3730470	0.63
1282.1179200	0.47
1283.4468990	1.49
1284.2940670	0.16
1286.0972900	0.78
1286.8234860	0.27
1287.4382320	0.33
1288.0623780	0.36
1289.1849370	0.28
1290.8114010	1.51
1291.9477540	0.49
1292.9130860	0.69
1293.8056640	1.12
1294.5330810	0.64
1295.4624020	0.69
1296.2062990	0.51
1297.5928960	1.40
1298.3222660	0.38
1298.9249270	1.57
1299.9927980	0.62
1302.4853520	2.33
1303.7824710	1.26
1305.0603030	1.12
1305.7497560	1.28
1306.9250490	1.78
1307.5771480	0.82
1309.4034420	3.05
1310.2376710	0.51
1311.1589360	1.96
1312.0083010	0.73
1312.6651610	0.38
1315.0067140	3.44
1315.8879390	0.98
1316.9735110	1.33
1317.7998050	0.95
1318.8348390	1.68
1320.0755620	1.17
1321.2840580	6.92
1322.2900390	0.72
1323.5023190	0.98
1324.3913570	0.87
1325.3016360	0.44
1326.5445560	0.88
1327.4139400	0.90
1328.4108890	0.91
1329.6850590	2.51
1331.2670900	1.38
1331.9790040	1.24
1333.0001220	0.56
1334.2525630	1.69
1335.3704830	1.02
1336.1154790	1.77
1337.4132080	4.74
1338.0208740	0.28
1338.9034420	0.63
1340.1464840	3.21
1340.7701420	1.98
1341.7645260	0.29
1342.8355710	3.26
1343.7338870	3.61
1344.7476810	0.44
1345.7689210	1.96
1347.8522950	2.32
1349.1195070	8.08
1350.1390380	2.05
1350.9317630	0.05
1352.3404540	1.13
1353.4748540	5.38
1354.5946040	4.69
1355.6447750	1.07
1356.8839110	0.27
1357.6850590	1.49
1359.4361570	14.47
1360.2946780	1.08
1361.7879640	0.49
1363.1202390	2.23
1364.2106930	0.36
1365.2014160	1.18
1366.0795900	2.71
1367.6989750	0.29
1368.6812740	2.79
1369.5698240	1.43
1370.3487550	0.94
1371.4874270	2.58
1372.3312990	1.79
1373.5448000	0.30
1374.7827150	6.32
1375.5555420	0.65
1376.4213870	0.46
1377.7385250	6.95
1378.5103760	2.17
1380.6469730	18.14
1381.7568360	0.55
1382.8275150	1.32
1383.5145260	2.44
1386.5738530	44.22
1387.6257320	2.87
1388.6087650	0.27
1389.7495120	0.82
1391.0255130	1.82
1391.9466550	6.03
1392.5845950	100.00
1393.9418950	1.04
1395.5263670	0.40
1396.1982420	0.37
1397.8153080	0.74
1398.7580570	0.28
1399.7000730	0.41
1401.7714840	0.27
1403.6398930	0.08
1408.6815190	0.10
1412.9383540	0.27
1414.2611080	0.52
1426.3632810	0.13
1437.7249760	0.18
1442.5252690	0.11
1450.9284670	0.37
1464.0372310	0.22
1471.4661870	0.20
1474.4362790	0.39
1477.7344970	0.23
1481.1213380	0.22
1488.6552730	0.21
1491.0671390	0.53
1494.4466550	0.15
1506.4688720	0.08
1532.4200440	0.06
1541.3608400	0.14
1544.0238040	0.04
1548.3005370	0.09
1555.6997070	0.28
1560.9895020	0.25
1579.3897710	0.12
1581.9666750	0.12
1583.8422850	0.21
1584.9489750	0.24
1586.9862060	0.19
1595.3228760	0.14
1597.9733890	0.38
1599.9249270	0.10
1605.9107670	0.25
1612.8660890	0.18
1617.2795410	0.37
1622.2016600	0.09
1627.8098140	0.26
1633.3006590	0.22
1635.8266600	0.66
1642.5465090	0.05
1646.8554690	0.15
1656.2873540	0.15
1658.4586180	0.14
1668.1534420	0.05
1670.8690190	0.09
1685.6837160	0.05
1690.4919430	0.14
1705.2164310	0.23
1711.8133540	0.10
1717.7886960	0.20
1720.9818120	0.15
1726.7838130	0.07
1738.9919430	0.11
1748.6276860	0.12
1752.0285640	0.05
1755.2935790	0.11
1758.3322750	0.23
1762.6639400	0.08
1763.7757570	0.08
1769.2816160	0.24
1770.4510500	0.15
1772.3609620	0.22
1780.6705320	0.13
1786.0437010	0.20
1788.2525630	0.21
1789.1960450	0.06
1791.6314700	0.08
1793.8288570	0.13
1796.1741940	0.04
1797.5812990	0.07
1799.8970950	0.26
1801.7147220	0.52
1803.5076900	0.14
1810.5690920	0.08
1815.0852050	0.69
1820.6248780	0.17
1822.4349370	0.22
1823.1185300	0.06
1824.4266360	0.81
1828.0572510	0.41
1835.0396730	0.05
1835.8773190	0.11
1847.7611080	0.22
1850.7137450	0.45
1852.8109130	0.32
1858.3770750	0.70
1859.8543700	0.17
1865.8532710	0.15
1867.9294430	0.92
1868.6805420	0.04
1870.2098390	0.13
1875.7557370	0.05
1881.7081300	0.15
1882.3229980	0.28
1884.9006350	0.31
1888.7042240	0.22
1889.7951660	0.05
1890.4680180	0.79
1892.9146730	0.08
1895.8323970	0.56
1897.0120850	0.39
1898.9436040	2.01
1900.6358640	0.07
1902.1898190	0.02
1902.9519040	0.10
1905.0701900	0.08
1906.9294430	0.06
1907.6544190	1.44
1908.6370850	0.24
1911.6290280	0.49
1912.3677980	0.25
1913.4232180	0.28
1915.4221190	0.46
1917.8287350	1.58
1919.5797120	0.23
1920.2961430	0.52
1921.8175050	1.14
1924.4143070	8.38
1925.9191890	0.08
1927.9635010	0.10
1929.7657470	0.04
1930.5885010	0.13
1933.0329590	4.57
1934.0373540	0.10
1937.6348880	0.07
1938.5233150	0.45
1940.6242680	0.20
1941.6514890	0.05
1942.2712400	0.37
1943.1657710	11.51
1946.8663330	0.59
1949.7288820	0.22
1951.1087650	8.39
1952.6156010	0.15
1954.5079350	0.20
1955.4019780	0.06
1957.5343020	1.51
1958.4416500	0.25
1959.4285890	0.74
1960.2908940	0.04
1960.9852290	2.10
1963.6408690	0.43
1966.2877200	0.24
1968.0382080	0.20
1970.4219970	1.25
1971.7821040	7.61
1973.2261960	0.08
1974.3548580	2.20
1975.0100100	0.05
1975.8341060	0.11
1977.9715580	1.69
1978.9620360	0.74
1979.6383060	0.06
1980.7408450	0.33
1981.4475100	0.39
1982.3421630	0.38
1984.5969240	4.26
1988.5948490	0.05
1990.3011470	0.30
1991.2818600	0.48
1992.7082520	0.49
1994.0875240	0.68
1995.5474850	8.01
1997.1666260	0.28
1998.3952640	0.14
1999.6911620	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
251.4060516	0.19
310.0546875	0.42
353.2095337	36.19
354.2413330	8.65
499.5089111	0.14
500.1369019	0.33
518.1806030	100.00
519.2817993	29.46
537.4005737	0.14
600.4579468	0.18
666.5737915	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	583.2533
Annotation	Biliverdin
Peak:m/z	Relative Intensity
169.2900238	0.35
170.9123230	0.14
187.9140778	0.13
197.1944122	0.25
216.1922455	0.74
217.0405121	0.13
220.1676025	0.49
221.4483032	0.18
229.8930359	0.22
232.1272736	0.19
232.8135071	0.27
238.0900726	0.40
238.7966614	0.53
248.2305908	0.44
249.1577606	1.39
251.1725159	0.86
251.9087677	0.50
252.5350037	0.16
254.1406555	0.20
255.4129486	0.91
258.2950134	1.12
263.0571594	0.75
265.2322083	1.53
266.6221619	0.32
267.2402954	0.10
269.4403076	0.07
275.9976807	0.82
278.3162842	1.09
280.1246338	7.72
281.1881104	1.25
283.1100464	0.18
284.0245972	0.26
289.2388306	0.16
292.1978760	0.55
292.8017578	0.25
295.9962769	0.51
298.3480835	0.21
302.2246094	0.48
304.2069702	20.32
305.2092590	4.30
305.9661255	1.53
306.5936584	0.34
307.3431396	0.98
308.3822021	0.16
309.4437866	0.16
319.3160095	4.00
327.2177734	0.19
328.4018555	0.11
329.2618408	0.45
330.2285156	0.11
332.1933594	0.18
333.2814941	0.74
334.4662476	0.41
335.4472656	0.35
342.1398926	7.12
343.2785645	3.15
344.3366699	0.89
345.3032227	0.60
347.2946777	0.27
356.4295654	4.52
357.5949707	1.30
358.3585815	2.60
359.4202271	1.17
360.4472656	1.30
361.4546509	0.09
364.3809814	1.01
365.1325073	0.12
366.2928467	6.18
367.4101562	1.21
369.1658325	1.01
372.2011108	1.00
373.3469238	0.78
374.3216553	6.20
375.3346558	0.92
376.2637939	0.10
383.3955688	0.39
384.3438110	5.75
385.3107300	1.82
387.1848145	3.15
388.4206543	1.77
389.4884033	1.02
390.2980957	0.24
398.4068604	0.21
400.5255737	0.67
402.2896729	100.00
403.2945557	40.94
404.4641724	10.01
405.4522705	0.96
414.4262695	1.64
415.4617920	1.07
416.3942871	2.34
417.5611572	1.96
418.3577271	1.68
419.0310669	0.17
420.2018433	0.40
421.8625488	0.20
422.4927979	0.63
430.1164551	0.13
432.4513550	0.58
437.3294678	0.51
438.5034180	0.54
443.9867554	0.52
448.3538818	0.23
450.6814575	0.39
451.5179443	0.13
452.5470581	0.64
453.4849243	0.17
460.6870728	0.30
461.4539185	1.09
462.4794312	0.27
465.3791504	0.58
470.3759766	0.20
472.9913940	0.42
475.4564819	0.28
480.2274170	0.66
481.5012207	0.35
482.5573120	0.24
484.4402466	0.82
487.4918213	0.12
488.3336792	0.51
492.3403931	0.82
494.5088501	0.25
495.3408813	0.78
496.4988403	0.70
497.5769653	0.26
502.2067871	0.10
504.2319946	0.28
505.4216919	0.52
507.2830811	0.27
509.3274536	1.76
510.3776855	7.53
511.3908081	9.63
512.4287109	1.84
519.3440552	0.67
520.3648071	0.11
521.4620361	7.93
522.5380859	3.57
523.5770874	1.76
524.4342651	4.27
525.6420288	0.50
527.5037231	0.69
529.4987183	0.80
530.4483032	0.25
535.4168091	0.35
537.0748901	0.80
537.7570190	0.36
539.3692017	13.67
540.4636841	6.54
541.5605469	1.17
547.5615845	3.77
548.5285034	0.42
549.5305786	0.72
555.4126587	18.38
556.4763794	8.03
557.5044556	0.41
564.1255493	0.53
565.4193726	28.96
566.3978882	16.28
567.4522095	4.16
568.4268188	9.27
569.4442139	2.72
570.4281006	0.38
583.5095825	1.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	242
Annotation	Unknow
Peak:m/z	Relative Intensity
182.9340515	7.34
195.9901123	5.71
198.1113586	0.17
200.9903412	9.00
210.0016327	0.20
210.6560516	0.46
213.9666290	2.16
218.1263733	0.48
219.0553894	0.69
219.8633728	0.84
223.9356384	100.00
225.2601166	0.08
231.8521576	0.18
240.0539551	0.26
241.8687286	9.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
181.2482605	0.09
183.1840210	0.11
192.1752777	0.08
229.7635193	0.02
261.9647522	0.09
283.3637085	0.05
289.2974243	0.07
312.1330566	0.04
315.2597046	0.07
318.3798828	0.03
327.0626221	0.02
344.2270508	0.05
359.3063965	0.09
366.1506348	0.08
371.5995483	0.05
387.1815186	0.14
395.4520874	0.07
413.5073242	0.04
421.3035889	0.05
431.5615845	0.04
445.1807251	0.03
453.4149170	0.18
459.6002197	0.18
460.7176514	0.04
461.7236938	0.03
465.0848999	0.15
475.8167725	0.07
476.4425659	0.19
487.4893799	0.11
503.3275757	100.00
504.0294800	0.69
505.3945923	0.02
510.3688354	0.06
512.2221069	0.05
513.4017334	0.03
521.5209351	0.08
524.2694702	0.18
530.1868286	0.16
531.1306763	0.43
534.0629272	0.12
549.3509521	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	737.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
217.0587616	0.45
245.0553131	1.96
246.2284393	0.05
259.3458252	0.26
260.3647461	0.18
273.3126831	0.20
289.9819031	0.22
322.1417236	0.18
324.2221985	0.61
325.2782593	0.12
326.2173462	3.14
327.4803772	0.15
328.6742554	0.17
331.2246704	0.18
341.2298584	1.09
343.2307129	1.61
345.1852112	40.36
346.1570129	0.53
347.2312622	3.66
348.4495239	0.37
361.2637939	0.17
362.9963989	0.11
364.3020630	0.13
389.2064819	2.31
390.4505005	8.46
391.2045898	71.64
392.2698364	1.61
399.1694336	0.41
405.2175903	0.42
427.2180786	0.34
443.1519165	0.11
444.3002319	0.21
445.2575073	2.28
459.4118652	0.29
462.7844849	0.09
477.4093628	0.12
489.7055054	3.29
490.8093262	13.67
491.4332275	100.00
492.4279785	1.60
493.5290527	0.41
505.3850098	0.59
522.5361938	0.09
527.1381226	0.07
543.2907104	0.09
544.3162231	0.25
545.2817993	2.73
554.3367920	0.34
560.6298218	0.15
563.2868042	0.80
572.2227173	0.19
573.1515503	0.51
589.3386841	0.23
590.2802124	1.16
591.2703857	4.25
592.4607544	0.59
593.4585571	0.17
673.1788330	0.94
690.1322021	2.42
691.3659058	13.51
718.2085571	1.20
719.2522583	0.53
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
114.0388794	0.01
132.0662842	0.06
145.8773346	0.01
149.1184692	0.03
156.1962738	0.01
159.2109070	0.01
163.1427765	0.01
181.7661591	0.05
188.0059052	100.00
188.7778320	0.02
219.8495178	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2782
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
140.0399017	0.11
153.0447235	0.20
196.0182495	1.86
214.1533813	1.25
255.2854919	100.00
255.9454651	0.17
296.3578186	0.01
324.2927856	0.01
338.2674866	0.03
391.4878845	0.32
392.2653809	0.06
406.1105042	0.02
408.4578857	0.06
409.5140076	0.04
418.5599670	0.02
433.9017944	0.09
434.6567688	0.04
451.2644958	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	863.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
263.2156982	0.05
289.6647339	0.03
294.2098694	0.02
301.2796021	0.06
330.4271851	0.02
332.4047852	0.03
341.4631958	0.09
360.3666382	0.11
367.3042603	0.08
436.5408325	0.06
447.4027100	0.09
472.6458130	0.12
486.8766479	0.09
517.0607300	0.04
520.3854980	0.02
559.7885132	0.27
611.5134888	0.06
639.6181030	0.05
674.0556030	0.16
727.6837158	0.09
752.1215210	0.17
777.0093994	0.49
786.2066040	0.48
797.2548218	0.09
798.1621094	0.44
799.2924194	0.23
800.1071167	0.11
802.6676636	0.48
804.9517822	0.18
806.6358032	0.80
807.4573975	0.14
809.5309448	0.55
811.8922119	0.94
812.5924072	0.32
814.8826294	0.76
815.8409424	0.31
816.4805908	0.02
817.2514038	0.22
817.9030151	0.31
818.5270386	1.01
821.2015991	0.04
821.9324341	0.29
822.9000854	0.39
823.5645142	0.26
824.8698730	0.70
825.8850098	0.52
826.6959839	1.14
827.6206055	0.57
828.7287598	1.74
829.6168823	1.62
830.4530029	1.61
831.9266968	3.01
832.8031006	3.21
834.0562744	3.78
834.8747559	1.40
835.9428101	3.97
837.7675781	9.37
838.5397339	1.44
839.4318848	0.10
840.4210815	0.77
841.3772583	5.97
842.2416382	1.23
843.1293335	0.51
844.5486450	1.46
846.1903687	0.64
846.9182739	1.01
848.2092896	3.37
849.1508179	0.63
850.1460571	1.71
851.6467896	10.19
852.4880981	4.50
853.4614868	4.82
854.1957397	2.79
855.2843628	14.24
857.0169067	0.60
857.9267578	0.04
859.8345337	0.03
864.2451172	0.11
865.4300537	0.08
871.8234253	0.12
882.5012207	0.08
884.6365967	0.13
887.6757202	0.32
903.1268921	0.28
909.9209595	0.48
919.4215698	0.18
921.6154175	0.17
925.2349243	0.03
928.1464233	0.13
932.8025513	0.04
934.8362427	0.24
935.4883423	0.07
942.5733032	0.35
944.2690430	0.11
945.7357788	0.19
946.4687500	0.19
948.4588013	0.14
949.2568359	0.21
951.2373657	0.20
952.5932007	0.74
953.7753296	0.51
955.0363770	0.09
957.8512573	0.38
958.6622925	0.40
961.3281860	0.14
962.3536987	0.04
964.1795044	0.55
966.3698120	0.40
968.0896606	0.48
968.9978638	0.24
969.8035278	0.60
970.6608276	0.53
972.6142578	0.33
974.0371094	0.30
974.9579468	0.20
975.9054565	0.86
976.9573364	0.64
979.5385132	0.03
980.1713257	0.04
981.3312988	0.78
982.2861328	0.21
983.3390503	0.59
984.2217407	0.73
985.2998047	0.85
986.1560059	2.15
987.4109497	0.92
988.9179688	1.01
989.9439087	1.34
991.0259399	0.42
993.2568359	2.47
994.3899536	0.86
995.2127075	1.17
996.0833130	0.17
996.9812622	0.47
998.1430054	4.15
998.8768921	0.22
1000.0388180	0.84
1000.9058230	0.86
1001.6018680	0.33
1002.8161010	0.41
1003.6645510	0.44
1005.0292360	1.17
1005.9116820	1.38
1006.6973270	1.12
1007.5775760	0.84
1009.0214230	1.19
1009.9690550	1.19
1010.8806150	1.10
1011.7241210	1.07
1012.7987670	1.19
1014.2124630	2.19
1015.2005000	1.51
1016.5114750	0.56
1017.3670040	0.93
1018.4757690	3.72
1019.3295900	2.56
1020.1361690	0.24
1021.9020390	8.26
1022.6973270	7.73
1023.4995120	0.95
1024.2370610	0.92
1024.9846190	0.40
1026.0671390	6.95
1026.7810060	18.31
1027.7543950	1.44
1028.9877930	1.08
1029.7355960	1.47
1031.1674800	1.54
1032.1206050	0.88
1033.5142820	4.02
1034.7679440	1.74
1035.6501460	2.34
1036.5952150	1.33
1037.6352540	8.70
1038.5544430	6.01
1039.6127930	3.15
1040.2581790	7.35
1040.9636230	6.52
1042.1716310	10.67
1043.1787110	10.03
1043.8656010	2.58
1044.4692380	8.09
1045.4746090	1.33
1046.3696290	2.61
1046.9715580	45.10
1047.9449460	9.03
1048.9252930	0.74
1049.9996340	1.48
1050.6184080	2.10
1051.4716800	100.00
1053.2580570	2.46
1054.7119140	4.56
1055.7082520	2.32
1056.6793210	0.71
1058.0726320	0.10
1059.4572750	0.27
1062.1701660	0.23
1063.3907470	0.27
1064.9696040	0.34
1068.1693120	0.61
1069.2285160	0.09
1075.9940190	0.39
1083.1641850	0.22
1091.4807130	0.03
1113.5302730	0.02
1130.3714600	0.09
1132.2252200	0.22
1134.3879390	0.14
1135.9653320	0.11
1141.4062500	0.20
1143.7071530	0.06
1148.5334470	0.04
1157.4656980	0.13
1158.8872070	0.07
1163.9545900	0.25
1190.4062500	0.13
1200.8958740	0.09
1201.9487300	0.19
1205.5590820	0.29
1207.8088380	0.23
1211.4001460	0.19
1214.2379150	0.17
1221.9633790	0.16
1225.2476810	0.15
1227.3913570	0.41
1233.9462890	0.16
1238.4299320	0.29
1242.0614010	0.18
1242.8558350	0.39
1244.6247560	0.24
1245.9403080	0.31
1246.9641110	0.08
1248.7299800	0.43
1251.4487300	0.26
1254.6180420	0.03
1258.9511720	0.14
1260.2113040	0.06
1260.9316410	0.12
1263.1444090	0.27
1264.5833740	0.13
1268.0252690	0.42
1271.6326900	0.31
1272.3543700	0.12
1273.4979250	0.12
1275.6807860	0.16
1277.0308840	0.11
1277.8238530	0.38
1278.8256840	0.26
1279.4862060	0.05
1280.8972170	0.25
1282.0375980	0.32
1283.0064700	0.15
1283.6488040	0.13
1285.6816410	0.15
1287.0941160	0.12
1287.7451170	0.21
1289.4793700	0.19
1291.2855220	0.94
1292.4250490	0.06
1295.6370850	0.21
1296.9552000	0.14
1299.5692140	0.25
1300.5994870	0.31
1301.2889400	0.38
1302.1805420	0.06
1302.8393550	0.10
1304.7620850	0.13
1306.9090580	0.12
1308.2973630	0.38
1309.2470700	0.19
1311.0208740	0.38
1312.1043700	0.43
1314.6556400	0.53
1315.7496340	0.34
1316.6948240	0.30
1317.6833500	0.24
1319.6441650	0.19
1320.5485840	1.20
1323.2482910	0.13
1324.0941160	0.59
1325.6068120	1.79
1326.3322750	0.30
1327.2635500	0.42
1329.2956540	1.01
1330.2657470	3.25
1331.2565920	1.01
1332.1160890	0.20
1333.1474610	0.37
1334.0570070	0.21
1335.5137940	0.10
1338.4605710	0.37
1339.3967290	0.16
1340.2081300	0.57
1342.4992680	0.22
1343.4844970	0.27
1344.5429690	0.12
1345.6677250	0.09
1346.3760990	0.27
1347.2384030	0.59
1348.4395750	0.06
1349.5501710	0.33
1352.0802000	0.10
1352.8645020	0.61
1353.6378170	0.89
1354.2749020	0.04
1357.8270260	0.68
1358.8179930	0.78
1359.9547120	0.20
1363.7449950	1.69
1364.4649660	0.70
1366.2301030	0.14
1368.8298340	0.02
1373.4841310	0.14
1375.1646730	0.24
1375.8066410	0.14
1376.5128170	0.12
1377.9604490	0.14
1394.6608890	0.11
1409.1805420	0.02
1417.5269780	0.02
1467.2259520	0.06
1476.4698490	0.18
1492.7227780	0.06
1498.2471920	0.23
1504.9226070	0.20
1509.5671390	0.07
1514.9810790	0.09
1536.7806400	0.12
1547.6335450	0.19
1552.2291260	0.03
1566.7700200	0.14
1568.6024170	0.03
1577.3403320	0.09
1587.9122310	0.06
1598.5560300	0.20
1599.9710690	0.35
1600.7448730	0.08
1608.0036620	0.07
1611.9071040	0.25
1613.9449460	0.05
1616.9752200	0.03
1627.0528560	0.05
1653.6345210	0.18
1657.2310790	0.07
1660.9831540	0.05
1679.6846920	0.31
1717.2061770	0.19
1720.1418460	0.10
1726.6224370	0.03
1744.8718260	0.15
1750.1608890	0.03
1751.7303470	0.20
1760.5994870	0.15
1768.0583500	0.07
1783.5408940	0.14
1794.8699950	0.13
1800.8836670	0.14
1804.1317140	0.01
1821.7618410	0.05
1822.6934810	0.07
1825.1280520	0.06
1833.7243650	0.77
1836.0296630	0.13
1838.4000240	0.04
1839.5852050	0.48
1841.3919680	0.07
1843.5974120	0.19
1844.7668460	0.11
1847.4343260	0.02
1850.3386230	0.06
1865.9693600	0.04
1867.0208740	0.15
1869.1770020	0.03
1878.8070070	0.09
1883.2952880	0.10
1884.0485840	0.06
1887.1916500	0.07
1888.7142330	0.02
1890.6055910	0.15
1898.1663820	0.23
1901.2176510	0.08
1902.8664550	0.65
1905.4508060	0.17
1906.8298340	0.06
1910.9110110	0.12
1912.0089110	0.09
1914.1390380	0.10
1916.1407470	0.04
1916.7557370	0.02
1918.5808110	0.20
1919.7159420	0.09
1920.3804930	0.24
1922.4224850	0.14
1927.0065920	0.03
1932.3975830	0.07
1935.7252200	0.03
1937.3927000	0.02
1938.5455320	0.01
1939.8707280	0.03
1942.3175050	0.04
1947.1247560	0.02
1948.1071780	0.03
1952.5858150	0.18
1954.0402830	0.25
1956.5518800	0.15
1969.7418210	0.63
1971.9180910	0.31
1975.3126220	0.43
1976.4919430	0.02
1979.2604980	0.40
1983.1285400	0.02
1983.9177250	0.04
1985.8800050	1.02
1988.4393310	0.22
1990.3802490	0.12
1991.6931150	1.04
1992.6730960	0.02
1993.9278560	0.19
1994.9500730	0.26
1995.5806880	2.23
1998.2601320	0.09
1998.9212650	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	298.11
Annotation	7-Methylguanosine
Peak:m/z	Relative Intensity
103.0301208	0.51
137.9972687	0.33
166.0677032	100.00
179.1217499	1.19
182.8729401	0.47
226.1240845	0.97
235.8363953	0.36
239.1009827	1.73
240.0514832	0.38
244.3898926	0.39
252.1698608	2.56
253.0249634	1.63
254.8312073	0.55
259.9864502	1.37
263.1790161	0.36
279.1345215	0.79
280.2512817	8.64
281.2203064	0.54
283.4907227	1.25
285.2852478	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	419.1347
Annotation	Davidioside
Peak:m/z	Relative Intensity
173.2765198	0.09
174.9741211	0.17
212.2189941	0.06
228.9927521	0.17
243.9055786	0.13
245.1132507	0.47
256.1091614	0.37
271.1450195	0.04
272.1167297	0.27
273.1516113	12.08
293.2140503	0.03
315.1356506	0.02
329.1087646	0.02
332.1140137	0.02
346.3781128	0.03
354.2153931	0.07
356.4010925	0.02
357.2444458	0.04
370.7735291	0.16
373.1419678	100.00
373.7571716	0.34
375.2497559	0.34
375.9513855	0.03
390.8665466	0.17
401.0542603	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	755.2435
Annotation	Aurantoside I
Peak:m/z	Relative Intensity
229.0801544	0.03
239.4460754	0.04
240.9544983	0.07
245.0970154	0.05
254.8610229	0.05
267.1240845	0.03
268.2087402	0.05
269.2772217	0.14
271.2590942	0.04
272.1388550	0.11
275.0010986	0.06
285.0511475	0.04
287.1934509	0.35
288.0811768	0.04
290.1356812	0.11
300.9644775	0.13
304.6325989	0.08
311.2255249	0.09
313.2212219	0.09
327.2524414	0.14
329.2355957	1.09
335.0722351	0.06
338.3555908	0.03
341.2526550	0.09
343.3183594	0.04
353.2074585	0.07
355.2991333	0.05
357.3062744	0.18
359.1289673	0.14
359.9849548	0.03
371.7047729	0.02
377.1174316	1.08
379.4167480	0.05
383.1860352	0.22
387.0260620	0.09
388.2306519	0.05
395.3589478	0.19
397.2401123	0.19
399.4479980	0.12
400.1278687	0.03
411.5088501	0.56
412.2365723	0.03
413.3256226	0.46
414.7138672	0.08
415.3485107	1.86
429.2991943	0.71
431.2662964	12.30
432.1958618	0.11
439.2380371	0.10
441.2968140	0.07
442.2521973	0.12
443.2785034	0.15
445.3553467	0.18
446.3029175	0.06
455.3223877	0.03
457.3483887	0.10
458.9681396	0.08
459.8599854	0.10
472.4071045	0.10
473.3195190	1.05
477.3304443	0.03
479.5373535	0.06
483.1359253	0.08
485.1667480	1.26
488.2091064	0.05
501.3280029	0.33
502.5112305	0.25
515.3405151	0.12
517.2227783	0.02
531.5356445	0.07
533.3125000	0.02
536.9264526	0.03
539.2092896	0.88
545.2474365	0.01
549.3446655	0.03
555.7166138	0.10
557.2836304	0.38
571.5262451	0.06
573.2808838	0.22
575.3079834	5.80
576.1994019	0.05
577.4590454	0.33
589.4254761	0.03
590.2159424	0.04
591.4946899	0.95
592.4739990	10.88
593.4219360	100.00
594.5567017	0.13
607.3798828	0.29
609.0356445	0.02
621.4500732	0.12
624.9323120	0.03
635.4617920	2.12
647.5596313	0.05
654.7474976	0.14
662.6223755	0.03
663.4007568	0.90
670.8539429	0.11
675.3154907	0.07
691.0469360	0.06
693.2568970	0.26
694.3209839	0.05
708.3167725	0.08
709.0137329	0.23
726.6879272	0.02
735.2725830	0.17
736.7972412	0.22
737.5581055	0.71
750.7416992	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1076.97
Annotation	Unknow
Peak:m/z	Relative Intensity
340.2442322	0.18
361.9893799	0.14
373.2775879	0.06
382.2375488	0.12
390.0743713	0.09
542.5142212	0.15
570.9616089	0.07
582.8457031	0.15
604.2739258	0.27
644.5031738	0.17
663.5242310	0.16
700.8162842	0.04
705.7615967	0.09
732.6723022	0.08
809.0224609	0.12
851.5698242	0.06
868.5666504	0.07
906.8868408	0.05
919.4692383	0.04
920.8237305	0.10
933.0150146	0.12
934.9000244	0.11
935.9010010	0.08
936.6380615	0.08
941.0612793	0.10
941.8206787	0.64
951.2878418	0.11
953.1906738	0.60
954.4952393	0.38
962.3194580	0.29
963.3920898	0.26
964.0882568	0.12
970.1793213	0.44
971.4421387	0.08
974.9907227	0.60
975.7813721	0.52
977.2414551	0.35
983.1381836	1.07
986.4661865	0.09
987.4975586	1.40
990.5443115	0.22
992.0522461	0.25
993.5250244	0.13
994.5617676	0.69
996.3701172	0.62
997.1761475	0.04
1000.6362300	0.46
1002.6237790	1.21
1004.2414550	1.06
1004.9398190	0.38
1005.5678710	0.47
1007.2570800	1.76
1008.7624510	1.31
1009.8399660	0.76
1011.3574220	0.61
1012.0710450	0.16
1013.1870120	0.51
1015.7807620	1.14
1018.5238040	0.95
1019.9498290	0.19
1021.5551760	0.17
1022.9702150	0.97
1024.0788570	0.34
1025.6707760	0.16
1028.6166990	2.05
1030.7965090	1.79
1031.6031490	0.41
1032.7453610	4.26
1033.5466310	0.03
1034.4929200	0.60
1035.2623290	3.05
1037.0711670	7.15
1038.8948970	0.48
1039.5480960	6.21
1041.3110350	7.09
1042.3776860	0.79
1043.9316410	16.60
1045.4548340	0.96
1047.1413570	0.18
1048.3825680	17.25
1049.3197020	0.27
1049.9931640	0.56
1050.8659670	0.03
1051.7277830	0.07
1052.4223630	0.04
1053.2625730	0.86
1054.0275880	0.10
1055.3112790	0.30
1057.8356930	0.17
1059.1636960	1.08
1061.4278560	0.28
1063.7071530	0.89
1065.7285160	0.49
1117.2136230	0.08
1153.9708250	0.09
1156.8657230	0.18
1162.7775880	0.16
1165.0960690	0.29
1186.3289790	0.13
1187.6634520	0.44
1193.3828120	0.09
1196.7749020	0.11
1208.3967290	0.51
1210.0971680	0.09
1211.7835690	0.58
1212.7070310	0.35
1214.1973880	0.06
1215.3583980	0.61
1217.1141360	0.40
1219.8543700	0.47
1221.7109380	0.07
1222.9611820	0.15
1223.6406250	0.25
1225.3015140	0.16
1234.8956300	0.05
1239.2978520	0.19
1243.6833500	1.29
1244.8283690	0.78
1246.4534910	0.43
1248.2768550	0.24
1252.2478030	0.95
1254.5463870	0.34
1256.4340820	0.66
1257.8444820	1.05
1258.4631350	0.49
1259.1368410	0.18
1267.7873540	0.27
1269.2585450	0.25
1270.3597410	0.29
1271.2246090	0.63
1272.3957520	0.50
1274.5867920	0.15
1275.2624510	0.19
1277.0024410	1.92
1277.7612300	0.24
1278.7122800	0.18
1281.0434570	0.11
1281.7441410	0.05
1282.7033690	0.21
1283.7189940	0.14
1285.7568360	1.03
1286.6751710	0.23
1288.1873780	0.78
1290.3593750	0.06
1291.5786130	0.14
1292.1959230	0.21
1293.5699460	0.36
1296.2629390	0.41
1297.2432860	1.16
1298.7531740	1.09
1299.9558110	0.20
1300.9584960	0.27
1301.5738530	0.15
1303.1668700	0.98
1305.2255860	1.37
1306.8452150	0.12
1307.6586910	0.23
1309.0446780	2.37
1309.6452640	0.57
1310.2908940	1.25
1311.3464360	0.46
1312.5339360	0.09
1314.5589600	2.12
1315.2395020	0.87
1315.9537350	0.89
1316.7237550	1.02
1318.7336430	0.51
1320.1638180	0.21
1321.4812010	0.86
1323.0036620	0.67
1325.1481930	0.76
1326.1424560	1.45
1327.9814450	0.80
1329.3142090	1.05
1330.3388670	0.72
1331.2156980	0.49
1333.5505370	0.56
1334.8493650	1.76
1336.1903080	2.03
1336.9343260	1.29
1337.6041260	0.22
1338.7142330	1.07
1339.3677980	0.30
1340.2316890	0.38
1340.8792720	1.97
1341.9495850	0.51
1342.6905520	2.30
1344.0603030	1.70
1344.8554690	0.26
1345.7286380	0.22
1346.8076170	0.16
1348.0487060	4.09
1349.0825200	0.73
1350.6905520	1.07
1353.5485840	6.06
1354.2644040	2.83
1354.9367680	0.34
1355.8642580	0.08
1356.7476810	0.38
1357.7952880	0.40
1358.7010500	1.00
1359.7928470	24.15
1360.9592290	0.64
1362.1950680	0.58
1363.8223880	1.89
1367.3140870	0.11
1368.1571040	0.16
1369.0883790	0.40
1370.6783450	0.57
1372.1549070	0.26
1373.3463130	0.83
1374.5621340	0.23
1376.6995850	1.91
1379.7163090	1.62
1380.9982910	1.23
1382.0153810	0.75
1382.6966550	1.95
1384.3671880	0.18
1385.5449220	8.30
1386.1474610	2.77
1386.8699950	1.26
1388.0543210	3.51
1391.5352780	27.14
1392.9520260	0.60
1393.8179930	0.31
1394.8852540	0.22
1397.3897710	100.00
1398.4893800	1.57
1399.5668950	0.14
1400.6428220	0.51
1402.6932370	0.22
1403.4986570	0.80
1404.1621090	0.25
1405.6754150	0.55
1408.4538570	0.11
1409.5863040	0.09
1411.3890380	0.74
1414.5563960	0.05
1419.4488530	0.16
1437.0383300	0.20
1451.3503420	0.04
1457.7314450	0.20
1469.7268070	0.13
1482.1839600	0.05
1491.2141110	0.05
1491.9114990	0.11
1503.8532710	0.30
1506.9609380	0.04
1526.2589110	0.14
1527.5035400	0.05
1532.7163090	0.14
1573.2873540	0.19
1585.2863770	0.03
1587.5505370	0.11
1594.2066650	0.08
1594.8480220	0.38
1602.1094970	0.11
1616.1081540	0.57
1621.1004640	0.30
1633.3383790	0.20
1648.5689700	0.17
1650.4935300	0.19
1652.9007570	0.32
1656.6086430	0.04
1661.4781490	0.10
1663.3859860	0.04
1665.0238040	0.37
1702.9206540	0.15
1709.1901860	0.10
1713.4523930	0.29
1717.2414550	0.19
1730.5456540	0.05
1734.9263920	0.13
1737.3511960	0.30
1739.0345460	0.63
1740.1124270	0.09
1745.3775630	0.18
1746.7067870	0.32
1750.9924320	0.28
1755.0921630	0.03
1756.4073490	0.06
1765.0047610	0.03
1768.7277830	0.14
1783.8845210	0.25
1787.0372310	0.10
1787.8604740	0.20
1788.5104980	0.12
1791.1340330	0.12
1796.8245850	0.13
1801.7882080	0.30
1814.5499270	0.05
1816.2552490	0.07
1819.6102290	0.19
1822.9982910	0.15
1824.1345210	0.21
1824.9953610	0.24
1829.9890140	0.34
1830.7677000	0.13
1835.9102780	0.11
1836.6466060	0.20
1838.5007320	0.07
1845.0560300	0.29
1851.4947510	0.16
1853.2282710	0.10
1859.0642090	0.05
1861.3620610	0.89
1862.8377690	0.34
1866.7823490	0.27
1870.3475340	0.09
1872.8342290	0.10
1875.3170170	0.18
1878.0777590	0.44
1879.1009520	0.05
1879.7232670	0.04
1880.4500730	0.08
1882.2468260	0.05
1883.2977290	6.09
1885.3254390	0.33
1887.5606690	0.30
1890.3336180	0.06
1895.3475340	0.06
1896.1916500	0.17
1897.7860110	0.59
1899.6437990	0.41
1900.2702640	0.32
1901.0715330	0.28
1902.9953610	0.10
1903.7789310	0.29
1904.8150630	1.14
1906.0325930	0.32
1906.9566650	0.38
1908.1036380	0.11
1909.3963620	0.08
1911.2537840	2.10
1913.6986080	1.08
1914.5891110	0.58
1915.2166750	0.04
1916.0416260	0.34
1919.8057860	0.11
1924.0251460	4.90
1927.1643070	1.43
1928.3529050	0.03
1929.3812260	0.19
1930.0101320	0.81
1931.6500240	0.08
1932.6070560	0.19
1935.6602780	0.21
1940.7624510	0.88
1941.8453370	24.89
1943.0412600	0.22
1943.7648930	0.31
1946.0084230	0.12
1949.4157710	0.04
1950.3648680	0.07
1952.9022220	0.37
1953.6706540	0.15
1955.8912350	0.05
1957.0264890	1.17
1957.6458740	0.43
1958.6560060	0.06
1959.4211430	0.24
1964.0939940	0.09
1965.3381350	0.04
1966.2615970	0.08
1967.2150880	0.16
1968.2619630	1.66
1970.9691160	0.56
1972.2901610	0.60
1973.3112790	0.96
1975.0627440	0.39
1978.3787840	0.64
1979.0614010	0.02
1980.6384280	0.20
1982.7711180	0.43
1983.5773930	0.18
1984.6702880	0.06
1987.1702880	0.18
1988.9016110	0.27
1994.0042720	3.67
1995.2771000	0.31
1996.7790530	0.04
1997.6898190	0.05
1999.9499510	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
94.06031036	0.44
122.8109894	2.43
151.9961548	2.88
167.0336609	100.00
168.9277344	0.25
199.0596619	0.32
207.9736938	0.30
233.1139526	0.37
235.111908	0.21
236.0149231	0.35
237.2133179	0.17
243.0847168	0.34
245.1440735	0.65
255.0287476	0.14
261.2639465	0.63
283.0180664	5.76
284.3543091	0.18
285.3145142	1.70
290.7782898	1.01
293.2069397	2.21
294.9975891	0.86
299.3410034	0.18
300.8453674	0.17
309.2185669	0.98
310.9328613	3.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.8
Annotation	Unknow
Peak:m/z	Relative Intensity
144.9995117	0.01
154.1179810	0.06
173.1810455	0.10
174.1548004	0.20
218.8694458	0.20
240.4208679	0.04
274.2368469	0.01
302.9664307	100.00
303.7779541	0.01
315.0770264	0.04
343.4065247	0.07
369.7046204	0.04
370.3232727	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.2862
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
179.3901215	0.06
221.1397400	0.17
226.0642853	0.08
235.1728973	0.10
249.0658569	0.09
254.8346558	0.12
277.4196777	0.03
309.4288330	0.05
313.1508179	0.05
318.3419189	0.07
321.1480713	0.06
323.4442139	0.09
340.7280884	0.07
361.2687378	0.05
399.3574219	0.08
411.3670654	0.08
412.0946045	0.13
415.1755981	0.06
416.5643921	0.10
445.2781982	0.10
453.1480713	0.14
454.5035400	0.07
457.3966064	0.10
479.4451904	0.15
487.2328491	0.17
489.1882324	0.17
490.3551636	0.08
529.0474243	0.12
531.3750610	100.00
532.0059204	0.28
533.5003052	0.07
540.9840698	0.21
557.2742310	0.14
558.8827515	0.86
559.5435181	0.08
560.1741333	0.06
561.5525513	0.11
568.1213989	0.08
578.4276733	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	581.2405
Annotation	Biliverdin
Peak:m/z	Relative Intensity
177.9115601	0.03
183.2719727	0.03
213.2208557	0.11
215.0508118	0.05
238.4641724	0.12
239.3121796	0.58
240.1931458	0.15
241.2858887	0.64
242.3633118	0.19
244.4614563	0.05
250.2996368	0.05
251.3889618	0.09
253.6196442	0.10
275.1717224	0.24
279.1704712	0.03
285.2672729	0.33
287.1478271	0.15
288.1778564	0.04
301.3399658	0.11
305.5743103	0.09
313.2322693	0.06
318.3060303	0.05
344.2940674	0.46
351.5465698	0.08
356.4157715	0.33
358.2426758	3.73
359.4269409	0.55
360.6566162	0.16
368.3669434	0.21
369.4891357	0.59
370.3143311	0.51
372.5110474	0.44
392.1250000	0.04
396.4077148	0.05
402.2670898	0.45
412.3100586	0.53
413.4030762	0.36
414.2031250	0.16
416.2302856	0.97
417.2249146	0.47
421.4932861	0.09
422.5823364	0.09
423.2879639	0.11
434.3253784	0.05
445.9560547	0.04
448.6098633	0.05
450.3582764	0.47
451.3681641	0.02
465.1644287	0.68
466.2106934	0.07
467.7028809	0.15
471.3355103	0.05
477.3549194	0.34
479.4749756	0.23
486.4183960	0.07
493.4053345	36.57
494.3717651	12.85
497.4426880	0.03
500.6429443	0.10
501.3638916	0.08
504.2798462	0.11
505.3869629	0.04
507.5939331	0.12
510.1602783	0.15
514.2076416	0.10
519.3766479	1.01
520.3977051	0.22
523.3829346	0.15
529.6078491	0.03
537.3369751	100.00
538.3849487	38.95
544.0758667	0.04
545.5786743	0.16
555.0880127	0.04
563.3711548	2.07
564.3801270	1.12
572.6137085	0.15
577.3716431	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
90.92555237	0.33
95.07003784	0.43
96.8742981	1.10
99.98580933	0.17
104.9701385	0.18
106.7671661	0.10
109.0217819	1.18
112.9440994	0.71
116.1876831	0.16
117.0569	0.35
118.9087372	0.21
120.987442	1.94
123.0290375	1.55
125.0078888	0.34
129.1447906	0.33
135.0263824	0.90
136.992218	0.89
138.9382935	2.33
142.9687958	0.61
147.1881714	0.24
148.8257446	0.55
151.296875	0.76
153.0447388	1.65
155.0401306	0.52
157.2524109	0.16
159.0602417	0.16
161.0262146	0.20
163.1623535	0.38
165.2407379	0.30
167.2492981	0.71
171.2142639	1.71
172.8934174	0.15
175.0316772	1.24
179.783844	0.19
181.1890259	0.60
183.104126	2.25
185.0565186	0.62
187.3604279	0.66
189.5977783	0.89
191.0802155	0.45
193.2667542	0.68
195.2637329	0.53
197.0792236	4.87
199.3209229	0.57
201.1033936	0.49
203.138031	0.69
207.2894897	0.60
211.006134	1.37
213.260498	0.54
215.105835	0.35
217.3337097	0.12
219.303009	0.67
221.2957153	3.95
223.309967	0.53
225.0441589	2.85
226.8098145	1.25
227.4606934	0.40
233.0671082	2.50
237.2579651	3.54
239.2236023	11.24
243.1991577	2.21
248.611908	0.24
251.2631836	2.71
252.9830322	0.83
253.6516418	0.46
255.1973572	1.22
257.0541382	1.34
261.3262024	2.04
271.00354	0.28
279.2341919	100.00
279.9806213	0.99
280.8272095	0.22
288.0802612	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	193.0718
Annotation	Mytilitol
Peak:m/z	Relative Intensity
58.9106598	0.28
66.9648972	0.04
71.0091400	0.01
72.9324570	0.18
82.9781799	0.39
85.0331116	4.71
85.9357681	0.11
87.1295547	0.02
87.9375915	0.02
89.0008621	0.03
92.9365387	0.04
94.9870300	0.41
97.0693970	0.14
99.0410461	0.03
101.0979614	0.31
102.9444427	0.52
109.0659332	0.03
111.0837097	0.70
111.8267517	0.06
113.0305786	0.22
115.0400543	0.02
127.2593689	0.03
128.7713318	0.62
130.9827423	9.48
139.0367279	0.37
147.0413666	0.46
149.0901794	0.20
149.9812927	0.04
157.0651398	0.67
166.0798187	0.04
172.0869293	0.06
173.0950775	0.29
174.9965363	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.17
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
94.96076965	0.91
169.9304047	8.38
183.0085144	100.00
183.9966278	14.89
197.1271057	10.13
198.2187195	4.51
199.3364258	0.65
210.9802551	2.39
212.0083923	2.27
213.1660767	1.18
225.3208923	4.22
226.1391602	2.37
239.1703491	11.50
239.7727966	0.39
245.442688	1.66
247.2824707	7.16
249.3794556	8.60
251.2372437	3.11
253.6008301	2.38
255.4346619	3.17
267.3808289	16.51
268.2869873	3.23
271.1543274	2.38
275.0783081	0.86
282.2337646	1.18
287.0949707	0.82
293.1434937	44.91
293.7670898	0.68
295.1854248	2.91
295.9662781	1.12
311.3533936	8.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	243.04
Annotation	CGP 52608
Peak:m/z	Relative Intensity
78.9121399	10.03
81.0171890	0.07
96.8442383	100.00
104.0316772	0.09
122.8857880	0.19
127.9136505	0.15
145.0570374	28.38
153.1223602	0.15
170.9207306	0.17
182.2707672	0.04
183.1095734	0.16
202.0618439	0.06
207.0068665	0.19
214.4391022	0.04
225.0436554	10.35
226.0523834	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
95.16002655	0.99
100.9498825	1.20
107.1848145	0.46
110.7307587	3.68
123.0278015	0.64
129.2097015	0.81
135.1122742	1.17
137.2690125	0.38
139.1095581	0.58
141.1430664	1.43
143.1114807	0.95
151.1374664	1.38
155.0780029	0.62
157.3019409	0.64
158.974762	1.69
168.8454132	2.38
173.2501831	0.91
177.1439819	0.98
181.218689	2.89
183.1187744	1.14
189.0161285	1.88
191.2088776	2.12
193.1122131	0.68
194.8055115	1.13
196.9307556	0.93
199.1664734	1.03
205.1541443	2.53
207.1491394	3.09
209.1531677	1.29
211.2547302	3.89
213.161499	2.43
220.420929	0.79
221.2048645	1.05
223.1890564	1.05
225.1314392	1.33
226.2637329	0.38
227.3401489	0.81
228.1054688	1.63
229.3743591	1.71
232.4964294	0.75
235.2088928	1.36
235.8192139	0.87
239.3727112	0.50
240.3721924	0.46
245.0910645	1.16
247.5078735	0.58
249.2824707	0.46
251.3262939	5.37
253.1265564	2.16
257.2216797	0.56
265.2823181	5.66
267.130249	1.18
268.1556702	1.62
269.116394	0.71
271.1062012	1.96
275.3904419	8.38
283.2760925	4.94
293.2164612	100.00
302.2514038	1.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1426.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
470.5060425	0.56
486.1696167	0.18
513.8563232	0.20
530.3548584	0.27
541.4748535	0.16
551.4317017	0.13
560.5120850	0.49
575.6311035	0.10
578.3985596	0.28
579.5112305	0.20
594.2284546	0.36
595.2092896	0.53
612.1455078	0.61
615.3488159	0.15
618.3692627	0.10
639.9182129	0.33
641.5786133	1.56
642.5551758	0.46
651.1558838	0.32
659.7425537	0.45
662.5104980	0.26
664.4738159	0.27
677.3031006	0.33
687.2409668	0.12
701.2833252	0.16
720.2430420	0.11
733.6409302	0.26
760.7712402	0.52
762.3052368	0.24
771.8627930	0.35
776.0654297	0.34
777.3852539	0.27
781.6416016	1.23
812.4290771	1.07
817.4824829	0.21
823.2709351	0.19
824.6282959	0.46
833.3850708	0.09
843.5520020	0.35
847.7986450	0.78
848.9321289	0.25
850.2650146	0.42
859.0009766	1.28
861.2448120	0.35
871.0671387	0.70
874.4752197	0.13
879.4852295	0.66
882.0615234	0.31
887.4250488	0.32
893.5012207	0.37
900.7513428	0.48
915.3205566	0.18
919.8208008	0.19
923.2058105	0.63
925.5274658	0.35
927.1156006	0.49
929.9980469	0.10
930.6687012	0.55
947.6091309	0.71
948.5374756	0.19
951.4465332	0.28
955.6842041	0.84
959.3243408	0.74
964.4544678	0.32
967.7653809	0.37
970.5994873	0.28
977.9770508	1.13
978.7127686	0.87
980.5782471	0.87
983.5998535	0.62
985.4959717	0.16
986.5788574	0.69
987.1848145	0.18
988.8044434	1.59
990.7578125	0.87
991.6193848	0.37
994.3369141	0.61
995.5682373	4.87
996.1798096	0.39
996.7934570	0.46
1000.9749760	5.42
1002.3367920	3.77
1003.1264650	0.70
1004.3330080	0.66
1008.3239750	0.49
1011.7473140	0.73
1013.5916750	0.12
1014.6341550	0.17
1015.8884280	1.05
1017.2099610	5.97
1018.2742920	6.79
1018.8771970	1.36
1019.6417240	0.68
1021.6462400	0.22
1025.6265870	0.63
1031.5356450	0.63
1033.2747800	1.46
1034.1521000	0.31
1037.3718260	0.61
1039.4157710	0.11
1042.4239500	1.04
1043.4233400	0.47
1044.6682130	0.15
1047.7146000	1.34
1048.3819580	0.72
1049.4968260	2.59
1051.0964360	1.07
1053.5216060	0.12
1056.4483640	0.18
1058.2443850	0.30
1063.6188960	1.32
1064.5860600	1.09
1065.5412600	0.29
1066.8500980	0.78
1067.5705570	0.90
1070.1843260	0.14
1072.5166020	0.36
1074.6403810	0.81
1078.4588620	0.63
1080.5515140	1.21
1081.8327640	2.69
1082.5700680	1.58
1083.5177000	1.01
1084.3638920	2.16
1084.9643550	0.97
1086.8178710	0.82
1087.9145510	0.64
1089.0300290	0.39
1090.4807130	2.55
1091.0903320	0.55
1091.8708500	0.64
1093.6446530	0.99
1096.7358400	1.65
1099.4250490	0.20
1100.8977050	1.98
1106.9052730	1.47
1107.6313480	1.13
1109.7988280	1.10
1113.4705810	1.13
1114.4202880	1.31
1116.4102780	0.20
1117.0446780	0.59
1118.4138180	0.17
1121.8389890	1.06
1123.0419920	2.54
1123.7093510	0.50
1124.8939210	0.15
1131.4633790	0.67
1136.0207520	0.85
1144.5997310	0.98
1145.4027100	0.84
1148.0668950	0.72
1158.0632320	0.14
1159.6318360	0.15
1162.1726070	2.03
1164.2606200	0.15
1167.6074220	0.37
1168.4577640	0.98
1169.6315920	2.49
1170.9699710	0.28
1172.2905270	0.51
1173.0133060	0.52
1174.1093750	0.83
1176.3021240	0.49
1177.4512940	0.44
1179.5988770	0.27
1180.6750490	0.21
1183.6855470	0.29
1185.3020020	0.47
1187.8764650	0.24
1190.8189700	0.17
1192.2774660	0.11
1193.2072750	0.23
1194.7333980	0.47
1195.7106930	1.77
1198.3908690	0.54
1203.8940430	0.18
1208.4870610	0.61
1209.5144040	0.76
1210.4353030	0.12
1211.6651610	0.91
1212.3201900	0.52
1216.1489260	0.33
1218.4617920	0.42
1228.2041020	0.16
1233.4855960	0.62
1235.2336430	0.25
1236.0817870	0.76
1236.8918460	0.43
1238.2395020	0.42
1241.3237300	4.08
1242.6154790	0.46
1243.6181640	1.31
1244.3082280	0.34
1245.1481930	0.85
1247.2866210	0.91
1248.1843260	1.00
1251.3375240	0.76
1253.0581050	2.63
1253.6872560	0.60
1254.8315430	0.61
1255.4643550	0.76
1256.3502200	0.90
1257.7795410	0.34
1258.8995360	1.66
1259.8182370	1.86
1261.0793460	0.30
1262.8852540	1.04
1263.9385990	2.30
1265.3781740	1.24
1266.4345700	1.13
1267.5070800	3.80
1268.6645510	0.27
1270.1728520	2.39
1272.4338380	2.01
1273.0706790	0.17
1274.0490720	1.47
1275.3820800	0.87
1276.0289310	0.57
1277.0302730	2.53
1277.8099370	0.58
1279.5057370	0.32
1283.7717290	1.66
1284.8280030	0.14
1285.8582760	0.72
1287.4960940	0.85
1288.8968510	1.49
1289.8835450	2.41
1292.7285160	0.15
1295.0021970	5.68
1295.6990970	0.70
1298.0781250	4.55
1299.2130130	4.33
1300.4025880	4.95
1301.3240970	0.27
1302.1120610	0.26
1303.6782230	3.11
1304.5706790	2.01
1305.2955320	1.24
1306.2502440	0.72
1309.5274660	7.43
1310.4174800	1.46
1311.1679690	0.47
1312.8396000	0.17
1313.8928220	0.50
1315.3430180	5.36
1317.5649410	1.62
1321.0435790	3.54
1321.7247310	0.71
1322.7326660	3.04
1323.4689940	0.85
1324.4763180	0.38
1325.3391110	0.10
1326.4891360	3.64
1327.4814450	1.18
1328.1015620	0.36
1329.8792720	1.28
1330.8544920	2.03
1332.1228030	1.26
1334.3962400	1.58
1337.2192380	0.92
1337.8953860	0.67
1340.3062740	1.95
1341.4331050	1.08
1342.3510740	1.41
1343.6820070	1.76
1346.3684080	1.47
1347.7189940	1.74
1348.4429930	0.80
1349.1364750	0.33
1350.6152340	1.76
1351.4006350	7.76
1352.3402100	4.28
1353.0701900	1.94
1354.1081540	1.68
1354.7137450	1.25
1356.5756840	5.11
1357.8983150	1.96
1358.8365480	4.81
1359.6170650	1.42
1360.2559810	3.70
1361.8364260	9.94
1362.7048340	8.43
1363.5734860	7.76
1364.2434080	4.68
1365.9317630	2.44
1367.3679200	6.25
1368.3885500	5.71
1369.5161130	3.18
1370.4916990	9.30
1371.8813480	9.97
1372.8466800	5.15
1373.7413330	13.43
1374.8742680	6.41
1375.6857910	2.01
1376.7746580	4.93
1377.5378420	10.44
1378.5753170	8.69
1379.3880620	11.24
1380.3493650	7.82
1381.6860350	8.48
1382.6141360	10.74
1383.5410160	8.55
1384.2188720	17.89
1384.9980470	25.15
1385.6964110	8.69
1386.6425780	9.23
1387.5899660	12.81
1388.3360600	23.99
1388.9870610	28.53
1389.8062740	10.20
1390.9575200	18.44
1392.4588620	10.60
1393.6560060	18.95
1394.9422610	49.43
1395.8366700	17.14
1396.5056150	8.22
1398.1080320	43.59
1399.0649410	38.29
1399.8977050	57.85
1401.0722660	31.91
1401.8489990	6.90
1402.5187990	11.68
1403.5183110	14.50
1404.4498290	14.32
1405.2985840	30.08
1406.4739990	100.00
1409.3666990	10.10
1409.9809570	36.16
1411.0965580	27.01
1412.1750490	19.66
1412.8850100	4.62
1416.6715090	0.10
1436.6363530	0.14
1438.9320070	0.58
1440.0205080	0.98
1448.0093990	0.25
1450.3629150	0.28
1455.0338130	0.18
1456.3499760	0.67
1457.8809810	0.71
1459.2030030	0.37
1460.5992430	0.33
1464.7218020	0.57
1465.4708250	0.13
1466.0772710	1.34
1467.1048580	0.20
1470.7004390	0.52
1472.8828120	0.39
1477.3835450	0.38
1478.6859130	0.49
1480.4241940	1.67
1481.0318600	0.49
1482.0948490	0.32
1483.4925540	0.30
1487.3769530	2.40
1488.7032470	0.54
1489.4053960	1.81
1492.1733400	0.65
1492.7889400	0.76
1494.3728030	2.29
1495.9234620	3.66
1497.1053470	1.18
1500.2906490	1.45
1502.2775880	1.31
1503.8247070	3.26
1505.0440670	0.80
1505.9588620	0.25
1507.2718510	0.90
1508.6734620	2.21
1509.4332280	2.20
1510.7332760	2.35
1511.7935790	0.14
1513.6007080	1.31
1517.4432370	0.48
1518.9980470	1.04
1519.8187260	1.48
1521.1983640	0.51
1522.7855220	0.25
1525.2492680	0.86
1526.8642580	2.53
1528.0357670	1.03
1529.6077880	0.46
1531.9422610	0.49
1532.9422610	0.43
1534.4669190	0.50
1535.9121090	3.46
1536.8070070	0.20
1541.7065430	5.11
1542.3624270	0.26
1542.9821780	0.59
1543.8933110	2.74
1548.4156490	0.38
1549.7348630	1.55
1551.2640380	0.76
1552.5784910	1.77
1553.8995360	1.78
1557.7215580	0.85
1558.5115970	5.25
1559.3444820	1.01
1562.8382570	0.18
1564.9295650	1.86
1566.1364750	0.41
1570.5911870	0.14
1573.9204100	1.86
1574.7974850	2.76
1575.4366460	0.69
1580.8598630	0.48
1581.9672850	0.69
1582.6271970	0.27
1584.2620850	0.16
1585.5039060	1.32
1590.2220460	0.80
1592.6075440	0.15
1601.3360600	0.28
1602.7011720	0.30
1608.2779540	0.56
1615.8197020	0.21
1636.3712160	0.49
1638.5833740	0.28
1643.8691410	0.28
1645.2386470	0.64
1647.8537600	0.81
1651.4957280	0.30
1657.9439700	0.18
1660.6635740	1.14
1667.4857180	0.52
1671.4238280	1.16
1674.6708980	0.46
1675.6672360	0.39
1678.8588870	0.55
1682.0384520	0.29
1687.3126220	1.31
1695.6514890	0.40
1698.8463130	0.42
1706.3060300	0.58
1710.1068120	0.90
1711.2263180	0.75
1714.3687740	0.66
1715.6322020	1.04
1718.0244140	0.54
1719.3536380	0.54
1720.0972900	1.13
1721.8026120	0.61
1725.8673100	0.47
1726.5617680	1.02
1728.5747070	0.42
1732.2821040	2.26
1732.9793700	0.43
1734.4488530	0.99
1737.5393070	0.31
1738.4304200	0.13
1739.3050540	0.27
1742.3729250	0.42
1746.0694580	0.77
1747.4992680	0.32
1749.3797610	0.28
1751.5574950	0.35
1752.7174070	1.61
1753.5479740	0.53
1754.2171630	0.62
1755.6168210	1.42
1760.7828370	0.43
1761.6541750	1.46
1763.2937010	1.18
1765.3309330	1.08
1766.4460450	0.33
1769.5457760	0.48
1770.4486080	0.80
1772.3254390	0.30
1774.1701660	1.59
1774.9572750	0.62
1777.1193850	0.45
1778.1116940	0.24
1779.5598140	1.60
1783.2608640	0.80
1783.8707280	0.37
1784.6375730	0.42
1785.8367920	0.93
1786.6749270	1.25
1788.0915530	0.85
1789.6584470	0.46
1790.2644040	0.17
1791.4459230	0.30
1792.8663330	1.06
1793.8948970	0.48
1795.5231930	0.10
1796.5286870	0.55
1797.2746580	1.98
1800.3712160	0.56
1801.8404540	2.59
1802.5882570	1.38
1803.8375240	0.74
1805.2409670	1.02
1806.7850340	0.84
1808.3430180	1.15
1810.1872560	2.75
1812.6843260	0.91
1817.7274170	0.87
1818.4094240	1.69
1819.0445560	1.22
1820.1073000	1.97
1826.9244380	0.33
1828.8345950	0.10
1833.2520750	0.30
1834.6351320	1.18
1837.7113040	0.45
1841.5362550	1.17
1843.7779540	0.47
1845.1578370	0.23
1846.7362060	0.21
1848.7286380	1.09
1849.3734130	0.99
1851.6979980	0.14
1853.5794680	0.53
1859.6008300	0.54
1860.6202390	0.13
1863.1838380	1.75
1867.1951900	0.53
1868.1705320	0.33
1869.0812990	0.27
1874.1154790	0.25
1875.2108150	0.08
1878.0246580	0.34
1881.0347900	0.75
1882.7642820	1.66
1886.2659910	0.17
1888.2410890	1.49
1890.2117920	0.28
1891.4235840	0.20
1893.5511470	1.53
1894.7166750	0.47
1895.7955320	0.22
1896.5520020	0.25
1898.1605220	0.37
1899.3186040	1.28
1900.2108150	0.22
1901.3800050	0.32
1902.5236820	0.64
1906.2219240	0.65
1907.9283450	0.14
1911.8822020	0.10
1915.8082280	0.51
1916.7434080	2.26
1917.3771970	0.08
1918.6636960	0.32
1919.8918460	0.25
1922.3729250	1.85
1923.6906740	1.64
1925.0511470	2.07
1926.2824710	1.09
1927.3640140	0.64
1929.3582760	0.08
1932.1937260	3.13
1933.3869630	1.91
1934.2424320	1.04
1935.4488530	2.22
1937.1341550	0.15
1938.1138920	2.52
1939.0880130	2.22
1941.0875240	1.71
1942.0036620	0.89
1944.5970460	0.82
1946.8026120	1.71
1947.7650150	2.04
1948.7170410	1.11
1949.4123540	0.91
1950.5255130	0.49
1951.7585450	0.13
1955.8204350	1.31
1956.8927000	1.08
1957.6374510	0.81
1958.6402590	1.23
1960.0875240	0.64
1963.6892090	1.78
1964.7056880	3.68
1965.7185060	2.48
1966.3450930	0.11
1971.1252440	0.18
1973.5687260	1.33
1974.3386230	0.35
1975.1007080	0.89
1979.1846920	0.87
1980.1198730	0.32
1980.9704590	0.32
1982.4090580	1.03
1983.0700680	0.74
1985.2692870	0.37
1988.4958500	0.42
1990.3039550	0.51
1991.1617430	1.10
1992.4241940	0.20
1993.0694580	0.11
1993.8366700	0.21
1997.0627440	0.30
1998.1854250	0.36
1998.8792720	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
95.01550293	0.30
106.9727859	0.81
109.0478516	0.55
110.9219818	2.19
120.9116135	0.78
124.8713608	1.06
126.7600861	0.10
128.912384	0.58
135.0772095	1.79
137.1000366	0.49
138.9892273	3.42
140.9960022	0.08
143.0367737	1.20
149.0151978	1.34
150.8235779	0.10
152.9905701	0.88
154.8411865	0.85
156.830658	1.52
162.1205292	0.38
163.1374359	0.23
165.1917419	0.29
167.1311035	1.90
169.0813751	1.04
171.0473022	0.20
172.9717102	0.16
176.0590515	0.52
177.0918274	0.74
179.1535492	0.23
181.0861206	1.94
183.1425629	0.82
184.1105347	0.43
185.4122314	0.42
192.9596863	0.16
197.2297211	1.35
198.2691956	0.67
205.2488708	0.85
209.2767029	1.46
210.996521	3.65
211.6288452	0.28
212.5113831	0.78
213.3075256	0.41
214.7134705	0.67
219.0561523	0.61
223.1820068	0.20
225.1061401	0.83
227.0473938	0.64
229.2530823	0.42
233.164978	0.54
235.2617188	1.00
238.7765808	0.40
239.5551758	0.18
241.2687988	0.60
242.5505371	0.18
247.246521	1.12
250.0849915	0.85
251.0542908	1.05
251.9328613	0.38
253.1920166	8.13
254.3325195	0.42
257.3356628	0.21
264.305542	0.87
265.3408813	0.37
267.0594482	1.01
268.2164612	0.36
269.3798828	1.23
270.2307739	0.24
273.2842407	0.43
275.2488098	14.78
283.2243042	11.03
293.2102661	100.00
293.8442383	0.71
301.7754211	1.52
302.9633179	1.26
305.6126099	0.28
311.3645935	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	239.14
Annotation	Secobarbital
Peak:m/z	Relative Intensity
72.0631332	0.81
88.9621887	0.63
104.8413391	0.25
110.2501373	0.12
119.2444000	0.22
133.0856323	2.04
135.3249207	0.10
150.9992676	4.96
157.3107910	0.15
163.2279205	0.15
173.6371460	0.18
177.1740570	0.51
195.0154877	0.42
197.0842438	0.21
197.9613647	0.28
209.5518646	0.18
220.0247345	1.64
222.0679779	100.00
223.0546417	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	614.74
Annotation	Unknow
Peak:m/z	Relative Intensity
179.1129150	0.14
193.1491089	0.09
211.0421753	0.14
212.1472321	0.10
230.9753571	0.11
234.9615326	0.12
276.2252197	0.18
290.3325806	0.20
305.3258057	0.08
322.0198975	0.20
323.2177124	0.59
337.2575684	0.81
338.3981934	0.56
355.1756592	34.28
356.1638794	40.16
357.1881714	13.93
381.4959106	0.31
408.0706177	0.15
409.3815308	1.33
410.2501831	1.53
411.1679077	1.63
415.2979736	0.36
436.3950195	0.26
438.1969604	0.16
452.0879517	0.17
455.3064575	0.16
466.4775391	1.26
467.3493652	2.75
468.1993408	1.59
484.2508545	31.80
485.2398071	100.00
486.2670898	24.56
516.1821899	0.68
517.1512451	0.11
538.0632324	0.13
539.3521118	2.67
540.3571777	0.54
545.6056519	0.39
559.9116211	0.09
569.9367676	0.88
570.6875000	0.36
578.1934204	0.73
585.8765869	0.26
594.0398560	0.16
596.2857666	28.79
597.3510742	4.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	725.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
217.1628113	0.14
219.0690002	0.08
221.1165771	1.80
222.4039307	0.07
235.1400757	0.49
236.0724945	0.06
239.1883545	0.85
243.4184265	0.10
263.0041809	0.61
263.6044312	0.08
275.1936035	0.06
305.2814941	0.79
310.2259216	0.19
323.0406494	0.13
330.4906311	0.10
332.2103271	0.09
347.2523804	0.26
365.1196289	0.10
366.4669189	0.11
383.2053223	2.56
384.0469360	0.26
401.3755493	2.37
402.3742676	0.69
407.3088379	0.04
424.8101196	0.09
426.5421143	0.08
449.5100708	0.05
455.3945312	0.07
484.4375000	0.15
501.6713257	0.12
527.2860718	0.58
543.4768677	0.09
545.3837280	32.06
546.5650024	7.94
559.1480713	0.05
563.4116211	100.00
564.4967041	24.37
569.4135132	0.14
587.5251465	0.50
605.3246460	0.33
607.3887329	0.21
615.3923340	0.06
619.6168823	0.21
630.4025879	0.21
642.3558960	0.08
659.6119995	0.29
664.4190063	0.06
679.3025513	0.50
690.4276733	0.35
707.4515381	25.31
708.5769653	7.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0024
Annotation	SC-58125
Peak:m/z	Relative Intensity
129.0255127	0.11
155.0202026	0.32
172.9989624	1.22
185.2551422	0.04
190.9972992	100.00
212.9586182	0.48
231.0207520	0.04
252.1259460	0.12
255.1256409	0.32
273.0938416	2.04
288.8427734	0.18
291.3124084	0.05
299.0223999	0.63
317.0395508	3.96
330.5382080	0.04
339.9640503	0.04
359.1524048	0.23
366.1110535	0.07
377.0542603	0.03
384.9157715	0.37
402.4657898	1.50
403.0987854	8.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.1384
Annotation	X 14847
Peak:m/z	Relative Intensity
118.0748749	100.00
165.1538391	0.91
224.2352600	0.68
224.9439392	0.37
241.0862427	1.91
278.9769287	2.44
281.2966003	0.44
281.9656372	1.01
296.2906799	3.07
297.9279785	0.43
304.1833801	0.45
323.9730225	6.58
325.3685913	1.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2827
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
115.8573303	2.35
138.781723	2.04
141.3739166	4.33
149.0223846	100.00
150.065979	43.01
166.9925232	36.76
168.2913818	0.86
202.8919067	3.16
210.9577332	2.24
233.1696777	5.41
234.1196594	1.17
245.0067749	1.67
251.1195984	4.29
257.750885	2.37
259.1266174	3.56
260.6239624	14.66
261.6108398	3.91
279.3118896	49.53
280.1673889	35.71
285.9466858	1.98
294.0648499	1.17
297.1590881	11.80
314.387085	0.96
315.3710022	1.78
317.0753174	3.48
319.9159851	1.38
326.3140564	7.37
330.2551575	4.66
346.0708008	17.30
347.2926636	1.06
348.0704956	3.15
354.390564	3.22
356.4464417	3.70
359.9022522	4.03
368.6858215	13.25
370.1994934	3.83
371.4688416	10.74
373.2111511	1.78
374.0697632	6.42
375.4014282	2.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
96.63999176	1.01
101.0220184	1.22
107.0933838	0.71
108.900116	0.53
113.0883484	1.19
122.9336853	5.38
126.9363556	1.02
135.1738892	4.42
136.8544006	0.63
139.2304993	0.67
141.0602722	0.76
147.4831848	3.26
161.1665802	0.43
165.2347412	1.60
167.276474	0.96
169.2048798	1.49
172.6047668	1.22
183.1373901	1.18
194.6793213	0.84
197.253006	6.53
201.1977539	0.63
204.9880371	1.11
207.3753662	2.52
210.9085388	4.22
215.1294556	1.33
219.2745361	3.59
221.190033	2.15
223.0721741	0.68
225.2358398	2.30
233.1876831	3.44
235.07724	0.73
237.0752869	6.96
239.1375122	12.35
243.6174316	0.91
251.2497559	5.97
255.0532532	1.05
256.0616455	1.33
261.3967896	5.87
279.2367859	100.00
280.3343506	0.53
281.1597595	1.76
296.591217	2.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	259.0917
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
83.9214172	0.49
105.1421967	0.10
129.9355164	100.00
132.1009369	0.16
135.6782227	0.16
139.3177643	0.15
184.8270721	0.50
195.2518311	0.15
202.7790527	0.23
217.8798676	0.17
223.2729645	0.07
230.2687836	0.09
240.8805084	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1078.46
Annotation	Unknow
Peak:m/z	Relative Intensity
320.0347290	0.20
358.1886902	0.03
372.0009766	0.12
373.5919189	0.05
378.9886475	0.06
395.1846924	0.05
402.1413574	0.14
419.0858154	0.03
421.9115906	0.19
439.3343506	0.02
460.7396545	0.06
463.3424988	0.03
477.2523804	0.06
490.6601257	0.05
515.4931641	0.03
528.4728394	0.02
541.5360107	0.06
594.6309814	0.13
653.3002930	0.05
698.4544067	0.14
705.2451782	0.03
718.2653198	0.06
734.3956299	0.09
749.5278320	0.13
781.9552002	0.07
812.4378662	0.02
837.0935059	0.11
838.0437012	0.02
852.0710449	0.09
871.6387939	0.08
874.2454834	0.04
905.7099609	0.03
914.7590332	0.36
937.1131592	0.08
941.0068359	0.03
945.2741699	0.20
947.2054443	0.26
949.6925049	0.12
962.4702148	0.43
969.3325195	0.08
971.0571289	0.21
971.7496338	0.03
973.1950684	0.06
974.8566895	0.10
975.5737305	0.38
979.6271973	0.21
980.9760742	0.08
984.1958008	0.46
986.0473633	0.22
986.6961670	0.51
988.0032959	0.07
989.1057129	0.24
992.0092773	0.31
994.3298340	0.20
995.0722656	0.60
996.4116211	0.04
998.0056152	0.12
1000.2512210	0.32
1000.9727780	0.33
1003.4552000	0.19
1004.2479250	0.44
1005.2537840	0.87
1006.5153810	0.85
1007.6179200	0.88
1008.4343260	0.56
1009.7321780	0.30
1011.0977780	0.37
1012.5162350	0.88
1013.9239500	0.14
1014.8688960	0.09
1016.3907470	1.36
1017.4692380	0.13
1018.3531490	0.23
1019.8989260	0.58
1021.0371090	1.20
1022.3337400	0.34
1024.2687990	0.99
1025.2625730	0.29
1026.6217040	0.36
1027.2446290	0.73
1028.7921140	0.90
1029.4626460	2.24
1030.2310790	0.42
1031.3944090	2.42
1032.2290040	0.61
1033.5135500	5.04
1034.5026860	0.74
1035.3808590	0.99
1036.0402830	1.75
1037.5646970	5.22
1038.2934570	2.33
1039.0567630	0.45
1040.3327640	7.71
1041.1455080	2.72
1042.2998050	7.81
1043.1158450	0.75
1044.8297120	23.75
1046.2912600	0.62
1047.4185790	0.47
1049.2150880	13.21
1050.0236820	1.96
1051.2950440	0.12
1053.0662840	1.86
1054.0537110	0.13
1054.7821040	0.03
1055.9777830	0.32
1057.3254390	0.29
1058.8957520	0.03
1059.8446040	1.27
1060.7086180	0.35
1062.1232910	0.53
1062.8187260	0.77
1064.6799320	1.32
1065.7373050	0.09
1066.7475590	1.36
1067.4758300	0.58
1103.7525630	0.13
1105.7934570	0.09
1107.6284180	0.18
1109.0618900	0.13
1112.8502200	0.07
1116.9240720	0.21
1123.7995610	0.04
1128.0711670	0.19
1131.9272460	0.04
1137.9018550	0.10
1156.2427980	0.14
1156.9984130	0.02
1163.2377930	0.27
1171.8104250	0.14
1175.1652830	0.15
1176.7426760	0.18
1177.7181400	0.02
1179.4826660	0.08
1182.6131590	0.14
1184.5036620	0.20
1185.5809330	0.07
1186.7299800	0.14
1193.1521000	0.11
1194.7648930	0.23
1195.5489500	0.11
1199.5153810	0.02
1201.4487300	0.17
1204.1491700	0.51
1206.0230710	0.14
1211.5969240	0.19
1216.2604980	0.11
1217.0402830	0.33
1220.7954100	0.18
1222.0662840	0.51
1223.8298340	0.06
1226.0546880	0.24
1229.9471440	0.19
1234.5090330	0.18
1235.1580810	0.03
1235.8269040	0.14
1237.1761470	0.14
1237.7839360	0.13
1239.9006350	0.04
1244.3735350	0.51
1247.6127930	0.08
1250.3609620	0.21
1253.2296140	0.24
1255.5279540	0.36
1256.4053960	0.13
1257.8431400	0.18
1258.8520510	0.57
1259.4882810	0.34
1260.6552730	0.40
1261.5908200	0.07
1262.6726070	0.44
1264.2926030	0.25
1265.2528080	0.31
1266.3081050	0.24
1266.9465330	0.14
1268.3977050	0.05
1269.6312260	0.02
1271.4045410	0.19
1272.2487790	0.30
1273.3737790	0.24
1274.1561280	0.02
1275.1394040	0.39
1277.2380370	0.32
1277.9461670	0.40
1280.7922360	0.42
1281.7414550	0.44
1282.5717770	0.24
1285.0643310	0.18
1286.3002930	0.37
1287.0765380	0.04
1288.2368160	0.72
1289.3986820	0.49
1291.9438480	0.51
1293.4135740	0.80
1294.2683110	0.36
1295.2480470	0.61
1296.6416020	1.25
1297.8217770	0.66
1298.7196040	0.45
1300.7402340	0.58
1302.2077640	0.06
1303.1662600	1.11
1304.1274410	1.47
1304.8764650	0.83
1305.9410400	0.65
1307.4960940	0.18
1309.4632570	1.07
1310.3331300	0.90
1311.3387450	1.10
1312.4205320	0.85
1313.4720460	0.31
1314.4705810	1.01
1315.6373290	1.24
1316.4488530	1.04
1317.3447270	1.45
1318.3428960	0.95
1319.3751220	0.32
1319.9899900	0.09
1321.3623050	1.06
1322.6988530	0.90
1323.8325200	0.89
1325.3933110	0.13
1326.4322510	0.57
1327.3869630	2.94
1328.3400880	0.14
1329.3880620	0.17
1330.2448730	0.25
1331.0611570	0.35
1332.0477290	0.80
1333.5616460	0.58
1334.3858640	0.75
1335.9769290	0.93
1337.4694820	1.48
1338.5023190	1.77
1339.7939450	0.76
1341.2292480	0.39
1342.1427000	0.64
1342.8560790	0.84
1343.5957030	2.61
1344.5819090	0.63
1345.8616940	0.81
1346.8288570	1.02
1348.8682860	2.37
1349.6737060	3.16
1350.4722900	0.83
1351.4715580	1.23
1352.2763670	0.57
1353.4321290	1.15
1354.5904540	5.87
1355.3262940	6.45
1356.2330320	0.34
1357.4566650	0.22
1358.2559810	0.08
1359.4168700	0.89
1360.7593990	20.66
1361.6990970	6.67
1362.6882320	0.63
1363.6893310	0.50
1364.6990970	1.20
1365.6313480	0.71
1366.2625730	0.61
1369.7198490	0.26
1370.6019290	0.13
1371.2302250	0.24
1372.1593020	0.23
1374.5599370	1.06
1375.3195800	0.10
1377.4385990	1.29
1378.0819090	1.15
1378.8137210	0.19
1379.4608150	0.66
1380.4410400	1.65
1381.2149660	0.60
1383.2032470	1.23
1384.1585690	1.46
1385.0155030	0.04
1386.1579590	0.65
1386.9515380	3.53
1387.6478270	1.39
1389.3109130	3.27
1390.0792240	1.45
1391.1312260	0.04
1392.4879150	14.41
1393.1645510	11.15
1394.0294190	0.75
1394.7989500	0.46
1395.7886960	0.04
1396.5115970	0.10
1398.4886470	100.00
1399.3227540	33.56
1400.2725830	0.62
1401.0451660	0.56
1402.8094480	0.63
1404.1702880	0.72
1404.9268800	0.32
1405.6628420	0.06
1408.0694580	0.44
1413.4595950	0.47
1414.0799560	0.03
1416.6077880	0.17
1436.6577150	0.06
1438.9586180	0.09
1441.8924560	0.08
1447.9083250	0.09
1461.7010500	0.06
1471.6444090	0.03
1509.1878660	0.05
1521.6311040	0.02
1527.3692630	0.12
1530.7686770	0.15
1537.7604980	0.13
1540.1036380	0.16
1561.7786870	0.04
1563.7928470	0.20
1576.8825680	0.06
1579.6131590	0.15
1585.8369140	0.06
1596.4219970	0.12
1597.4385990	0.22
1611.5108640	0.10
1614.2784420	0.06
1619.4139400	0.08
1636.7047120	0.13
1643.2609860	0.17
1645.0123290	0.07
1648.3916020	0.03
1658.1605220	0.09
1658.8308110	0.14
1665.8114010	0.31
1666.4908450	0.06
1668.2844240	0.17
1674.3532710	0.02
1677.0061040	0.14
1684.1751710	0.07
1695.5716550	0.12
1698.5010990	0.07
1713.7327880	0.10
1720.4187010	0.07
1723.8839110	0.29
1724.6031490	0.14
1739.4952390	0.04
1742.6309810	0.16
1751.0565190	0.03
1754.6174320	0.12
1761.9935300	0.19
1773.3450930	0.11
1774.6735840	0.47
1779.9509280	0.11
1786.5106200	0.26
1796.0422360	0.08
1799.1761470	0.79
1799.9923100	0.07
1802.8885500	0.03
1804.3859860	0.03
1805.0916750	0.02
1806.4561770	0.07
1811.3726810	0.02
1815.0505370	0.20
1818.5651860	0.10
1822.5799560	0.02
1826.5720210	0.14
1827.3878170	0.16
1829.3718260	0.06
1830.0993650	0.26
1831.1999510	0.33
1832.1297610	0.26
1833.0704350	0.15
1834.1312260	0.10
1836.1843260	0.04
1837.8674320	0.27
1839.6013180	0.11
1840.6107180	0.22
1847.7467040	2.89
1849.2536620	0.08
1850.0340580	0.18
1857.5485840	0.06
1858.4885250	0.33
1862.4107670	0.40
1870.0223390	0.08
1872.4908450	0.11
1874.1055910	0.03
1879.3513180	0.06
1880.7199710	0.03
1882.1818850	0.04
1883.0104980	0.20
1887.4530030	0.23
1888.4544680	0.23
1889.3859860	0.02
1891.2419430	0.07
1892.6390380	0.04
1893.9595950	0.24
1896.2945560	0.07
1897.0269780	0.11
1898.4992680	0.08
1899.1296390	0.08
1900.7591550	0.23
1902.7574460	0.20
1903.4816890	0.21
1904.8435060	0.12
1909.1563720	0.08
1911.5106200	0.02
1912.1354980	0.26
1914.6214600	0.03
1916.5617680	0.11
1919.3231200	0.12
1922.8746340	0.03
1925.3386230	0.02
1926.2808840	0.04
1927.2904050	0.04
1928.5657960	0.06
1929.3643800	1.12
1931.5042720	15.19
1932.5284420	0.23
1935.4361570	0.06
1936.9411620	0.16
1941.5635990	3.69
1942.2088620	0.07
1943.6604000	0.07
1944.3360600	0.04
1945.8350830	0.15
1946.7139890	0.15
1947.6218260	0.09
1948.8973390	5.80
1950.0423580	0.18
1953.0448000	0.02
1956.0870360	0.14
1958.5289310	0.05
1959.2974850	0.13
1960.9276120	0.14
1961.6876220	0.10
1963.3223880	0.21
1965.4322510	0.48
1966.6672360	0.20
1967.8889160	0.29
1972.0426030	0.20
1972.9187010	0.41
1973.8840330	0.03
1975.5831300	0.21
1976.7443850	0.16
1980.2374270	0.39
1981.2922360	0.44
1982.3166500	0.06
1983.8786620	0.05
1986.0930180	0.32
1987.2200930	5.48
1989.1646730	0.03
1990.1514890	3.52
1992.3068850	0.13
1994.6466060	0.04
1996.4136960	0.15
1999.4656980	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0966
Annotation	(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Peak:m/z	Relative Intensity
60.08742523	0.03
68.92636108	0.05
86.99421692	0.01
94.84106445	0.02
105.098999	0.02
121.5800018	0.07
132.0188446	0.08
135.0041809	0.04
145.1369324	0.02
149.2826538	0.08
150.9900818	0.12
156.1815643	0.03
159.145752	0.16
160.963501	0.01
163.0435944	0.01
164.1771698	0.09
173.1159515	0.04
177.0786133	0.05
182.0766144	0.06
184.6029205	0.08
187.1077576	0.70
188.0774231	100.00
189.956192	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	729.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
225.2644348	0.04
227.0362854	0.16
231.2762756	0.04
235.3021851	0.12
239.0789185	0.04
241.1224823	0.08
243.2272186	2.78
247.4625702	0.04
257.1684265	0.21
263.1330261	0.59
273.3018188	0.07
285.2737427	0.27
291.1361084	0.03
309.3046875	0.12
313.2733765	0.18
315.3727417	0.18
333.3895264	0.24
351.2199097	0.34
369.3515015	0.13
371.5473633	0.33
372.2041626	0.04
387.4183960	2.91
388.3646851	0.04
393.3146362	0.04
405.3898926	6.72
406.1954346	0.04
415.1793213	0.02
419.4641724	0.26
429.3281860	0.27
447.5581055	0.25
457.4279785	0.08
461.4804688	0.05
483.2542114	0.07
501.6101074	0.05
531.5530396	0.50
549.4777832	25.81
550.3889771	0.14
567.4724731	100.00
568.4358521	0.73
569.3276978	0.03
573.4048462	0.08
581.3311157	0.08
591.7304077	0.24
609.5126343	0.31
617.4392700	0.03
633.4809570	0.09
681.5639038	0.17
683.6918335	0.06
685.1376343	0.06
693.6508179	0.04
711.5941772	14.00
712.5222168	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
114.0837097	0.06
119.0861740	1.07
119.9854813	0.32
124.9847946	0.10
126.1072845	0.09
130.9984436	1.01
135.1459656	1.53
136.0535889	0.35
143.0328369	3.03
144.0433655	0.23
149.0886993	0.53
150.9672852	0.03
153.2910614	0.12
161.0217285	3.08
162.1239319	0.34
179.0485229	29.10
180.1057129	2.76
197.0257721	0.30
205.1099091	0.15
223.1181641	100.00
224.2091217	18.71
241.1763306	1.00
242.2753906	0.20
249.0039978	0.08
262.1999512	0.10
265.1366577	0.04
267.5549622	0.04
299.3283081	0.33
307.1242981	0.09
308.0776367	0.08
315.8377991	0.14
317.1856689	0.08
322.3063049	0.05
324.9425659	0.04
330.3391418	0.13
339.1746826	0.25
340.1531372	0.03
343.3996887	0.10
345.5377197	0.07
357.1394348	0.47
358.0102844	0.14
359.2283020	6.01
360.2680969	1.63
361.0439148	0.10
366.2192688	0.10
384.4208679	0.08
385.3025818	0.57
386.2869263	0.03
386.9057617	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
109.1804199	0.19
111.1714478	0.32
112.9411621	0.90
128.9212646	0.24
151.2071228	0.32
179.0858917	0.45
181.0129395	0.55
202.7790222	0.24
205.8250885	0.19
215.208847	0.89
217.2808075	2.44
218.2239075	0.54
225.2494659	0.91
227.3172302	0.38
231.3304291	0.58
232.1018677	0.26
233.1428223	0.37
241.1352692	0.54
243.1385956	100.00
243.7597656	0.32
245.3253784	1.72
246.1748505	0.23
260.8494263	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	505.04
Annotation	Unknow
Peak:m/z	Relative Intensity
182.2102509	2.08
309.3171997	0.37
310.2940063	3.41
311.4970703	1.04
337.4215393	0.77
340.0026550	0.75
354.3873291	1.37
371.0692444	0.45
374.9882202	3.23
376.1440430	100.00
386.9933777	1.97
388.3754578	2.24
459.5860596	0.96
485.1222839	1.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.96
Annotation	Fluazinam
Peak:m/z	Relative Intensity
191.1125183	0.46
233.9748993	0.34
251.0640564	3.27
252.4122620	1.59
253.1252747	6.98
263.2909241	0.19
292.8400574	0.25
296.9020386	1.24
380.8366394	100.00
419.2221375	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.2594
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
92.92433167	1.61
113.134201	1.68
157.9519348	1.30
161.2967529	0.69
169.0448303	0.95
181.3755951	0.90
185.0034485	1.62
195.2710266	0.55
197.4490356	1.52
199.0904541	1.89
211.4953613	0.70
221.2123718	1.93
225.0446777	6.16
227.1228943	4.73
231.0120544	2.32
235.3693237	1.51
237.1992798	8.59
239.3489685	1.96
241.2629395	1.11
242.9240417	1.25
253.4562683	43.96
254.3422241	0.69
255.2652283	21.29
261.8460083	1.66
263.1901855	6.35
263.9718018	4.10
270.8532715	1.81
279.319458	4.67
281.250885	100.00
281.9636841	0.60
283.2894897	9.93
284.2073669	0.90
299.3723145	3.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	727.3383
Annotation	Gypsophilinoside
Peak:m/z	Relative Intensity
221.2845154	0.13
223.0406494	0.08
223.6540680	0.04
225.3451843	0.04
235.1514587	0.21
241.2095337	1.64
242.3779755	0.30
255.3278809	0.23
263.2301331	0.37
265.2801208	0.09
266.1849670	0.06
283.2338562	0.19
287.4070740	0.02
288.0957947	0.03
305.1104736	0.04
307.4338989	0.05
308.2493286	0.03
311.1574402	0.22
313.5163269	0.03
329.2889404	0.05
331.3358765	0.24
349.3548889	0.40
350.3489380	0.15
359.4804688	0.04
360.4601440	0.10
367.4202881	0.33
369.4019775	0.29
370.4664917	0.06
373.1305542	0.05
385.3894043	2.41
386.5859985	0.07
403.3526611	4.50
404.3258667	1.41
409.5776367	0.12
418.5092773	0.02
427.4151001	0.20
445.3576050	0.16
475.1041870	0.03
517.3364258	0.04
521.4271240	0.18
529.4917603	0.69
530.5321045	0.17
547.4458008	23.87
548.4692383	6.59
565.4219360	100.00
566.4613037	22.44
567.4877319	0.25
579.2609253	0.09
579.9140015	0.10
583.7837524	0.08
589.5031738	0.59
590.6495972	0.15
603.5073853	0.03
605.6483765	0.03
607.3389282	0.16
620.3507080	0.04
624.3165894	0.05
635.6542358	0.02
643.6424561	0.06
653.5487671	0.13
662.5548096	0.14
670.4257202	0.05
673.5086060	0.09
683.4470825	0.04
684.2915649	0.14
691.5525513	0.29
709.4621582	15.04
710.4920044	3.11
713.5018311	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	151.04
Annotation	Unknow
Peak:m/z	Relative Intensity
89.1064758	0.01
109.8839417	100.00
127.8876038	7.07
130.3080444	2.05
133.1368866	0.01
139.2215424	2.28
139.8562164	0.09
145.8918610	0.01
150.7499847	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	520.3389
Annotation	PC(18:2(2E,4E)/0:0)
Peak:m/z	Relative Intensity
184.0824890	21.93
239.9877930	0.17
258.3325806	0.30
259.1597900	0.18
279.3074341	0.10
313.2658081	0.12
337.2798462	0.09
350.5521240	0.06
371.4249268	0.23
411.0183716	0.32
432.3513184	0.30
443.3997192	0.06
471.1716309	0.11
502.4918213	100.00
503.3279419	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	540.14
Annotation	Unknow
Peak:m/z	Relative Intensity
162.3055115	0.18
170.1441956	0.06
178.9385529	1.55
181.2875671	0.53
182.0614319	0.12
187.1253510	0.35
215.0646667	0.96
216.1261597	0.20
216.9305420	0.17
231.2669067	0.30
232.0534363	0.13
233.0410156	3.48
245.1092987	0.08
251.2537537	0.20
256.3477173	0.18
264.9800110	0.11
271.0101929	0.15
272.2767639	0.27
283.8815613	0.31
290.4420776	0.39
291.2136841	0.54
299.2096863	0.15
306.1033325	0.17
308.2070923	10.58
316.1980591	0.16
318.1117554	2.30
319.0748291	1.98
333.9628906	1.28
335.2495117	2.76
336.1106567	27.48
336.7297974	0.16
341.2892456	0.39
344.2191162	1.11
346.0751953	0.07
347.1826782	0.06
348.4508667	0.55
359.0062866	0.13
362.3047485	0.77
375.2677002	0.48
378.2759399	0.12
390.5151978	0.48
393.1560669	3.47
394.0751343	0.27
402.1677246	0.57
408.9573364	0.86
411.1705322	100.00
413.1701660	0.12
420.4429932	0.25
429.1784668	0.24
437.0669556	0.17
447.3026733	0.92
459.4556885	0.18
465.2410278	14.19
477.0568848	0.70
504.2680054	0.95
522.2886353	8.04
523.4560547	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.1765
Annotation	Phenethyl rutinoside
Peak:m/z	Relative Intensity
125.2044678	0.05
130.9995270	1.83
135.1806030	0.61
143.1137695	7.24
144.0808716	0.46
149.0715027	1.10
156.2164917	0.12
159.5094757	0.18
161.1780548	19.37
162.1829224	1.17
171.1129456	0.05
175.0260925	0.07
179.0043640	25.41
180.0214539	0.57
185.0028687	0.14
187.1511230	3.25
188.2238159	0.45
203.3461914	0.16
205.1607666	51.36
206.1483459	6.14
207.3302002	0.22
208.2681732	0.14
216.8441925	0.05
219.1569214	0.13
223.3114929	0.27
224.2678528	0.39
229.0980225	0.34
231.0886688	0.96
231.9922943	0.12
233.1805115	0.14
247.2153625	0.04
249.1235046	100.00
250.1889038	5.89
251.2751160	0.23
253.2613831	0.15
267.2359314	1.28
268.1813965	0.11
269.1524048	0.18
272.6282959	0.13
278.3353577	0.26
280.3010864	0.14
283.2414856	0.06
285.1897888	0.07
286.1918945	0.05
288.6560669	0.14
289.3866577	0.08
297.3154907	0.21
298.1388855	0.05
299.2693176	0.07
301.0505676	0.06
308.2463074	0.07
313.3025208	0.05
314.4251709	0.03
315.3090820	0.11
320.3923340	0.06
326.3657532	0.24
333.2511597	0.07
338.5117798	0.07
341.5856934	0.13
343.2332764	0.06
346.1350098	0.12
349.3659058	0.07
351.1010742	0.18
352.1386414	0.08
357.1353149	0.04
369.4211121	0.35
370.4566040	0.08
371.4645386	0.09
372.3357239	0.13
383.1267395	0.34
385.2040405	24.61
386.1965637	2.96
392.1189270	0.78
393.2619324	0.13
394.0964355	0.47
402.2989807	0.13
406.6738281	0.12
407.4134827	0.15
411.4294739	3.97
412.4234619	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	945.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
279.4330444	0.35
293.3479614	0.07
297.3603821	1.41
298.3455200	0.11
333.4483643	0.12
339.0804443	0.34
361.4154663	0.02
364.6246948	0.03
405.4213257	0.31
406.5382690	0.04
411.5939331	0.09
419.5771484	0.06
441.2726440	0.12
459.6614380	0.17
465.6097412	0.08
467.4226685	0.05
468.4701538	0.04
495.5569458	0.10
501.4189453	0.74
502.6823120	0.21
529.5273438	0.08
543.7809448	0.10
568.4830933	0.03
585.3300781	0.64
586.5050049	0.62
587.7971191	0.16
588.4053345	0.03
601.3234863	0.07
603.5162964	3.86
604.5911865	1.98
621.4102783	6.22
622.5302124	2.13
627.3782959	0.03
635.3234863	0.05
636.0856323	0.08
645.4855347	0.44
646.5950928	0.16
663.6161499	0.24
664.5780029	0.29
696.9721069	0.05
735.8427124	0.10
747.6405640	0.86
748.4502563	0.25
765.5276489	32.90
766.5774536	10.27
781.8248291	0.10
783.5572510	100.00
784.5653687	32.30
785.1788940	0.15
807.7617798	0.15
808.7244873	0.09
825.6631470	0.54
826.6946411	0.25
838.9399414	0.06
866.7905273	0.06
880.7642212	0.06
891.5519409	0.22
909.8212891	0.27
927.5364380	9.83
928.6509399	5.10
929.6809692	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	269.21
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
65.08696747	0.24
76.87846375	0.74
81.0324707	1.19
84.92655182	0.97
91.13751221	0.93
94.93457031	5.21
99.06391907	0.31
104.8445282	0.35
108.9611511	2.69
111.0578308	1.94
112.3878784	0.18
113.0665436	0.26
116.9943542	0.45
121.1086731	1.64
123.0395355	3.37
125.0615082	2.11
126.9810638	0.42
129.2583771	2.18
130.8740997	0.64
132.9680786	0.87
135.0862274	2.99
136.9298859	1.01
139.0634766	3.18
141.1631775	2.81
143.0636597	0.65
145.1469879	0.20
147.0201416	1.05
148.891922	1.04
150.9422455	0.78
152.796402	1.52
155.0663605	2.19
159.083725	1.36
161.2877045	0.62
163.2081757	2.77
165.1444855	1.24
166.9794617	0.88
169.0886688	3.18
171.0583344	0.26
173.1973114	4.33
175.1068573	1.47
177.0363312	0.79
179.3874054	0.49
181.1670685	1.30
183.0867462	0.79
185.1123199	1.95
189.2303619	0.52
190.1557159	1.05
191.2579346	5.53
193.1536865	1.34
195.1408691	5.98
195.9585419	0.35
197.0426788	2.69
199.1893463	1.35
201.2578888	2.46
205.1153107	5.65
209.0805817	10.22
210.2837982	0.37
211.1786346	3.26
213.2065277	2.62
215.0824432	0.74
219.1912384	1.33
223.178772	3.46
225.1464386	4.21
227.1047516	3.21
227.7592926	0.50
233.2298126	8.03
236.9209595	0.41
239.0310516	0.84
241.4629517	0.56
251.190567	100.00
252.2505493	0.84
253.0437469	0.62
259.6022339	0.49
268.5649719	1.57
269.2271729	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	520.3386
Annotation	PC(18:2(2E,4E)/0:0)
Peak:m/z	Relative Intensity
134.2632141	0.06
165.9120178	0.35
184.0060120	100.00
197.1788330	0.10
239.2520447	0.47
255.0926514	0.06
258.2354431	0.49
270.5314941	0.12
308.2749634	0.16
337.5603638	0.09
371.2204590	0.12
383.4619141	0.06
394.9309082	0.16
457.4261475	0.10
462.3639526	0.12
471.4420776	0.04
502.4818115	84.40
503.3470459	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
202.0144653	0.13
219.1076813	0.24
221.2447510	0.21
245.1976624	0.22
246.7210388	0.20
314.9719849	0.69
323.0962524	0.28
330.5036011	0.26
331.4901733	0.23
344.3383179	0.26
359.0476685	0.13
366.8081665	0.95
403.7573242	0.56
411.4732666	55.86
412.6459961	0.96
415.1809082	0.67
416.7702026	0.61
468.5524292	0.60
478.4440308	1.42
479.5313721	0.55
480.9143066	1.20
510.3173218	0.40
512.7809448	1.49
522.4619751	0.78
536.3280640	0.64
550.5704956	4.56
559.8473511	10.53
560.8607788	0.23
568.0319824	0.21
577.5292969	3.75
587.5306396	0.23
592.3943481	2.54
601.3187256	0.14
603.1756592	29.55
604.1568604	4.11
605.1644897	1.07
606.3665771	0.58
608.6687622	0.29
610.3551025	0.33
611.7385864	0.68
615.6085205	0.38
625.9938354	0.40
659.7599487	0.39
666.8582764	0.21
674.3197632	8.72
674.9454956	2.08
675.6306763	0.41
679.1765137	0.58
706.4838257	0.36
708.7145386	0.27
709.7086792	0.22
720.9214478	0.88
722.9978638	2.29
723.6949463	1.04
724.5696411	1.02
725.5554199	1.13
729.7069092	2.39
732.4453735	3.33
733.7846069	0.39
754.7002563	2.76
760.4708862	20.26
761.3652954	5.88
764.0200195	0.36
766.2084351	1.77
767.5199585	0.47
782.7162476	55.15
783.8488770	4.81
800.5360718	0.14
803.8177490	6.01
805.2125854	1.08
809.5151978	0.52
821.6243286	16.65
822.6152954	7.40
823.6249390	0.61
825.1543579	1.06
828.6847534	0.67
832.0856323	0.62
835.5570679	1.14
837.0159302	0.42
839.3566284	100.00
840.1693726	18.84
841.3973999	1.17
842.5748291	0.81
847.9801636	0.65
852.4736328	0.58
884.7648315	0.30
905.4636841	1.14
943.6804810	0.23
944.7573242	0.90
949.6349487	0.89
954.7371216	1.43
961.1572876	2.87
962.0288086	0.59
1010.6416020	0.18
1011.7706910	0.63
1019.3745120	0.34
1020.3103640	0.13
1031.4447020	1.94
1059.1881100	0.19
1077.6567380	0.62
1084.0422360	0.69
1084.8847660	1.18
1085.7485350	1.93
1093.0412600	0.47
1120.3986820	0.11
1127.4085690	0.60
1141.1126710	4.96
1141.9473880	1.02
1173.7901610	0.54
1174.8702390	0.97
1182.9255370	0.67
1190.8762210	0.48
1216.4611820	0.15
1282.9803470	0.52
1301.5258790	0.21
1425.5946040	0.15
1433.4871830	0.69
1452.5944820	0.37
1577.8458250	0.15
1593.8389890	0.10
1649.0306400	0.10
1665.2288820	0.19
1677.1199950	0.20
1678.2777100	0.39
1725.6031490	0.14
1776.9918210	0.66
1782.7886960	0.15
1801.2180180	0.27
1810.1794430	0.14
1822.6768800	0.72
1824.3385010	1.13
1829.0928960	0.27
1835.0277100	2.25
1839.2005620	0.09
1845.4420170	0.25
1846.6755370	0.18
1862.8316650	0.66
1870.4886470	0.73
1872.6135250	0.11
1875.9364010	7.75
1881.8562010	0.14
1887.2497560	3.29
1888.2061770	3.03
1891.8765870	2.59
1895.3649900	1.94
1902.3443600	0.52
1905.5535890	0.30
1908.3060300	0.72
1911.3878170	0.28
1912.1278080	1.35
1913.4509280	0.24
1914.3773190	1.09
1915.4522710	0.44
1916.4376220	0.72
1917.2591550	0.31
1920.2755130	2.66
1924.2652590	1.70
1926.9426270	4.38
1927.6778560	0.14
1928.6514890	0.44
1929.4776610	0.28
1930.6712650	0.23
1932.6125490	0.25
1935.6898190	0.35
1936.8311770	0.27
1937.5970460	0.31
1938.3236080	0.24
1946.9698490	0.88
1948.2889400	0.33
1949.8358150	0.80
1950.5928960	2.66
1951.4475100	0.96
1952.7141110	3.88
1954.1456300	0.60
1955.6668700	0.13
1957.1813960	0.29
1961.0994870	0.11
1962.2434080	1.23
1963.0096440	1.26
1963.9971920	9.02
1966.1862790	0.10
1970.7005620	1.06
1972.8830570	1.25
1975.5803220	1.03
1976.7556150	5.93
1978.3995360	0.16
1979.2618410	0.90
1981.0318600	4.59
1982.2281490	0.41
1985.0179440	10.64
1986.2198490	0.10
1987.0787350	1.43
1987.7141110	0.49
1990.0799560	0.31
1990.7095950	0.44
1992.2791750	0.65
1992.8956300	2.29
1995.1984860	3.50
1997.2923580	7.23
1998.0538330	0.10
1999.3724370	12.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
80.92520905	2.80
85.00224304	4.53
88.95827484	5.16
93.15479279	1.54
96.93322754	2.80
101.0637817	2.69
106.8765259	4.71
108.9464951	4.33
111.1921082	1.53
122.9206238	3.67
124.9112091	2.52
133.0823059	13.99
135.0939636	8.48
138.8348999	2.76
149.2249756	2.57
150.9761658	12.22
155.2794495	1.41
156.8724976	3.77
163.2982788	1.30
165.1537476	6.12
177.1918793	20.81
191.1532288	1.88
195.2536316	7.32
196.2079773	1.53
197.4863892	4.86
198.7876587	2.45
203.0076904	6.68
205.2388611	2.57
208.8951416	2.11
210.9551392	0.83
213.1725464	6.32
221.0999756	2.11
223.3942566	3.69
225.2384033	10.56
227.1074829	1.03
236.9591064	1.76
239.1896973	12.83
241.2731934	5.08
241.925415	1.08
245.4480591	9.05
247.2346802	26.85
249.2814331	5.30
251.2666321	4.86
255.0284424	2.34
259.6447449	4.40
265.2468262	100.00
266.3704224	5.78
268.2962646	3.19
269.0627136	2.69
285.135437	4.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	756.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
214.9850311	0.12
216.1539612	0.25
231.1502533	0.17
234.1345062	0.63
234.8291321	0.90
239.0382080	0.08
241.3102722	0.08
246.2793579	0.25
247.2593842	0.06
249.1403046	0.08
251.2695923	0.23
252.1871338	1.53
253.1856689	2.72
257.8800049	0.88
259.1427002	0.24
261.1422729	0.48
262.7334595	0.08
269.6470032	0.56
270.9178772	0.16
273.1656494	0.38
275.1116943	0.19
276.1454163	3.78
277.1015930	7.21
288.4623108	0.49
289.1768188	0.87
291.1961060	0.16
294.0091858	0.12
297.2543335	0.13
300.1294250	0.58
301.1343689	1.45
301.9130249	0.15
305.0032043	0.78
306.1396484	0.50
307.1214600	5.70
312.1420593	3.77
313.1889954	6.71
314.2094116	0.18
317.9531250	0.51
319.0160217	0.46
321.2252808	0.19
324.8268433	1.25
325.9342041	0.55
327.2297974	0.09
328.3068848	0.18
329.9876099	1.45
331.1179810	1.43
332.1242981	0.12
333.0765991	2.02
334.8471680	0.09
336.4382935	4.63
337.2435303	1.91
338.0969849	1.13
338.8831787	0.72
341.3461914	0.12
342.3328247	2.22
343.1026001	4.42
347.3552856	0.83
348.3878174	0.69
349.2723389	3.98
349.9987183	0.54
353.9620972	0.84
355.2155762	1.12
359.0545654	1.06
359.9348755	2.37
361.1198120	9.79
362.1413879	0.30
365.9540405	0.68
367.1827393	1.44
369.9423218	0.43
371.0754395	0.67
372.1232910	5.60
373.0043945	0.18
375.0563965	0.33
378.3421631	4.33
379.1768188	9.80
381.5503540	0.21
386.1837158	0.79
388.1954346	1.21
389.1250000	2.69
390.3275757	2.56
391.2241821	0.96
395.1693115	0.50
396.1182251	2.39
397.2978516	3.87
402.4186401	0.19
408.1735229	9.98
409.1502686	12.70
414.1795654	2.77
415.3056641	13.63
417.3225708	0.35
418.2534180	0.26
420.9578247	2.66
425.2828369	0.21
426.1674194	0.37
427.2691650	0.14
428.8844604	0.45
432.2004395	21.56
433.1709595	4.82
436.2742920	0.89
437.2589722	1.47
438.2374878	1.18
439.0158081	1.17
440.0569458	0.08
444.2888184	0.18
450.2561646	0.59
451.1096191	0.63
453.3840942	0.25
456.9701538	0.20
459.4505615	0.52
462.3150024	0.72
463.1732788	0.31
468.1846924	3.50
469.1190186	3.27
473.0112915	0.13
474.2558594	0.43
475.2122803	0.56
480.6380615	0.35
481.2647705	0.61
486.8411865	1.45
492.5511475	0.69
493.4297485	1.05
495.3721924	0.74
498.0673218	12.09
499.1809692	36.00
500.0169067	0.39
504.7066650	1.58
505.3873901	0.35
513.3760986	1.90
514.2521973	0.75
516.1978149	0.83
517.0101318	0.10
519.7614746	0.53
521.7041016	0.38
523.0561523	1.08
523.8690186	0.39
530.3274536	0.18
534.2092896	1.68
535.2163696	5.41
538.3635254	0.88
540.1325073	2.67
541.1351929	8.33
546.8939209	0.46
549.1386719	0.16
550.7263794	0.30
558.2399902	4.66
559.3814087	4.54
561.5499878	0.40
563.9484863	0.38
567.5220337	1.12
568.1823120	0.57
576.2620239	8.14
577.3756104	35.99
580.7117310	0.22
594.1285400	100.00
595.3136597	93.28
596.3572388	0.10
597.5168457	0.10
628.1576538	0.77
636.5059204	0.47
648.0625000	0.59
651.5560913	0.27
657.6267700	0.26
666.5642090	0.60
667.5674438	0.55
675.0811157	1.17
675.7758179	0.75
679.4113770	0.31
712.2145386	0.24
724.2691040	0.40
727.1384888	0.34
738.3480835	9.17
739.4613647	28.08
755.6796265	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.02
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
67.0381393	0.02
84.9490585	0.44
86.9688415	0.97
103.0923309	0.05
110.9916534	100.00
111.8179932	0.06
129.0521851	2.61
130.8007355	0.99
146.9922943	0.22
155.0416107	0.43
172.9732361	23.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0104370	0.02
132.9984283	0.04
134.0393524	0.97
134.9964294	0.46
136.1080322	0.05
145.0948181	0.02
148.9426270	0.15
149.9720764	0.02
155.4247131	0.01
156.9360352	0.16
160.1201477	0.11
161.0726929	0.39
162.2726135	0.03
171.2935638	0.13
172.1810608	0.04
175.1056824	0.77
176.2479858	0.10
178.0108948	0.02
179.0483093	0.15
187.2010803	0.04
193.1209564	6.12
194.1076355	1.56
203.1838074	0.02
205.3206329	0.33
206.2082367	0.04
206.9495392	0.10
214.1485748	0.03
217.2719879	0.02
231.2238159	0.18
235.1024780	0.03
237.5078125	0.02
249.0979004	11.76
250.2311401	2.79
253.1530457	4.52
254.2015991	1.27
259.1392517	0.02
261.0396423	0.04
267.1531982	100.00
268.1067505	15.60
280.1266479	0.07
281.1585388	0.38
282.1554260	0.02
293.0557556	0.11
295.1449280	0.07
309.0693970	0.02
323.1116028	0.12
324.2960205	0.07
328.2375183	0.02
335.2085571	0.26
336.0977173	0.24
337.7090759	0.06
340.1755066	0.05
349.4085388	0.02
367.0003967	0.13
368.3151550	0.08
381.2756653	1.11
382.2146606	0.32
383.2934265	0.58
384.2190552	0.36
393.3196106	0.06
399.2778625	0.70
400.2420654	0.52
401.2958069	0.04
406.1254578	0.03
407.0356445	0.02
408.0961914	0.06
409.5428467	0.04
411.2181702	13.90
412.2243347	3.47
415.1333923	0.02
421.2990417	0.04
425.2552490	13.42
426.3086853	5.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	592.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
195.3058319	0.18
205.0581055	0.16
212.6766663	0.11
223.2445526	0.37
263.1547241	0.17
273.1720276	0.10
274.1920776	0.11
293.3063965	0.14
295.2755432	0.58
304.5015259	0.39
305.2560425	0.23
306.8838501	0.17
312.4591064	1.06
313.3520508	1.82
314.3679199	0.35
320.4670410	0.70
322.2725220	0.18
323.1049805	0.24
328.2990723	0.10
330.4115601	9.91
331.4306030	4.95
332.2973633	0.34
336.4127808	0.16
338.5086060	1.64
339.3233643	0.37
341.4801636	0.22
354.3204956	0.51
355.3296509	0.38
356.5606079	0.41
361.5930176	0.26
377.4294434	0.08
401.5156250	0.12
445.5079956	0.49
447.3093872	0.31
460.5864258	0.21
467.7270508	0.15
473.5574951	0.06
474.7193604	0.20
479.3107300	0.18
489.4440308	0.11
493.7124634	0.09
495.7534790	0.42
501.0576782	0.10
505.3203125	0.44
511.8196411	0.10
519.2907104	0.41
525.4547119	0.11
526.5106812	0.45
531.7164917	0.22
533.7388916	1.05
535.6094971	0.19
549.2416382	0.30
557.0219116	0.15
558.5480347	1.09
565.1980591	1.06
574.7171021	100.00
575.6925049	53.37
576.7017212	3.68
577.7059326	0.70
592.5607300	7.13
593.5291138	7.10
594.2591553	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	844.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
236.1486664	0.22
247.0966797	0.39
261.0751343	0.48
281.2110901	0.25
306.3098145	0.49
324.1995850	0.28
349.4574585	0.58
350.1698608	0.34
367.0931396	0.27
368.2061462	0.12
370.6140137	0.56
373.5554199	1.75
377.3917236	1.28
378.0995789	0.71
448.2349854	3.70
449.4266968	1.03
462.1282959	0.82
488.3084106	0.14
545.9863892	0.38
561.2435913	0.80
563.3813477	22.32
564.4069824	2.75
565.3428345	0.29
580.4285278	0.59
581.4256592	0.26
585.4547119	0.33
660.1672974	1.32
660.7743530	0.37
661.5934448	0.21
751.3605957	2.47
773.5139160	0.40
774.3192749	1.12
776.4962158	0.87
778.5004272	0.35
783.5383301	1.24
786.1091919	0.30
793.9310913	1.96
797.3148193	4.47
797.9813843	0.72
803.7499390	1.33
806.6629028	1.87
807.5007324	1.68
810.8132935	2.19
812.7993774	5.72
813.6298218	4.76
814.6287231	2.87
815.2599487	0.51
815.9389648	17.11
816.5700684	0.89
817.6437378	3.43
818.3690186	7.99
820.0071411	1.84
821.6518555	2.79
822.3196411	1.20
823.5910034	0.74
825.2880249	2.27
828.6186523	2.65
829.3064575	2.76
830.1873169	1.61
831.1239624	2.04
832.5991821	5.94
833.9457397	1.02
836.0755615	2.48
851.3308105	0.26
859.6378784	0.93
865.4839478	0.15
874.9995728	0.43
877.9446411	1.52
878.9389648	3.50
879.7695923	1.70
881.4280396	3.20
886.2771606	13.63
887.0195312	2.77
890.7687378	1.45
891.3948364	1.24
894.2720337	0.44
897.4332886	1.56
899.8064575	6.26
901.7119751	0.64
902.6904907	0.85
903.7843628	3.10
904.6696167	3.08
906.3771973	9.27
907.0441284	0.28
908.7289429	2.67
909.7414551	2.05
910.7567749	10.34
911.4826050	15.59
915.2888794	100.00
916.2073364	3.87
917.4208374	1.34
919.1648560	1.31
920.2263184	0.71
921.0351562	0.86
921.8992310	1.83
928.2151489	0.78
930.9890747	2.64
939.1355591	3.12
939.9714966	0.18
941.0364380	0.56
943.6115112	3.10
944.4612427	2.11
946.8825684	6.04
947.6294556	4.24
948.8132324	0.76
950.2113647	2.06
950.9530640	1.79
952.3816528	0.60
953.4696655	1.24
954.2736206	0.29
954.9858398	2.17
955.6543579	1.27
957.0281372	2.80
957.8140259	5.60
961.5175171	20.26
962.3995972	2.39
963.4324341	2.21
964.2349243	0.57
965.5587769	0.12
967.0098267	2.03
967.7943726	0.41
968.7136841	1.92
969.6301270	0.10
973.1303101	0.93
974.3883667	0.22
975.1655884	2.50
976.7570801	2.01
977.5275269	1.80
978.3818359	0.55
980.5462036	0.96
981.4699097	4.64
982.3334351	2.98
983.5811157	2.11
984.4254761	1.09
985.9022827	1.79
986.6145020	2.90
987.4763794	0.31
989.5158081	7.26
992.0559692	2.72
994.6587524	6.24
995.8779907	5.07
996.7088013	4.38
997.5856323	2.62
999.0344238	2.13
1000.2537230	4.79
1001.6552120	1.40
1004.8080440	1.84
1006.0200810	0.57
1006.8313600	1.50
1008.3820190	0.98
1010.5040890	1.69
1011.1289060	1.23
1012.2609860	4.73
1015.1679080	3.48
1015.8817750	1.53
1017.4811400	3.21
1018.7664180	7.26
1019.7810060	11.04
1020.6743770	2.89
1022.2725220	11.22
1022.9125370	9.48
1023.6780400	1.14
1024.7111820	2.62
1026.4697270	16.91
1027.1591800	33.33
1028.9128420	0.57
1030.7049560	0.15
1031.5413820	1.02
1034.8939210	1.62
1038.0627440	1.29
1051.0593260	0.83
1056.7275390	3.78
1060.4155270	0.97
1063.0161130	0.42
1064.8249510	0.24
1069.5394290	0.59
1078.9017330	0.80
1083.3514400	0.44
1088.4980470	2.89
1089.3596190	1.12
1094.3251950	1.74
1095.2395020	0.80
1096.1872560	0.91
1099.8566890	1.14
1101.6049800	1.02
1102.3269040	1.20
1103.6628420	0.53
1104.7156980	1.36
1105.9116210	4.36
1111.0227050	4.60
1111.6832280	0.37
1115.5423580	0.53
1116.5487060	0.14
1118.7561040	0.60
1119.6611330	0.17
1127.0900880	1.43
1127.8374020	0.52
1129.0762940	0.36
1132.7918700	2.17
1134.1827390	1.01
1138.4233400	2.03
1139.0791020	0.71
1141.3714600	0.30
1143.8725590	11.39
1144.9145510	2.90
1149.5395510	6.71
1150.2265620	5.07
1152.4204100	3.01
1153.7011720	0.37
1157.7993160	2.23
1159.8577880	0.36
1165.1928710	1.90
1168.8469240	0.86
1170.6925050	1.02
1171.6777340	1.92
1174.6899410	1.26
1175.5930180	2.33
1176.3579100	1.43
1180.9146730	4.31
1182.6643070	0.41
1184.8840330	0.11
1192.1627200	1.84
1193.5319820	2.20
1204.1574710	2.51
1208.1083980	0.36
1209.0682370	0.65
1213.8608400	1.03
1219.4470210	3.66
1220.1704100	2.58
1221.0184330	2.28
1225.7117920	0.36
1229.2988280	0.51
1247.6510010	0.12
1267.5278320	0.33
1282.4906010	1.53
1296.5693360	0.40
1306.1165770	0.60
1307.1807860	2.55
1309.7894290	0.28
1319.0166020	0.68
1333.7482910	0.71
1401.5201420	0.76
1412.1768800	0.51
1463.1207280	0.75
1466.2153320	0.33
1500.8957520	0.31
1528.6564940	0.71
1553.8369140	0.49
1568.7279050	0.86
1578.7496340	0.17
1593.9586180	0.86
1599.2531740	0.36
1608.0430910	0.50
1611.0626220	0.39
1616.6732180	0.28
1637.5670170	0.29
1649.6707760	0.14
1650.3431400	0.83
1652.6486820	0.13
1657.8375240	0.48
1661.2559810	0.11
1716.9967040	0.11
1722.8127440	0.14
1740.1945800	2.06
1748.0174560	0.62
1751.0418700	0.19
1754.7203370	0.20
1762.7528080	0.35
1791.3968510	0.64
1792.3792720	0.38
1795.5021970	0.43
1810.7144780	0.20
1811.6223140	0.12
1818.8421630	0.45
1824.2224120	0.42
1826.7071530	0.94
1832.0164790	0.31
1838.7403560	0.14
1839.7385250	0.27
1845.4537350	0.16
1850.8131100	0.14
1852.0920410	0.21
1854.2946780	1.31
1860.9305420	0.49
1863.7243650	0.16
1866.2955320	0.77
1867.6447750	0.19
1868.6619870	0.92
1875.1683350	0.16
1879.2443850	0.23
1880.3923340	0.15
1881.1243900	0.37
1882.0848390	0.16
1885.6270750	0.90
1888.0882570	0.09
1889.1156010	4.13
1892.2282710	0.59
1893.5291750	1.07
1897.7380370	1.89
1902.1116940	0.10
1902.8181150	3.04
1903.8214110	1.31
1905.7810060	0.20
1908.1693120	0.73
1909.0894780	0.68
1912.3853760	0.58
1913.0767820	2.82
1914.7150880	0.26
1915.4881590	0.19
1917.2596440	0.15
1919.8835450	0.20
1920.8537600	3.76
1921.7896730	0.22
1923.6179200	0.57
1924.7437740	0.35
1928.0931400	2.66
1928.9281010	0.22
1930.3377690	0.68
1932.0179440	0.26
1933.8392330	0.21
1934.7010500	0.12
1935.5871580	0.12
1936.3089600	2.23
1938.2120360	4.11
1939.9322510	0.59
1943.1239010	4.86
1945.1009520	3.10
1950.7513430	0.75
1951.9576420	1.22
1953.3797610	0.23
1954.0477290	3.24
1954.8033450	6.49
1957.0281980	2.79
1957.8402100	0.15
1960.4967040	0.66
1961.9816890	0.55
1962.7062990	0.76
1965.6369630	1.13
1967.2017820	11.53
1970.8459470	0.18
1973.2574460	1.88
1974.5047610	0.42
1975.2761230	3.14
1975.9486080	1.71
1976.7829590	1.44
1978.6090090	0.25
1980.4241940	0.62
1982.9564210	53.10
1986.1975100	11.86
1988.4743650	2.43
1989.2731930	0.39
1990.5437010	0.16
1992.1585690	0.71
1993.0977780	0.21
1994.4403080	1.35
1995.0836180	0.85
1996.4442140	4.33
1997.6101070	0.47
1998.4261470	1.90
1999.3206790	1.48
1999.9934080	1.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	638.68
Annotation	Unknow
Peak:m/z	Relative Intensity
259.3179626	0.17
282.1312866	0.31
290.0552979	0.06
308.8415527	1.37
342.1688232	0.29
380.4577026	0.08
384.4578857	0.08
386.7731323	1.66
463.8662720	3.37
464.7131348	1.32
467.1354980	0.07
470.6788940	30.49
483.0144043	14.14
484.0698853	0.27
540.5363159	0.04
548.8283081	0.07
552.0821533	2.68
553.0307007	0.79
554.0194092	14.48
554.6327515	100.00
555.3777466	0.77
562.8843384	0.04
592.1146240	0.25
594.2105103	0.22
596.3184204	0.34
603.9285278	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	802.9447
Annotation	Unknow
Peak:m/z	Relative Intensity
254.1130066	0.08
280.9448242	0.37
282.1628418	0.45
323.3352051	0.12
326.1377869	0.85
498.5501099	0.06
534.5959473	0.12
552.3994751	0.08
566.6791992	0.10
604.7019043	0.46
623.2612915	0.85
624.4773560	0.14
640.6156616	0.05
652.3614502	0.40
657.2914429	0.08
680.0726929	1.72
685.5808105	0.08
701.4331665	0.26
704.8934326	0.06
717.9354858	0.85
719.5429077	0.12
722.0825806	26.34
722.9126587	0.50
723.7288208	0.29
724.9207764	0.14
727.0504761	0.09
728.2157593	0.11
750.3720703	48.30
751.5086670	0.91
752.5580444	0.19
753.9845581	0.23
754.6875000	0.12
755.5918579	0.22
756.6344604	0.20
757.4933472	0.14
761.1317139	1.00
766.9961548	0.11
774.8602905	0.74
780.3743896	0.19
781.2368774	0.59
784.5928345	0.18
785.2595215	0.06
814.6799927	0.12
818.3888550	0.26
853.6370239	2.03
854.3710327	1.14
862.6552124	0.45
878.7986450	0.20
883.2728882	0.14
883.9015503	0.10
886.8552246	4.92
896.3206177	0.12
919.4526367	0.26
921.1248169	0.17
930.0831909	1.23
932.4779663	2.40
933.1923218	1.50
934.0043945	0.39
943.7374878	0.06
951.7160645	0.09
956.6077271	1.21
960.5953979	0.09
962.5120239	100.00
964.2399902	0.61
965.0033569	0.06
968.3036499	0.34
969.1369019	0.05
970.8617554	0.35
994.4792480	0.91
1000.0396120	40.97
1001.3604130	1.61
1002.0703740	0.28
1002.8292850	0.70
1003.7236940	0.48
1012.9804080	0.07
1018.4240720	0.10
1019.9773560	0.38
1033.0246580	1.17
1041.0316160	0.54
1049.3831790	0.05
1052.6523440	0.08
1096.5678710	0.14
1112.0942380	0.15
1115.3718260	0.06
1132.6027830	0.79
1140.9713130	0.66
1171.8446040	0.14
1172.9112550	0.19
1173.9245610	0.31
1208.0750730	0.14
1222.5617680	0.09
1364.7214360	0.10
1512.9687500	0.16
1528.6878660	0.04
1534.7816160	0.09
1537.3660890	0.10
1576.2220460	0.09
1587.2458500	0.49
1611.7199710	0.10
1654.2379150	0.17
1654.9593510	0.11
1656.1719970	0.06
1661.4847410	0.12
1662.4796140	0.14
1699.0921630	0.06
1725.0079350	0.25
1736.7344970	0.11
1749.8314210	0.05
1766.0428470	0.12
1767.1168210	0.06
1786.5061040	0.06
1797.1809080	0.07
1800.5515140	0.14
1802.2561040	0.05
1805.0028080	0.59
1820.1690670	0.50
1823.3111570	0.07
1835.5069580	0.11
1840.2088620	1.69
1841.6822510	0.07
1851.3542480	0.27
1864.1788330	0.12
1866.0091550	0.11
1873.2896730	0.06
1875.3039550	0.23
1877.0285640	0.12
1886.3695070	0.68
1887.4758300	0.67
1888.9473880	0.21
1890.8966060	0.15
1896.1683350	1.77
1903.0189210	0.08
1906.2205810	0.21
1908.5382080	0.98
1915.2751460	0.08
1916.7751460	0.06
1917.4749760	0.19
1918.7930910	0.61
1919.6947020	0.08
1921.2601320	0.58
1924.4090580	0.13
1931.3494870	0.14
1932.6016850	0.17
1933.3629150	0.14
1934.6602780	8.05
1939.2215580	0.05
1941.1036380	0.51
1942.5797120	0.33
1944.1990970	0.04
1944.8865970	0.13
1945.7902830	0.26
1948.5100100	0.27
1949.5574950	0.07
1953.9323730	0.53
1955.0706790	2.89
1959.5095210	0.05
1960.7189940	0.41
1961.7556150	0.04
1964.3673100	0.71
1966.0617680	0.26
1967.6243900	0.34
1969.7659910	0.48
1971.4855960	0.07
1972.2625730	2.66
1973.1553960	5.77
1973.9567870	0.25
1974.5760500	0.22
1975.9968260	0.73
1977.9691160	0.21
1978.9998780	0.06
1982.2083740	0.24
1985.9904790	0.68
1986.7434080	1.21
1988.3347170	0.09
1989.8946530	5.04
1992.9249270	1.25
1993.6343990	0.67
1994.4250490	1.24
1996.4356690	0.08
1997.6732180	3.48
1999.9730220	0.82
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
95.0745163	0.50
97.08222961	0.65
98.94799805	0.42
112.9192352	0.69
115.2168808	0.31
120.8709946	0.19
122.932312	0.77
125.0966187	2.56
126.9905701	0.85
128.9473419	1.06
131.0579224	0.63
135.0631561	0.59
137.0270538	0.25
138.8887787	1.05
141.016449	1.02
142.1425476	0.57
143.0670776	1.26
146.9753418	0.87
149.205658	1.13
150.9551086	0.84
152.8746643	1.10
155.0657349	0.74
156.970459	0.46
161.0171661	0.20
163.0054169	1.25
164.7615204	0.25
166.8004608	0.75
168.9782104	2.05
170.0230408	0.29
171.1505127	0.34
172.9587402	2.08
175.1915436	0.35
176.8444061	1.77
178.8697815	0.86
181.1528015	1.11
182.5854034	1.39
183.3175201	0.51
191.2683716	0.26
193.113739	1.27
194.972641	3.18
196.8569946	1.87
197.5339813	0.15
198.233139	0.40
199.213974	0.73
202.9576569	1.11
205.3396606	1.16
209.0700073	1.48
210.243042	0.29
211.1526184	0.56
212.2711182	0.42
213.2028503	1.33
215.125061	0.39
219.2631836	1.38
220.9370422	0.69
223.1551208	1.40
224.3495789	0.15
225.2721863	2.70
226.2885132	0.19
227.1270142	0.67
229.2174377	1.21
232.0764771	1.50
233.1627502	0.39
235.1441345	1.46
237.1211548	1.48
239.4115601	2.31
240.3503723	0.27
241.2340393	0.94
247.0393066	0.15
248.9908752	0.98
250.1682129	0.90
251.0962524	2.10
251.9606628	0.32
253.1563416	8.47
255.4050598	0.78
257.2512817	0.65
263.3012695	0.53
265.1333313	2.13
266.3076782	0.39
267.2794189	3.63
268.1479187	0.22
269.2113342	2.32
270.1221008	0.80
271.4458618	0.32
275.1121521	25.32
280.1381531	0.25
280.8730164	1.25
283.1027527	6.23
287.2423401	0.31
289.2466125	0.26
290.8829346	0.74
293.2121887	100.00
294.1300659	0.36
299.5288391	0.75
303.122406	4.47
310.2803955	2.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	730.88
Annotation	Unknow
Peak:m/z	Relative Intensity
273.0091553	13.41
274.0509033	4.61
275.0193481	3.57
301.7670898	0.17
344.5918274	0.19
386.8865967	11.66
388.0084229	5.58
389.0614014	5.80
390.1988525	0.18
501.0230713	44.42
502.0117798	50.49
503.0168457	50.86
504.0054932	0.27
575.9555054	0.10
596.7233276	0.12
610.1903687	0.26
611.9141235	0.09
614.8872681	36.73
615.8990479	89.14
616.9055786	100.00
617.5546875	0.58
618.2286987	0.21
628.1220093	0.43
629.0101318	0.62
629.8850098	0.17
639.8554077	0.14
646.1931763	0.16
655.9514771	1.71
656.8374634	4.56
657.9224243	1.23
671.7834473	0.08
672.7671509	0.12
673.8634644	2.48
675.0012207	2.49
683.9629517	2.19
684.8374634	1.51
685.9983521	0.34
698.3211670	0.26
699.1020508	0.36
702.1304321	0.11
703.0249023	0.16
711.9938354	0.35
842.9848022	0.85
843.8146362	2.33
844.8432007	2.47
845.8807373	1.22
956.8811035	2.32
957.8608398	6.19
958.7559204	6.89
959.8364258	2.46
1070.4423830	1.04
1071.8004150	6.45
1072.8067630	5.91
1073.7546390	3.72
1076.9667970	0.09
1184.7070310	0.87
1185.8396000	4.47
1186.7513430	14.54
1187.8775630	6.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	605.2995
Annotation	3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol
Peak:m/z	Relative Intensity
195.3330688	0.03
204.9006042	0.04
237.1062775	0.05
281.0733948	0.12
305.1852722	0.04
344.6843262	0.03
358.0471802	0.13
362.0483398	0.21
434.1925049	0.05
443.4863281	0.69
446.9558716	0.04
451.4510498	2.87
452.1022339	0.21
478.4403687	0.16
489.5880127	0.10
507.5513306	0.04
509.2553101	0.05
515.3792114	0.17
524.4689331	100.00
525.4886475	0.20
526.9556274	0.09
531.5775146	0.11
532.4010620	0.39
533.0525513	0.27
537.5645142	0.04
545.5448608	0.10
557.5850220	0.03
559.1886597	0.38
559.8065186	0.11
561.2964478	0.04
569.1102905	0.08
579.0240479	0.14
585.6015015	0.08
587.4064331	0.25
588.2559204	0.09
588.9620972	0.01
687.2636108	0.08
723.4553833	0.04
724.5243530	0.09
741.6774902	1.02
742.5477905	0.12
769.5581665	0.06
825.5265503	0.03
837.7539062	0.11
839.0765991	0.06
849.7334595	0.02
869.8850708	0.03
885.7292480	0.17
886.9946899	0.39
887.7207642	0.78
888.8459473	0.08
903.8098145	0.37
904.8230591	0.03
957.7868042	0.04
1031.2854000	0.08
1049.6878660	1.67
1050.6981200	0.53
1092.0900880	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	616.9
Annotation	Unknow
Peak:m/z	Relative Intensity
198.8315887	0.13
200.1137390	0.04
216.9786682	0.06
218.8556519	0.07
229.8045807	0.24
273.0015564	8.79
274.1143494	3.37
275.0908813	4.62
386.9818726	14.73
388.0092773	13.56
389.0615234	14.67
430.2496948	0.13
470.1068726	0.11
484.0197144	0.13
499.2408447	0.10
501.0061646	42.47
502.0216675	90.37
502.9711304	100.00
503.5933228	0.19
528.0716553	0.03
532.2060547	0.08
543.2462769	0.34
559.9159546	0.05
561.3636475	0.10
569.9928589	0.42
570.9980469	0.41
573.1432495	0.25
574.1846313	0.09
582.1446533	0.08
584.9034424	0.29
588.0856934	0.12
598.3356934	0.12
598.9672852	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
84.8875580	0.02
97.1223526	0.02
98.9510346	0.30
99.9422913	0.01
101.0758514	0.37
102.0496063	0.04
109.1117706	0.09
110.9972687	0.32
113.0630951	1.15
114.9801712	1.28
115.8699188	0.02
116.9724197	0.01
123.0191498	0.01
124.0104446	0.01
124.9777374	0.15
127.0842972	0.75
128.9156036	0.69
130.0008087	0.08
131.0700989	0.07
134.7187500	0.02
135.4050293	0.01
139.0569458	0.33
140.0547180	0.03
141.1065216	0.10
143.1191711	0.06
144.1654663	0.02
145.1173096	0.02
149.0412598	0.08
151.0547180	0.01
152.2013550	0.01
153.1149292	0.05
155.0802765	0.01
157.0038147	1.82
158.0345001	0.13
159.1061096	0.03
161.0726929	0.06
161.9666901	0.00
162.8903503	0.03
167.1368408	0.03
169.0679321	1.19
170.0652008	0.07
171.1694489	0.01
172.9281921	0.11
174.0560303	1.05
175.1097260	1.30
176.2143707	0.08
177.0414429	0.01
182.2640686	0.01
183.3385925	0.03
184.9387512	0.03
186.1628265	0.02
187.1799622	0.06
187.9197083	0.01
189.1613312	0.06
193.1828156	0.01
199.1286011	0.10
200.0786896	0.02
200.9099884	0.06
206.9670105	0.03
209.1341858	0.02
219.1775208	0.12
221.1083069	0.03
223.2740784	0.01
229.2931824	0.01
230.1142883	0.03
233.1578674	0.01
235.2360229	0.02
236.1833496	0.01
237.0657349	0.06
238.9817810	0.01
247.2779541	0.01
249.2216492	0.05
250.1985168	0.04
254.1816101	0.01
257.1754761	0.01
259.2382812	0.02
263.1335754	0.11
268.0552063	0.01
272.3676147	0.05
274.2949829	0.02
275.2716064	0.03
277.1119385	100.00
278.1412354	11.44
279.1267090	0.01
289.2542725	0.01
291.1360168	0.01
293.5771484	0.05
302.0961304	0.01
304.9949341	0.02
319.2005615	0.54
320.1711426	0.12
337.4959717	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.73
Annotation	Unknow
Peak:m/z	Relative Intensity
251.0391235	2.35
252.1293945	2.06
252.9897156	0.78
292.9867249	0.90
294.7187500	0.32
377.2731934	0.15
379.1075439	0.35
380.7646790	100.00
398.5924988	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	348.07
Annotation	dGMP
Peak:m/z	Relative Intensity
104.4745789	0.24
118.8341827	3.87
119.4440842	0.42
135.9355774	100.00
170.0605316	0.22
201.8870697	0.31
213.9569702	0.62
216.2572937	2.03
218.2614441	0.15
227.3114624	0.58
250.2104797	0.74
258.1171570	0.22
266.5143433	1.85
275.9014893	1.20
285.9102173	0.56
287.9284058	0.35
302.2258301	0.25
307.0515747	1.49
312.1650085	0.45
318.1448364	1.17
320.0622253	0.41
329.3060303	0.23
330.2872314	2.45
331.0286255	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2208
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
96.92125702	0.14
110.585907	0.21
112.941124	0.57
117.0337524	0.40
118.8689499	0.62
121.128067	1.07
122.9340515	1.32
125.0186157	0.70
126.9693909	0.31
132.9254761	0.44
133.5736084	0.41
135.1721497	0.38
136.9008179	0.49
138.9731903	1.27
141.000885	1.15
143.0081482	1.57
147.1196289	0.67
151.1249695	1.16
152.8661804	0.69
154.9080811	1.14
158.7443237	0.55
161.2411499	1.18
163.0596619	1.07
164.8503876	0.60
165.8623657	0.53
166.9819641	0.84
169.2107086	1.04
170.8822632	0.28
177.1412506	0.22
179.0368195	0.38
181.0772095	1.50
183.1276245	1.86
184.5350494	0.28
185.273468	0.33
187.3495178	0.16
189.14505	0.44
191.4099731	0.15
193.1457672	1.22
195.1661072	0.88
197.1113129	1.74
198.3739319	0.76
204.8221436	0.39
209.23703	0.37
212.122345	1.37
213.0102539	0.66
220.2952271	0.52
222.1727905	0.18
223.2200012	1.57
225.1963196	2.96
227.0637512	1.11
228.9588013	0.33
230.8997498	0.45
233.1828308	0.81
235.1329041	0.52
237.2437439	0.26
240.1678772	0.96
241.0532532	1.34
243.5547791	0.28
244.4069519	0.25
247.3254395	2.22
249.1552429	0.82
250.0545654	0.27
251.2684326	2.78
253.0715637	4.42
254.8522339	1.53
256.8360901	0.95
264.1348572	0.92
265.3125	3.29
266.5953064	0.31
267.2073669	1.61
268.7847595	0.14
270.0847168	0.64
273.2639465	1.03
275.265686	12.68
281.3343201	0.35
283.3291626	5.66
287.8004761	1.20
291.2745972	0.66
293.2059021	100.00
294.7324219	0.56
295.440918	0.29
299.3583374	2.00
302.5845032	3.26
310.4520264	0.42
311.3035278	1.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.9536
Annotation	Unknow
Peak:m/z	Relative Intensity
167.1016541	0.29
171.2607269	0.56
177.2359924	0.34
188.2575531	0.27
236.0430908	0.19
309.7425232	1.57
311.2019958	1.56
326.9141846	0.24
329.1064758	0.54
342.5096436	1.52
351.7217407	0.39
377.7895203	0.64
382.9206848	100.00
383.5292053	0.97
386.1038818	0.19
396.0100403	0.45
396.7395020	0.17
400.0595398	9.80
400.7271118	17.50
405.3286438	0.22
406.6551819	0.43
414.1415100	0.23
423.5155029	0.13
431.7873840	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	567.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
197.2882996	0.22
203.3065186	0.04
219.4957733	0.03
221.0509796	0.02
223.3995972	0.05
225.1615448	0.34
226.3361511	0.04
241.2754822	0.08
243.2854309	7.70
244.2599487	0.15
255.3120575	0.22
257.4007568	0.83
265.4569702	0.05
267.4437561	0.21
269.2718506	0.03
281.4382935	0.02
283.2634277	0.06
285.3771362	0.38
289.2993469	0.07
299.5020142	0.05
307.3226929	0.32
309.4364014	0.23
315.2499390	0.13
323.4227905	0.11
327.5361328	0.08
330.5178833	0.02
351.6954346	0.05
369.2067871	0.05
387.4326172	11.20
388.2741699	0.41
405.3186035	100.00
406.4354858	3.13
419.4697876	0.30
429.3811646	1.41
430.3440552	0.20
447.4689941	0.63
449.2924194	0.06
461.5391235	0.03
471.4427490	0.20
475.5133667	0.03
483.5187988	0.11
489.5158081	0.19
493.5259399	0.07
501.6655273	0.09
519.5388794	0.03
521.3643799	0.03
531.2966309	0.58
544.3174438	0.23
549.4379272	40.36
550.5513916	2.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	681.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
265.7994995	0.06
273.2246704	0.08
299.3496399	0.08
328.2231445	0.09
330.3467407	0.32
359.9795532	0.36
431.2810059	3.48
477.2271118	7.19
535.5978394	0.07
536.3297729	0.20
560.2307739	0.55
561.2008667	0.07
563.5120239	0.21
566.5315552	0.17
587.3933716	0.49
602.6182251	0.18
635.3395386	100.00
637.2392578	0.14
660.2947998	0.59
662.9749756	0.36
663.7290649	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0431671	0.07
134.0760803	0.79
135.0620575	0.30
139.0115967	0.22
149.1039124	0.29
156.9280701	0.24
161.0556793	0.32
175.2391357	0.12
178.8688049	0.38
188.2575378	0.06
193.1290588	4.83
204.9717407	0.13
221.0727844	0.11
231.2523804	0.23
235.1646118	0.82
245.2046509	0.06
249.1263428	4.02
250.7993469	0.18
252.5915222	0.04
253.2224426	1.17
257.0183105	0.19
267.1077881	100.00
267.7545166	0.13
283.4360962	0.08
291.1778564	0.12
305.1655579	0.44
314.0642395	0.59
324.9714966	0.05
327.3399353	0.06
335.1888428	0.10
347.3167419	0.04
351.5263672	0.14
353.1201477	0.16
356.5357361	0.12
367.5508423	0.15
370.4388123	0.13
381.3690186	0.88
383.1530457	0.20
399.2887878	1.00
406.5095215	0.24
407.1636353	0.30
411.2823792	3.97
414.3463440	0.07
423.1412659	0.33
424.5524902	0.57
425.2955017	3.25
426.4314880	0.23
443.1362610	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.1446
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
171.4054108	0.01
172.0218201	0.03
175.1055603	0.13
176.1750031	0.01
177.1729431	0.57
179.0265961	2.73
179.9972229	0.16
185.2863007	0.06
186.1066284	0.02
192.1716614	0.11
193.0314941	0.19
194.1260529	0.04
197.1754456	0.46
198.3004456	0.02
203.1319122	0.12
203.9267120	0.03
209.5409851	0.26
210.2390442	3.44
211.3254089	0.51
212.4006958	0.03
213.0632629	0.11
214.1737366	0.04
226.1343384	0.28
228.2937775	0.18
231.0357666	0.07
232.2812500	0.05
236.1331482	0.07
237.2391968	0.11
242.2596130	0.15
243.1881256	0.02
252.1934662	0.09
254.1921997	12.67
255.1644745	1.63
260.3358154	0.11
262.9581909	0.08
268.2637024	0.02
270.3037109	0.13
272.1666870	35.75
273.2190552	4.73
286.2337036	1.01
288.1370850	5.55
289.0826111	0.92
304.2685547	15.56
305.2385864	2.53
306.1688232	100.00
307.2335205	12.26
320.1011963	0.24
321.1429443	0.07
338.0879517	43.23
339.1283569	5.73
349.2543945	0.06
353.2277832	0.22
354.1139526	0.07
361.4053955	0.16
364.3139038	0.05
395.2901611	0.05
425.2556152	0.04
461.4993286	0.05
464.1705933	1.35
465.1630249	0.36
473.8480835	0.02
482.2208862	34.52
483.2879639	6.85
505.9971313	0.10
510.4539185	0.08
521.9176636	0.02
536.1427612	0.17
549.4887085	0.07
575.2885132	0.53
576.3998413	0.15
593.2343140	17.06
594.1934204	6.45
595.6699219	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	fagopyritol B1
Peak:m/z	Relative Intensity
100.9495697	6.45
106.6153412	1.89
113.0278244	16.40
118.9719467	30.28
125.0582581	1.25
130.9556122	4.85
142.9659729	26.45
148.9082947	0.96
160.9572449	24.44
171.0448914	1.01
173.214447	1.36
174.1880188	1.79
179.0474548	100.00
205.0209351	0.89
206.9492798	1.24
209.2842712	1.83
213.9051208	0.59
230.0795593	1.66
235.8565979	0.71
236.9370422	0.83
243.1076355	2.39
244.9627686	2.61
249.0239868	3.68
257.0507202	4.69
267.230896	6.20
272.1299438	0.83
276.9989624	1.47
279.4369507	5.31
281.124054	5.48
285.1431274	1.37
295.1160278	12.17
296.8215332	3.23
303.1681519	0.88
313.1141357	1.79
321.1751099	3.30
323.032959	2.97
326.5283203	2.32
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
122.8612747	1.41
206.7958679	100.00
207.4526062	0.06
244.9111023	0.04
253.1455383	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.1539
Annotation	Vaccinine A
Peak:m/z	Relative Intensity
88.8992310	2.84
96.7481842	0.15
98.0755768	1.30
100.7333221	0.06
105.1703033	0.07
108.8379822	0.03
112.0271454	0.04
113.9775238	7.54
114.9940796	5.36
119.2446289	0.05
121.0228729	0.08
121.7412720	0.19
124.9686890	0.07
127.9747314	0.10
135.2229004	0.12
137.1664124	0.24
144.8816833	0.03
146.1544037	0.04
147.1370087	0.03
152.0358276	6.73
157.0327911	0.03
158.8915863	0.19
161.3217010	0.04
164.9695740	0.07
171.2097321	0.11
173.1346436	0.29
175.0626068	0.81
177.0466461	51.04
187.2004547	0.14
189.1593170	0.19
191.3409576	0.04
192.1290436	0.07
193.2721558	0.18
201.1165619	0.09
203.0139313	0.31
206.1052856	16.55
207.1965179	0.22
209.3477783	0.03
216.9794769	0.51
219.2579803	0.34
220.0520630	0.31
220.8350372	0.05
223.2197113	0.88
223.8601074	0.04
229.0809174	0.48
230.9969940	0.04
235.2430573	0.54
236.0856476	0.07
242.1328125	0.23
247.0545197	6.21
248.1502533	100.00
248.7702789	0.13
252.6598663	0.20
255.9705811	0.50
256.6839294	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
82.79595947	1.77
93.13374329	2.84
94.96214294	4.48
104.99617	4.85
108.8990326	4.13
114.9030609	6.66
123.130661	20.32
128.8319397	14.71
135.4016418	5.22
140.6092072	4.50
141.2649841	9.38
147.0956879	9.15
150.9419708	68.48
152.9542084	7.33
154.9651031	1.24
157.1490326	3.02
159.1990051	3.37
161.3557129	2.48
169.2297211	3.90
171.1736908	10.38
172.6974182	4.15
175.0085144	5.67
176.8539276	7.53
178.3624115	2.55
179.1248627	2.01
183.3777313	4.31
188.5972443	4.69
192.9963837	11.28
195.1008453	16.54
197.1316681	64.92
198.0761566	3.98
206.9972076	18.43
211.2170715	15.75
211.9832764	4.97
217.1655121	38.30
225.2430267	31.37
226.2743378	4.79
229.6665192	2.14
232.7467804	10.39
235.1983185	75.60
237.9828644	14.80
241.7985229	1.59
251.1885986	3.19
253.0841827	100.00
254.1220551	2.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
143.1267395	0.21
161.1049194	0.18
221.1308441	0.09
233.2313232	0.12
237.0611877	0.16
243.1031799	0.09
244.3545837	0.21
253.4371643	0.09
259.1498413	0.13
262.0087891	0.14
264.1245728	0.32
265.0152283	0.07
267.5491028	0.19
282.4747314	0.10
293.3750916	0.68
296.1062012	0.16
300.2332458	0.48
311.3215332	0.43
312.3171387	0.13
323.1822815	0.38
325.1360474	0.12
328.0000610	0.04
330.3655396	0.17
341.2909851	18.62
345.2200317	1.03
348.0818481	0.27
357.1694946	0.10
365.4305725	0.11
366.0329285	0.19
369.2169189	0.17
383.2289734	100.00
384.6627502	0.36
385.3441162	0.16
391.1109314	0.98
393.4076233	0.34
399.2506409	0.05
411.1399536	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	591.1349
Annotation	6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin
Peak:m/z	Relative Intensity
197.8296509	0.13
200.0847778	0.04
217.8945618	0.06
249.1911011	0.13
285.2189331	8.38
294.2088623	0.16
305.0780029	0.12
326.9995728	0.09
341.0163574	0.07
363.4090576	0.35
373.8265381	0.16
381.1868896	0.06
401.3285522	0.07
407.6813965	0.10
410.1616211	0.24
428.1677856	0.08
429.4526978	0.26
431.1966553	0.08
445.2006226	0.13
447.2278442	100.00
453.5778198	0.18
489.2815552	77.77
501.5597534	0.21
502.5715942	0.08
503.2382812	0.08
504.6745605	0.06
509.4348755	0.11
525.6787720	0.23
529.2906494	47.92
531.2664795	0.76
545.3637695	0.42
547.1444092	0.19
554.9710693	0.16
564.1804810	0.18
572.9281006	0.42
573.5952148	0.10
575.3731689	0.09
582.0718994	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	543.1298
Annotation	Galactotriose
Peak:m/z	Relative Intensity
200.8316040	0.90
258.0929260	3.81
260.3170776	1.69
261.2374268	2.51
290.9600830	0.26
292.2866821	0.32
306.1577759	1.29
314.7312012	0.45
321.0842285	2.96
332.9407349	0.67
335.8792725	0.38
363.0964355	63.70
381.2247925	100.00
395.6282349	0.41
397.0925293	1.04
405.1854858	0.39
411.1375732	0.36
420.1365356	5.32
423.2167969	0.84
442.9539795	1.07
444.9091187	8.97
483.3986816	0.39
525.3486938	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
107.6853943	0.04
108.9712982	0.03
126.9609222	0.05
132.9851227	0.09
135.1730042	0.77
143.2606964	0.02
154.9354858	0.02
161.1231079	0.43
173.0462036	0.63
178.4334412	0.21
179.1125793	3.88
180.7912292	0.02
191.0289764	100.00
192.1315918	0.04
224.8970947	0.07
228.1057434	0.01
230.9455566	0.02
236.8490601	0.05
259.2186279	0.01
262.9065247	0.08
265.2860718	0.05
267.0538635	0.02
291.4059753	0.05
297.1319275	0.02
307.187439	0.15
309.3261414	0.14
310.2788086	0.04
317.1652527	0.08
324.2161865	0.02
325.0104065	0.05
335.2084351	0.09
352.8900452	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	820.83
Annotation	Unknow
Peak:m/z	Relative Intensity
310.9428711	0.41
446.5305176	0.52
783.2958984	0.74
784.5560303	0.53
805.5255737	10.84
806.2489624	0.74
807.2424927	0.46
808.3571167	0.95
810.1069946	1.11
815.0562134	1.05
817.8518677	0.26
824.3870850	0.68
830.9983521	0.20
910.3078003	0.24
913.2031860	2.77
938.0922241	4.59
978.7786255	10.40
979.6571655	1.76
980.5033569	0.36
981.9080200	0.47
1144.1890870	0.60
1162.0541990	1.78
1193.7224120	2.77
1286.8165280	0.59
1312.9604490	0.26
1407.4083250	0.41
1418.6336670	0.53
1490.9332280	0.27
1593.3795170	0.47
1630.1950680	0.27
1659.5485840	0.83
1666.4727780	0.84
1670.2176510	0.14
1697.7535400	0.41
1705.6037600	0.13
1719.9923100	0.94
1748.3138430	0.30
1763.5994870	0.74
1766.0142820	1.31
1767.8114010	0.22
1771.2935790	0.34
1772.1888430	0.35
1774.9986570	0.72
1775.7486570	0.28
1790.0626220	0.14
1802.2955320	0.56
1805.6541750	0.47
1806.3948970	0.35
1808.2337650	13.25
1819.3062740	0.53
1828.4249270	0.90
1829.6761470	0.17
1833.4250490	0.35
1837.1607670	0.22
1838.2103270	1.74
1840.7979740	1.13
1852.4603270	0.30
1854.5744630	17.55
1856.3499760	0.23
1857.4543460	0.20
1860.5740970	0.36
1865.9517820	0.25
1867.4450680	0.23
1870.7653810	0.49
1876.6573490	0.44
1880.0213620	0.17
1884.6071780	1.05
1888.5933840	0.20
1891.1922610	0.19
1895.3070070	0.73
1898.4034420	0.59
1899.8205570	0.66
1901.3721920	0.60
1904.1563720	0.23
1905.3914790	6.77
1907.2951660	5.28
1910.0979000	4.74
1911.5886230	3.12
1915.5808110	0.32
1918.3658450	0.37
1922.6951900	1.14
1927.1815190	14.99
1932.9820560	9.48
1934.2429200	1.24
1935.1666260	0.20
1937.3548580	11.44
1939.1657710	19.15
1940.3084720	0.19
1944.7593990	0.40
1946.1839600	1.41
1948.5001220	0.55
1950.4149170	0.08
1951.0676270	0.32
1952.2834470	0.48
1955.4000240	10.98
1958.9544680	1.10
1962.3527830	2.47
1963.2237550	0.20
1965.8371580	3.99
1968.9058840	2.33
1970.6424560	0.26
1972.6502690	0.33
1973.5059810	1.31
1974.7772220	0.23
1975.9971920	42.14
1977.1927490	8.39
1978.2360840	1.44
1979.1505130	0.25
1981.5217290	4.50
1982.5163570	0.20
1983.3580320	1.66
1985.2872310	0.29
1986.7523190	16.16
1988.3551030	8.54
1989.2257080	13.02
1990.3068850	0.91
1991.0435790	1.17
1992.3939210	3.72
1993.3498540	25.55
1995.6413570	1.08
1996.6961670	17.39
1998.3815920	100.00
1999.6636960	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1078.21
Annotation	Unknow
Peak:m/z	Relative Intensity
288.8905334	0.06
356.2306519	0.16
359.8485413	0.08
361.3042297	0.12
486.7187500	0.15
504.2677612	0.45
512.9973755	0.07
524.2429199	0.21
536.1296997	0.21
632.9137573	0.48
705.5124512	0.14
728.5396118	0.10
732.7280884	0.32
773.0213623	0.42
915.5855713	0.13
930.7231445	0.26
932.2457275	0.19
937.8605957	0.38
974.1735840	0.71
979.5821533	1.04
989.3032227	1.12
989.9315186	0.38
990.7663574	0.30
991.5712891	1.01
992.2172852	0.66
996.6063232	0.51
999.9851074	0.63
1001.4144290	0.65
1002.5015870	0.24
1003.2851560	0.32
1005.1674800	0.54
1005.8725590	0.66
1007.5522460	3.62
1008.1979980	0.62
1009.3625490	1.01
1010.1821290	0.62
1012.0021970	3.78
1012.6519780	0.61
1013.8895260	0.23
1016.3134770	3.55
1017.1772460	1.24
1018.8929440	0.27
1020.3674320	1.43
1022.5793460	0.23
1024.7426760	1.63
1026.8310550	2.60
1029.1596680	5.93
1031.7183840	3.30
1033.8507080	2.81
1034.7545170	0.13
1035.8308110	4.41
1036.5328370	1.45
1037.6163330	5.25
1038.3847660	2.43
1039.8951420	13.86
1040.7010500	3.98
1041.8630370	8.90
1042.6781010	4.81
1044.4135740	23.62
1045.1975100	6.42
1046.1738280	0.51
1046.8137210	0.40
1048.8587650	12.57
1049.5057370	15.33
1050.3469240	0.10
1051.4466550	0.43
1052.4960940	1.05
1053.8139650	1.13
1055.9549560	0.63
1058.5344240	0.58
1061.9406740	2.22
1064.1716310	0.19
1066.6070560	0.82
1111.4887700	0.16
1136.1196290	0.10
1165.8724370	0.32
1196.9089360	0.84
1209.1132810	0.42
1209.7923580	0.42
1220.3176270	0.26
1221.3073730	0.59
1222.8217770	1.22
1230.6613770	0.55
1236.6762700	0.29
1240.6623540	0.32
1249.6942140	0.56
1250.5137940	0.93
1253.9459230	0.70
1259.0090330	0.94
1259.9605710	0.24
1261.0183110	0.85
1262.4619140	0.54
1263.9748540	1.24
1267.2316890	0.36
1268.8081050	0.35
1270.2929690	0.38
1271.0981450	0.68
1271.7366940	0.21
1272.4228520	0.27
1273.8417970	1.08
1275.1215820	0.06
1276.0876460	0.25
1277.4989010	0.61
1278.1651610	0.63
1285.4112550	1.54
1287.5482180	0.27
1289.7324220	1.01
1291.2199710	0.37
1292.7692870	1.59
1294.6514890	0.49
1296.4327390	0.77
1297.3632810	1.33
1298.3713380	1.77
1300.5006100	1.69
1302.9195560	0.44
1303.6533200	0.66
1304.4814450	2.06
1306.3660890	1.74
1307.2885740	0.08
1308.0195310	1.47
1309.3267820	0.67
1310.2351070	0.90
1311.3836670	0.92
1312.8240970	0.12
1314.8627930	0.41
1316.0390620	1.60
1317.5250240	2.05
1319.1666260	0.27
1320.8499760	1.10
1321.5227050	1.13
1322.1475830	0.53
1323.3488770	1.37
1324.0516360	0.19
1325.8358150	0.57
1327.0975340	2.18
1327.8809810	0.40
1328.6815190	0.91
1329.6851810	0.32
1330.5548100	0.61
1332.4022220	1.69
1334.2681880	1.26
1335.1938480	0.70
1336.2725830	0.47
1337.3850100	2.89
1338.1060790	1.96
1341.4012450	3.58
1342.4312740	1.29
1343.4154050	0.83
1344.3145750	2.35
1345.2635500	0.90
1348.2724610	1.70
1349.2792970	3.43
1350.0874020	0.46
1351.5738530	2.60
1352.6070560	0.88
1353.8062740	5.66
1354.8924560	7.72
1355.8878170	2.09
1357.7188720	0.23
1359.7677000	3.70
1360.4040530	17.75
1361.2406010	12.14
1362.0443120	0.24
1363.1251220	0.53
1364.0775150	1.95
1365.2467040	0.76
1366.4395750	1.59
1367.6212160	0.54
1370.4426270	0.70
1371.4581300	0.25
1372.8599850	0.09
1376.0948490	0.09
1377.5943600	0.45
1378.6132810	1.48
1380.2561040	2.12
1381.0679930	0.88
1382.5678710	1.85
1383.5228270	1.23
1386.3465580	5.34
1387.0998540	2.92
1388.1311040	2.36
1388.7955320	3.13
1389.7825930	1.54
1392.1412350	23.72
1393.0179440	11.00
1393.6765140	0.91
1396.4962160	0.35
1398.0200200	68.27
1398.8448490	100.00
1399.9831540	1.16
1400.7857670	0.28
1403.0534670	0.55
1408.8106690	0.53
1410.4727780	0.05
1429.2742920	0.22
1430.9375000	0.10
1464.3154300	0.10
1476.9152830	0.29
1478.0192870	0.21
1500.2088620	0.53
1518.9113770	0.20
1547.4096680	0.27
1554.1522220	0.05
1560.1024170	0.90
1610.3489990	0.30
1632.8057860	0.13
1637.4843750	0.83
1645.1468510	0.17
1645.8040770	0.44
1648.6684570	0.27
1649.8106690	0.06
1653.8073730	0.46
1680.0213620	0.06
1693.0933840	1.54
1703.5780030	0.30
1705.6788330	0.23
1708.0686040	0.12
1709.9191890	1.35
1710.7550050	0.64
1712.4006350	0.69
1714.4461670	0.10
1715.3824460	0.51
1717.0397950	0.15
1720.2532960	0.15
1725.9295650	0.23
1732.5443120	0.54
1733.6480710	0.43
1757.3830570	0.51
1770.1390380	0.09
1800.3394780	0.38
1801.0086670	0.37
1803.9161380	0.08
1804.6470950	0.88
1806.6730960	0.37
1811.1413570	0.18
1823.2164310	0.11
1823.8542480	1.04
1825.2603760	0.34
1829.7386470	0.17
1830.4362790	0.07
1837.4151610	0.06
1838.4932860	0.15
1839.3298340	0.08
1840.1368410	0.07
1851.1453860	0.24
1858.2113040	0.05
1865.9656980	0.06
1875.3389890	0.85
1879.4606930	0.32
1886.9450680	0.22
1891.4217530	0.09
1901.4812010	1.79
1902.6639400	0.34
1904.2923580	0.48
1905.5118410	0.13
1911.4888920	0.50
1915.7121580	0.08
1917.4216310	0.29
1918.5802000	0.08
1920.7976070	0.08
1922.4342040	0.55
1924.7376710	0.98
1926.8127440	0.23
1932.7420650	3.93
1934.3294680	0.07
1935.8421630	0.14
1937.1369630	0.11
1938.8685300	0.34
1940.7186280	0.29
1943.1895750	1.97
1945.2150880	0.37
1946.9681400	0.18
1948.7777100	6.68
1953.4805910	1.49
1955.4163820	0.67
1957.7103270	0.12
1959.2116700	0.59
1962.8543700	0.08
1966.4779050	2.64
1970.4625240	1.34
1972.4348140	0.29
1973.7154540	0.33
1974.7507320	9.04
1975.7711180	1.92
1976.4786380	0.98
1978.8449710	2.83
1980.3353270	1.55
1983.7521970	14.64
1989.6846920	26.42
1990.6993410	0.45
1991.5612790	0.39
1992.6400150	3.94
1996.0257570	0.12
1997.0964360	0.08
1998.0985110	6.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.05
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
211.015976	3.35
241.0923767	1.01
306.0608215	3.36
321.1832275	0.68
323.0376587	100.00
385.3031616	4.31
403.0223999	1.22
406.8081665	0.58
432.1881104	1.22
460.2226562	0.72
480.2857666	0.55
518.9621582	3.80
529.0621338	1.34
547.2155151	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.84388733	0.82
100.8469315	2.09
107.8497391	3.14
108.9905014	11.65
113.1971359	0.36
120.8577271	3.19
122.8676224	0.83
127.8918152	0.21
129.1359863	0.27
133.6582489	0.83
135.0889893	0.84
135.8547668	0.62
136.8833313	0.50
145.073761	0.40
149.0503235	0.17
151.181366	8.22
151.9665527	37.85
153.0140991	100.00
163.0535736	5.66
165.0519714	13.55
167.154541	1.43
175.3040161	0.30
176.9480896	2.92
177.808075	0.24
179.0506592	1.96
181.0566254	6.99
189.1921692	0.68
191.1795197	0.44
193.2841644	1.41
195.1425934	4.12
205.2576599	0.41
206.9674683	2.07
218.278656	0.16
219.0366516	2.92
225.120697	8.57
237.0328369	0.70
241.7615662	0.22
243.1329041	1.13
252.9621582	1.03
257.0296631	0.36
261.1600952	0.14
267.3920593	0.67
269.2009583	0.49
271.108429	0.91
281.2888794	0.18
287.1499329	0.36
295.4082336	0.55
297.0444336	0.34
300.1865845	0.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	538.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
153.1694641	0.22
160.3033752	0.05
167.0700684	0.19
170.0171661	0.05
171.0682983	0.74
178.9845886	1.68
181.3383484	0.13
183.9861298	0.25
185.1241455	0.57
191.9963379	0.44
193.2032776	0.07
194.0425720	0.21
195.2435913	0.14
196.9934082	1.69
197.8592834	0.11
210.0543060	0.79
211.1038818	0.08
213.0757141	0.97
215.0942993	0.08
218.1384583	0.05
224.2663879	0.27
226.1656799	0.05
229.0917053	0.39
230.1117554	0.05
231.1300659	2.93
233.1998444	0.05
234.3792725	0.06
236.3854675	0.23
239.0973511	0.08
240.1610107	0.40
245.9915924	0.35
247.9972839	0.23
248.9777069	0.13
250.3682098	0.05
252.2207336	0.30
254.1859131	8.47
255.1567535	0.45
256.1986084	0.11
257.2201538	0.03
261.1916504	0.14
262.3353882	0.10
264.4028931	0.10
266.3019409	0.40
268.3883972	0.44
269.9412231	0.09
271.1141968	0.06
272.1714478	1.21
273.2348633	0.05
274.2974243	0.19
277.2326050	0.07
278.2634277	0.06
279.3139648	1.26
280.4237671	0.13
281.1602783	0.10
286.3790283	0.26
288.2110596	14.72
289.2268372	0.41
290.3570862	0.18
297.1277466	0.30
299.1347656	0.21
300.2829590	0.43
304.3446045	0.26
305.2149048	0.19
306.1916504	6.20
306.9035034	0.07
308.4390869	0.32
311.4782715	0.11
313.2626953	1.19
317.9506836	0.16
319.9531860	0.08
321.8352051	0.83
323.1666870	4.53
324.1781006	0.67
325.0001221	0.07
326.1367188	0.43
329.2993164	0.08
331.4630127	0.34
333.9375000	0.10
339.1744385	0.11
341.1939087	4.67
342.1550293	0.91
343.3521118	0.21
346.3527832	0.65
347.3873291	0.14
351.2236328	1.08
352.0842285	0.28
355.3073120	0.09
356.6251831	0.44
357.2905273	4.77
358.3480835	0.23
359.5598755	0.35
360.3197632	1.46
361.2684326	0.08
365.1889038	0.19
367.1536865	0.34
373.1900635	0.99
374.2777710	1.05
375.2305298	22.75
376.2680054	0.62
378.1830444	1.91
382.3722534	0.36
383.3441772	1.61
384.4252930	0.65
385.3343506	1.03
389.0489502	0.04
390.3261719	1.65
391.3744507	2.49
392.3257446	0.16
395.0962524	0.17
396.3211060	0.16
397.0898438	0.12
398.5653076	0.14
399.2475586	1.26
400.2012329	0.10
403.2801514	0.13
406.2442017	0.17
407.2426758	0.40
408.2400513	3.37
409.2362671	15.85
410.2070923	0.09
411.1991577	0.25
416.2673340	1.85
417.2243652	5.92
419.2222900	0.20
423.1398926	0.14
424.3613892	1.95
425.3355103	0.45
426.3052368	0.93
427.3577271	0.71
429.2432251	3.77
434.1630859	1.09
435.1623535	0.37
436.3260498	0.93
437.4638062	0.26
440.3399048	0.15
442.2489624	9.22
443.3352661	0.18
447.4865723	0.07
451.1279297	0.08
452.2305298	6.19
453.2991333	2.46
454.3032227	0.36
459.3181763	0.63
460.3721313	3.89
461.9243774	0.51
463.3310547	0.48
468.3389893	7.88
469.1905518	0.09
470.2750244	6.55
471.3059692	3.72
472.1403198	1.73
474.1236572	0.48
475.2189941	0.11
476.4129639	0.38
484.3597412	0.32
486.2210693	82.20
486.8773193	0.98
487.5131836	0.07
493.4707642	0.11
494.5564575	0.14
502.1762085	4.30
504.3258057	100.00
505.4984131	0.09
519.3998413	9.82
520.2619019	64.68
521.2148438	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	745.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
209.4136200	0.08
223.2543335	0.12
226.3490143	0.18
246.1726227	0.11
260.2443237	0.44
272.4768066	0.28
292.3660889	0.11
295.5052185	0.10
299.2978210	0.21
300.1805115	0.22
313.3520203	0.12
328.5120850	0.04
336.1055298	0.05
338.3441467	0.10
339.4111328	0.09
342.1762695	0.07
352.1412964	0.12
357.3890991	0.42
365.1195679	0.30
385.0971069	0.41
386.5592041	0.08
391.1768188	0.25
404.1025391	0.10
415.3294067	0.16
434.3768311	0.23
436.4355469	0.08
452.5046997	0.06
459.9436646	0.13
464.3587036	0.13
465.7120972	0.08
479.5252075	0.08
482.6625366	0.07
488.3421021	0.17
496.4704590	0.21
497.2542114	0.17
498.6104126	0.39
499.5714111	0.31
505.3674927	3.94
506.3984375	0.50
507.3370361	0.61
513.2388916	0.36
523.4591675	0.35
525.6481323	0.21
526.5827026	0.42
529.2836914	0.16
530.8483887	0.09
531.5137329	1.95
532.5441284	0.84
533.2453613	0.43
535.2081299	0.24
537.3057251	0.17
539.3712769	21.45
540.4678345	5.10
550.4223022	0.39
555.3877563	0.52
556.4077148	0.21
558.3364868	0.05
563.1810913	0.25
564.2472534	0.34
565.2777100	1.02
566.6842651	0.07
573.3142700	16.87
574.4542847	2.72
583.2664185	0.05
584.9910889	0.17
587.5358276	0.41
593.4285278	0.12
599.4974976	1.80
600.5847778	0.13
610.5701294	0.08
617.1640015	0.07
627.5662842	0.10
631.7534180	0.17
633.4359741	0.13
643.1456909	0.11
644.7011719	0.61
645.7324829	0.64
661.6274414	0.22
667.6263428	0.26
670.7885742	0.08
677.5399170	9.15
678.5632324	4.35
679.5092163	43.75
680.6153564	13.98
685.4876709	0.24
694.4413452	0.10
699.7175903	0.17
701.3896484	0.13
702.9774170	0.14
711.4432373	100.00
712.5435791	34.67
721.4987183	0.21
727.4685059	3.16
728.5488892	0.92
736.6231689	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	309.0614
Annotation	Mono-trans-p-coumaroylmesotartaric acid
Peak:m/z	Relative Intensity
115.0851440	0.10
127.0272064	0.03
133.0590515	0.96
134.1272278	0.03
148.9822693	0.10
159.9928284	0.02
170.0602112	0.01
178.1797180	0.01
193.0109253	100.00
206.7821655	0.02
227.3838501	0.01
237.0952454	0.01
249.0816650	0.04
251.1688843	0.01
262.6830139	0.08
263.3533020	0.22
265.1752930	0.12
266.9495850	0.02
271.1193848	0.02
281.1707153	0.01
289.5177612	0.32
290.4704895	0.94
291.5335083	0.08
302.2323608	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.1013
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
116.8189392	5.56
132.835495	1.50
149.0895081	0.95
153.0599213	1.16
163.0401611	100.00
164.0071411	90.16
177.0188904	2.23
218.2342224	1.70
234.2469788	2.49
241.1008911	7.69
283.3513184	5.37
289.7567749	1.27
292.9904785	2.49
297.4475098	2.11
302.883728	3.03
311.4347534	2.77
314.236908	0.94
315.0248413	2.22
333.3932495	2.27
337.4328918	4.77
338.220459	5.04
338.9673462	1.28
341.6948853	3.44
346.7657776	2.38
360.0299072	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1437.3
Annotation	Unknow
Peak:m/z	Relative Intensity
407.3805542	0.06
453.2283936	0.04
466.4745483	0.04
472.3764038	0.08
480.3667908	0.06
494.2600098	0.03
506.3992615	0.04
517.8842163	0.03
521.3161621	0.14
537.3547974	0.04
538.0918579	0.09
539.5900879	0.03
542.5513306	0.04
545.3568115	0.13
580.6325073	0.04
589.1767578	0.10
594.2709351	0.02
595.6334229	0.06
611.9613647	0.14
628.4776611	0.11
646.9816895	0.16
655.7692871	0.02
658.6929932	0.08
669.1533203	0.14
689.6854248	0.01
695.6746826	0.08
697.7137451	0.07
704.3902588	0.06
719.2597656	0.02
722.2584229	0.05
732.6756592	0.06
736.4937744	0.04
737.6807861	0.07
741.5014648	0.03
748.4459229	0.07
749.7661743	0.08
769.3270264	0.08
772.5407104	0.03
785.0692139	0.08
807.6301270	0.05
808.9877930	0.05
822.4213867	0.04
836.7968750	0.06
842.7700195	0.07
846.5998535	0.04
852.5522461	0.03
869.4688721	0.03
892.5548096	0.04
920.6387939	0.07
930.8073730	0.05
931.8020020	0.03
941.5424805	0.12
946.1168213	0.05
947.7099609	0.02
959.4882812	0.05
970.1302490	0.02
979.4597168	0.13
980.9450684	0.15
984.5251465	0.05
986.5076904	0.04
997.4815674	0.11
1001.8521730	0.02
1040.1875000	0.06
1049.0047610	0.03
1053.3070070	0.11
1054.5803220	0.05
1058.8514400	0.13
1066.4177250	0.05
1069.7572020	0.13
1072.7659910	0.05
1073.5214840	0.06
1115.7996830	0.12
1116.7268070	0.21
1119.3304440	0.24
1127.7249760	0.11
1133.0482180	0.01
1141.6799320	0.09
1143.3850100	0.21
1153.5527340	0.16
1155.8209230	0.03
1160.4139400	0.26
1162.7199710	0.09
1167.7440190	0.37
1173.9875490	0.14
1175.3022460	0.13
1178.3796390	0.18
1181.0316160	0.24
1183.8129880	0.27
1184.4638670	0.10
1187.7781980	0.26
1192.3432620	0.21
1193.5957030	0.07
1198.2681880	0.11
1202.1655270	0.08
1203.1944580	0.12
1213.6857910	0.17
1215.5563960	0.02
1216.2824710	0.09
1219.5625000	0.04
1220.8397220	0.26
1222.3710940	0.09
1223.1165770	0.04
1223.9077150	0.26
1224.6942140	0.14
1225.8491210	0.52
1229.2788090	0.10
1230.0394290	0.08
1231.6845700	0.03
1233.8239750	0.06
1235.1086430	0.24
1236.4005130	0.31
1237.6870120	0.39
1240.5180660	0.10
1242.3406980	0.30
1244.3793950	0.14
1246.1055910	0.59
1246.7513430	0.10
1250.3532710	0.12
1251.7535400	0.03
1252.9729000	0.25
1253.8098140	0.40
1254.4825440	0.43
1255.5093990	0.30
1256.2904050	0.19
1257.0147710	0.18
1257.9581300	0.61
1258.9172360	0.53
1260.0791020	0.57
1261.0290530	0.06
1262.1577150	0.11
1262.7792970	0.24
1263.6937260	0.14
1264.9094240	0.28
1265.9230960	0.94
1266.8061520	0.03
1267.5195310	0.38
1269.5349120	0.14
1270.6572270	0.41
1271.6311040	1.21
1272.6467290	0.24
1273.7333980	0.73
1274.5778810	0.34
1275.4594730	0.22
1276.3203120	0.10
1277.8940430	0.90
1278.7666020	0.32
1279.4835210	0.17
1281.2199710	0.22
1282.0673830	0.26
1283.1802980	0.80
1283.8034670	0.25
1285.0605470	0.29
1285.9615480	0.09
1286.8317870	0.35
1287.7744140	0.93
1288.8385010	0.67
1289.8328860	0.73
1291.3754880	0.83
1292.1020510	0.40
1293.1983640	1.26
1294.2930910	0.80
1295.3859860	0.24
1296.7119140	0.44
1298.2885740	1.71
1299.6329350	0.91
1300.6647950	0.69
1302.0046390	0.66
1302.7689210	0.48
1303.3845210	0.48
1304.3295900	0.79
1305.9016110	0.71
1306.7730710	0.14
1308.0549320	1.04
1309.0009770	0.55
1309.7478030	1.04
1310.7999270	0.86
1311.8200680	1.12
1312.6140140	0.22
1313.6555180	0.77
1315.3553470	1.87
1316.4790040	0.96
1317.2227780	0.69
1318.0694580	0.69
1319.2364500	0.72
1320.7120360	1.53
1321.7685550	0.91
1322.5083010	0.21
1323.3752440	1.16
1324.1406250	0.21
1324.9458010	0.13
1325.6027830	0.32
1326.6110840	1.58
1327.3792720	0.95
1328.0081790	0.07
1329.0708010	0.45
1330.0473630	0.29
1331.0113530	0.90
1332.2648930	0.51
1333.1073000	0.18
1333.7215580	0.88
1334.7352290	0.60
1335.6628420	1.40
1336.8261720	1.83
1338.0195310	0.92
1339.9356690	0.78
1340.9897460	1.21
1342.0300290	0.72
1343.2242430	0.37
1344.0159910	1.13
1344.8486330	0.14
1345.5981450	1.11
1346.3078610	0.91
1347.2863770	0.94
1348.1867680	1.94
1348.9681400	3.99
1350.0566410	0.84
1350.6972660	0.56
1351.6348880	1.71
1353.5910640	1.39
1354.4511720	4.14
1355.2650150	3.16
1356.1412350	0.23
1357.4860840	0.84
1358.5073240	0.67
1360.0155030	2.89
1360.7858890	9.29
1361.6523440	0.12
1362.9309080	0.67
1364.0078120	0.14
1365.1594240	1.25
1366.1606450	0.63
1367.0748290	0.11
1368.3935550	1.60
1369.1789550	0.04
1370.2934570	0.43
1371.6232910	1.96
1372.4489750	0.67
1373.1625980	0.18
1374.0314940	1.45
1374.7932130	1.46
1375.6914060	0.11
1376.3356930	0.12
1376.9787600	0.55
1377.6037600	2.94
1378.5495610	0.24
1379.6342770	0.84
1380.3483890	2.80
1381.1492920	1.65
1382.2785640	1.09
1383.2719730	6.35
1384.2253420	1.31
1386.0402830	5.87
1386.6464840	5.95
1387.2843020	3.83
1388.0419920	0.24
1388.6458740	2.81
1389.3508300	4.46
1390.3479000	0.12
1391.9675290	15.79
1392.7194820	30.77
1394.2301030	0.28
1394.8527830	0.52
1395.4782710	0.02
1396.1407470	0.06
1397.5147710	2.05
1398.3808590	100.00
1399.6365970	1.52
1400.8708500	0.89
1401.7504880	0.15
1402.6901860	1.03
1403.4954830	0.36
1404.3160400	0.52
1405.5527340	0.12
1406.3034670	0.06
1407.0550540	1.11
1408.4804690	0.07
1410.0933840	1.28
1410.8389890	0.12
1412.6829830	0.94
1413.2835690	0.06
1414.6042480	0.08
1416.1185300	1.51
1417.0108640	0.25
1418.5460210	1.61
1419.3352050	0.64
1420.0543210	0.40
1421.2436520	1.27
1422.1224370	1.59
1423.4479980	0.11
1424.8122560	0.51
1426.1589360	0.05
1435.3242190	0.07
1458.4659420	0.02
1469.7512210	0.13
1487.5292970	0.02
1489.3348390	0.13
1494.4121090	0.08
1497.5384520	0.03
1501.9743650	0.12
1507.2694090	0.12
1512.1613770	0.08
1516.3680420	0.07
1519.1523440	0.12
1521.6776120	0.13
1522.5611570	0.06
1524.3599850	0.34
1525.0965580	0.05
1526.6094970	0.08
1527.3681640	0.12
1530.3656010	0.13
1537.9039310	0.23
1541.8443600	0.04
1542.6342770	0.04
1545.7281490	0.11
1546.7078860	0.33
1556.1040040	0.21
1557.0228270	0.10
1559.9512940	0.03
1561.5716550	0.24
1565.1190190	0.11
1568.4915770	0.42
1571.0446780	0.09
1574.3941650	0.08
1576.6514890	0.05
1577.4622800	0.10
1580.1514890	0.10
1581.3148190	0.06
1581.9781490	0.10
1583.1589360	0.03
1583.8980710	0.16
1586.6740720	0.15
1590.3045650	0.39
1594.0523680	0.04
1595.5599370	0.16
1596.1901860	0.12
1598.2502440	0.08
1600.3189700	0.10
1606.1295170	0.04
1609.1073000	0.10
1609.8692630	0.22
1610.9077150	0.09
1611.9876710	0.33
1614.7327880	0.21
1615.9162600	0.11
1617.3266600	0.09
1618.1522220	0.20
1619.1053470	0.07
1622.5896000	0.16
1623.3028560	0.08
1625.1644290	0.07
1626.2855220	0.16
1629.6915280	0.18
1631.5638430	0.29
1634.2891850	0.06
1637.6300050	0.05
1638.6942140	0.15
1639.4954830	0.06
1643.9083250	0.14
1645.5659180	0.03
1646.3895260	0.12
1647.6405030	0.04
1648.4520260	0.41
1650.2550050	0.40
1652.5406490	0.13
1653.3588870	0.02
1654.1346440	0.07
1658.1716310	0.04
1660.8411870	0.16
1662.4947510	0.13
1664.2114260	0.09
1665.3927000	0.19
1666.5103760	0.08
1668.0935060	0.31
1669.2481690	0.12
1670.1599120	0.09
1672.1343990	0.09
1673.1323240	0.15
1674.4709470	0.10
1677.1605220	0.17
1678.0098880	0.02
1680.2198490	0.09
1681.3055420	0.07
1682.9371340	0.21
1684.6275630	0.37
1687.7552490	0.12
1688.4257810	0.06
1695.6676030	0.03
1697.3939210	0.13
1701.3321530	0.28
1704.7323000	0.05
1705.9155270	0.19
1707.7048340	0.07
1708.5863040	0.23
1709.6851810	0.03
1710.5858150	0.19
1712.0229490	0.21
1713.5585940	0.20
1715.4780270	0.10
1717.8436280	0.14
1719.0137940	0.08
1720.4002690	0.11
1723.2409670	0.25
1724.1070560	0.10
1725.0823970	0.08
1726.7775880	0.11
1728.1755370	0.09
1730.1956790	0.25
1731.1427000	0.12
1732.2203370	0.14
1733.6285400	0.06
1735.0439450	0.15
1735.8699950	0.04
1739.9923100	0.21
1741.7146000	0.08
1743.5351560	0.07
1745.4635010	0.04
1746.2087400	0.07
1747.4257810	0.33
1748.7235110	0.12
1750.5609130	0.09
1751.7946780	0.08
1753.7196040	0.14
1754.9532470	0.08
1757.8826900	0.15
1758.5526120	0.18
1760.7154540	0.05
1761.8546140	0.04
1764.3381350	0.22
1765.4401860	0.16
1766.5247800	0.16
1767.1641850	0.15
1770.3262940	0.24
1770.9656980	0.06
1772.2327880	0.03
1774.0875240	0.25
1774.7180180	0.20
1775.7364500	0.05
1776.6779790	0.30
1780.5847170	0.19
1781.8057860	0.16
1783.9290770	0.05
1785.0676270	0.27
1785.7884520	0.26
1786.5982670	0.16
1787.5164790	0.27
1789.0144040	0.15
1790.2111820	0.05
1791.7073970	0.13
1792.5760500	0.07
1793.7969970	0.10
1797.1911620	0.16
1798.1208500	0.12
1798.7415770	0.14
1799.6247560	0.06
1801.4567870	0.25
1802.9591060	0.17
1804.9547120	0.45
1806.7474370	0.24
1808.1900630	0.12
1809.4747310	0.57
1811.9602050	0.09
1813.0843510	0.37
1814.3192140	0.22
1817.2082520	0.22
1818.5308840	0.07
1819.2435300	0.11
1820.2126460	0.14
1823.6004640	0.26
1825.1719970	0.10
1826.7115480	0.13
1827.7249760	0.33
1830.2927250	0.13
1831.1544190	0.28
1833.5333250	0.11
1834.8697510	0.83
1836.5230710	0.27
1837.5206300	0.47
1838.4031980	0.05
1839.6164550	0.53
1840.4958500	0.18
1841.7058110	0.28
1844.4283450	0.02
1845.2969970	0.18
1846.1843260	0.30
1847.4090580	1.76
1848.4683840	0.23
1851.1506350	0.35
1852.3568120	0.27
1853.0837400	0.16
1856.8592530	0.19
1858.3016360	0.04
1858.9613040	0.17
1860.0324710	0.17
1860.7258300	0.52
1861.9670410	0.27
1863.4261470	0.12
1864.6688230	0.05
1866.8479000	0.02
1867.8260500	0.31
1869.5416260	0.10
1870.9322510	0.69
1871.7093510	0.31
1873.2047120	0.18
1876.1927490	0.28
1877.1629640	0.03
1878.7316890	0.24
1879.4899900	0.07
1881.9339600	0.54
1883.9172360	0.21
1884.7205810	0.25
1885.3846440	0.14
1886.3929440	1.51
1887.2452390	0.29
1887.9691160	0.69
1889.0607910	0.18
1890.0194090	0.36
1890.9290770	0.21
1892.3059080	0.04
1893.3267820	0.21
1893.9890140	0.08
1894.6754150	0.09
1896.0559080	0.24
1897.3465580	1.47
1898.0067140	0.05
1899.0780030	0.13
1899.7180180	0.48
1901.4661870	0.07
1902.1590580	0.13
1903.6351320	0.45
1904.5196530	0.06
1905.6657710	0.40
1907.0100100	0.13
1907.8787840	0.05
1908.7376710	0.23
1910.5582280	0.23
1912.3977050	0.07
1913.0773930	0.33
1913.7122800	0.05
1914.6169430	0.16
1915.4260250	0.20
1916.0767820	0.07
1917.9405520	0.32
1918.7761230	0.09
1922.0642090	0.38
1922.6961670	0.11
1924.0008540	0.32
1925.1375730	0.22
1925.7771000	0.16
1926.5601810	0.27
1927.9382320	0.06
1928.5479740	0.06
1929.1524660	0.33
1929.7829590	0.13
1932.1343990	0.13
1933.3472900	0.52
1934.1594240	0.12
1935.4156490	0.19
1936.2674560	0.22
1937.0666500	0.24
1938.3542480	0.28
1940.1153560	0.66
1941.3607180	0.29
1942.4525150	0.09
1943.0855710	0.06
1944.6682130	1.08
1945.2742920	0.51
1946.0360110	0.21
1947.2425540	0.05
1947.8680420	0.15
1949.2521970	0.24
1950.9915770	0.08
1952.3078610	0.07
1953.1617430	0.20
1954.0135500	0.23
1954.9791260	0.76
1955.7707520	0.32
1956.7463380	0.04
1957.5955810	0.90
1958.5622560	0.24
1959.2491460	0.20
1960.0355220	0.20
1960.8367920	0.04
1961.7930910	3.57
1963.2374270	1.06
1964.2595210	0.29
1965.2232670	0.06
1966.7858890	0.63
1967.4206540	0.19
1968.6876220	0.34
1969.6696780	0.09
1971.1112060	0.04
1972.3201900	0.56
1974.3449710	0.59
1975.9346920	4.67
1976.8267820	0.27
1977.4577640	0.06
1979.7803960	0.08
1980.6649170	0.07
1982.2686770	0.14
1983.1754150	0.50
1984.0650630	0.40
1985.0515140	0.18
1986.4987790	1.54
1988.2847900	3.18
1989.6290280	0.24
1990.6326900	0.18
1991.4025880	0.22
1992.9971920	0.26
1994.6839600	0.36
1995.6343990	0.21
1997.4171140	1.14
1998.6937260	0.05
1999.3444820	0.29
1999.9957280	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	295.0337
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
127.9554749	100.00
156.9181213	0.04
166.0582581	0.30
167.9707336	0.09
175.1166534	0.09
182.8555603	0.07
184.0045929	0.04
187.3148804	0.17
190.2529907	0.06
193.2817993	0.10
194.0835876	0.06
207.0157471	0.09
223.2975464	0.28
231.1077576	0.21
236.9533081	0.10
249.1926270	0.19
251.1913452	0.45
265.3707275	0.09
266.3086548	0.07
277.2649231	0.58
294.9851990	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	523.3403
Annotation	L-Arginine
Peak:m/z	Relative Intensity
174.9799957	12.41
301.4039307	2.32
349.1846313	100.00
368.2647095	28.96
430.9075317	1.27
440.0433960	1.19
467.3640747	1.82
506.2266235	1.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.11
Annotation	Valyl-Glycine
Peak:m/z	Relative Intensity
59.8536491	0.34
69.9661179	1.80
90.0611572	0.19
97.9699402	0.66
102.8211517	0.08
111.9038239	97.79
114.3548126	0.18
115.0444183	2.86
116.0300903	3.93
120.9668427	0.05
127.0221863	0.15
128.9178925	100.00
130.1245728	0.20
133.1826630	0.16
133.9932556	0.45
138.4382172	0.16
139.0722809	0.95
139.8561249	4.45
156.9844208	32.22
158.0592499	3.19
166.1536713	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9933777	0.15
128.0474396	12.65
144.9680481	0.99
146.0568085	100.00
223.0705261	0.19
242.2254333	1.97
290.9052124	0.07
304.9990845	0.33
315.3314819	0.18
330.9317932	0.09
343.2419434	0.33
385.2619934	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	292.85
Annotation	Unknow
Peak:m/z	Relative Intensity
86.4291763	0.03
122.9532166	1.61
124.8590927	0.77
206.9236755	38.14
208.8408813	100.00
222.5748596	0.13
230.9442444	0.79
274.4488525	0.42
275.1172485	0.14
299.3967590	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.62
Annotation	Unknow
Peak:m/z	Relative Intensity
210.8363953	0.26
374.3468018	0.29
464.2672119	0.41
464.8721924	0.16
502.7073364	0.32
544.3416138	0.13
545.6328125	0.80
546.7355347	1.04
547.5422363	0.23
548.7194824	5.54
586.5690918	7.48
632.5695190	41.88
645.0072632	0.52
670.6129761	100.00
673.9639282	0.48
674.6595459	1.06
693.6279907	3.05
696.5872192	0.44
698.6815796	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	193.0506
Annotation	Speciosin D
Peak:m/z	Relative Intensity
107.0167542	0.25
111.0468445	0.05
111.8170624	0.09
117.0146027	2.08
120.9599457	0.04
126.8274841	0.04
128.8728943	0.18
131.2404022	0.05
133.9850311	100.00
135.0611572	0.06
147.1264191	0.05
149.0014954	55.99
156.8832550	0.06
162.4910126	0.06
165.1435547	0.08
174.1922760	0.13
178.0449219	24.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	383.1195
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
108.8990326	0.05
112.9191437	0.03
127.0348663	0.13
153.0388336	0.06
155.2788239	0.02
173.0451202	0.20
180.2325745	0.04
191.0619202	100.00
219.1672668	0.02
221.0472412	0.02
233.1471252	0.01
247.2603760	0.02
251.0860291	0.09
265.3400574	0.02
282.1728821	0.03
285.5841980	0.06
291.9675903	0.09
293.1546631	0.03
295.0237427	0.04
298.9219055	0.02
316.0178833	0.04
320.0571899	0.02
321.1540527	0.02
324.1354065	0.03
325.4801331	0.02
336.7372742	0.03
338.7962646	0.05
345.1642151	0.23
365.1555481	0.19
382.8121033	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	583.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0223999	0.24
192.2023468	0.13
199.1648712	0.09
201.0834351	0.13
220.9080658	0.10
233.1314850	0.36
243.1860657	0.05
246.4246216	0.05
259.6130371	0.07
263.0801392	0.27
264.1354370	0.06
267.0844727	0.04
271.7221375	0.06
305.1654663	0.31
307.1268921	0.19
308.2457581	0.10
309.4108887	0.12
323.4298096	0.10
334.2232666	0.11
343.4182739	0.15
344.4197998	0.10
359.3161011	0.49
361.3599243	33.28
362.3763428	5.26
372.4376831	0.13
377.2520142	0.10
385.6553345	0.09
393.3709717	0.06
403.4241943	3.87
404.4398804	1.03
412.3524170	0.14
421.2506714	2.24
422.5333252	0.26
424.4289551	0.05
425.4445801	0.09
426.1207275	0.08
427.6350098	0.19
439.2719727	0.22
479.1579590	0.06
486.5333862	0.13
505.3792114	2.20
506.4116211	1.09
510.3975830	0.11
512.4432983	0.07
521.4563599	0.45
523.3673706	38.05
524.4166870	6.84
529.4091187	0.12
537.3032227	0.34
538.5712280	0.28
539.4456787	0.15
545.9534302	0.10
547.4584351	1.74
548.6457520	0.59
563.1636353	0.30
565.4512329	100.00
566.4419556	24.21
567.3048706	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
110.9545288	0.11
113.0108795	0.04
114.2452316	0.01
119.8777847	0.02
122.2294769	0.10
129.0390930	0.09
135.9596863	0.23
138.2319946	0.03
140.8908539	0.03
143.2275543	0.05
144.9866028	0.08
146.0241089	0.05
148.0320435	0.17
148.8996582	0.06
150.1064758	2.19
151.8949585	0.31
158.9202881	0.09
160.2341614	0.11
162.0342102	0.03
163.0628510	0.03
168.0617828	0.05
170.7891541	0.05
171.8597260	0.09
175.0660095	0.27
176.1045532	0.57
182.0659943	0.02
186.2646637	0.02
191.9213257	0.11
194.0257874	0.16
197.9698486	0.03
200.1847382	0.04
204.1029205	0.43
210.0380249	0.12
216.2350769	0.04
222.2042236	1.08
226.0543518	0.03
229.8714294	0.04
231.5679626	0.11
234.3191833	0.03
240.1231384	0.04
241.6568909	0.10
243.0527649	0.04
246.1505432	0.13
246.9766846	0.04
252.1073303	0.36
253.1600647	0.03
267.1539917	0.19
268.1286926	0.14
283.1701050	0.02
283.8345947	0.08
285.9326172	0.46
294.1076660	0.21
300.2337036	1.74
312.1962280	100.00
313.4865417	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1069.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
306.2427673	0.51
315.2769165	0.21
332.3202820	0.23
349.2644653	0.23
359.0800171	0.26
360.1874390	0.31
361.3656311	0.12
368.2826233	0.05
369.2456665	0.07
377.2465210	2.61
378.0283813	0.26
400.2587891	0.21
409.3877563	0.06
417.2598572	0.19
420.3397217	0.63
430.2823181	0.08
435.3326111	0.17
436.2966003	0.21
448.2609558	0.65
462.2132568	0.40
466.4083252	0.16
467.4643555	0.17
475.6894226	0.11
499.3950195	0.14
528.0406494	0.20
539.3723145	0.08
545.0792236	0.12
546.2753906	1.01
547.6854248	0.21
558.0592041	0.20
563.4458008	14.84
564.3688965	1.50
565.2094727	0.07
569.5101318	0.20
659.8693848	0.08
660.5574341	0.77
696.5913696	0.34
773.5942383	0.74
774.4621582	0.18
790.6893311	0.44
836.2097168	0.13
839.9444580	0.38
842.7376709	0.22
844.2634277	0.41
879.5318604	0.29
884.8145752	0.15
888.9079590	0.14
891.8327637	0.21
896.9783936	0.30
908.3508301	0.07
925.5347900	0.22
956.6801758	0.17
957.9371338	0.57
960.0474854	1.40
961.2443848	0.17
963.2200928	0.55
967.1496582	0.66
969.0909424	0.65
973.4149170	0.72
975.5292969	0.51
979.0823975	0.63
981.4368896	0.57
982.1992188	0.10
984.3885498	0.50
985.6933594	0.63
989.7810059	1.05
990.3959961	0.50
991.4421387	5.65
994.7038574	0.62
996.3666992	0.33
997.3819580	0.53
998.6185303	0.69
999.4820557	0.23
1001.1859130	2.72
1002.3259280	1.47
1003.4990230	1.44
1005.8035890	7.65
1008.6984860	0.61
1010.1425780	12.50
1010.9534910	1.71
1011.6634520	0.51
1012.7843020	0.58
1013.8840330	0.09
1015.2309570	6.23
1016.2814940	0.39
1017.7438960	4.18
1019.3332520	9.45
1021.0673830	0.21
1022.0373540	15.64
1023.1098630	0.43
1023.9907230	1.23
1026.3188480	30.36
1027.2556150	0.92
1027.9279790	0.57
1029.1865230	0.70
1030.8679200	1.06
1031.5688480	0.08
1033.8962400	0.54
1035.6220700	4.21
1037.1054690	1.63
1037.8763430	2.11
1039.8437500	9.25
1040.8614500	1.44
1042.3560790	9.40
1044.1093750	13.85
1044.8979490	4.50
1045.6940920	0.91
1046.7589110	31.22
1047.8050540	0.69
1048.6406250	0.59
1049.9620360	0.56
1051.2224120	100.00
1052.4157710	1.19
1053.2924800	1.39
1054.0317380	3.88
1054.6726070	4.69
1056.2316890	2.86
1056.8825680	6.70
1059.2246090	2.57
1061.4353030	0.08
1078.2067870	0.43
1086.0725100	0.17
1091.2416990	0.27
1093.8145750	0.58
1095.7360840	0.61
1099.2600100	0.43
1106.4682620	0.70
1107.9288330	0.55
1108.7052000	0.08
1109.5053710	0.12
1110.4449460	0.78
1111.7413330	0.61
1115.1281740	0.45
1117.4483640	0.12
1120.5441890	0.48
1122.5062260	0.24
1126.2105710	0.71
1130.6484380	0.84
1134.1954350	0.23
1137.6711430	0.18
1139.9262700	0.09
1143.6461180	2.66
1144.6907960	0.21
1145.8046880	0.38
1147.7062990	0.50
1148.7907710	1.63
1153.3879390	0.14
1156.6735840	0.33
1158.7585450	0.51
1159.8669430	0.36
1163.1093750	1.90
1164.4627690	0.23
1165.7062990	0.42
1168.6882320	2.62
1171.3306880	1.71
1172.3271480	0.16
1174.4248050	1.28
1175.5155030	1.22
1176.7928470	0.63
1180.2514650	1.41
1180.9187010	6.39
1182.1210940	0.41
1188.7982180	0.55
1189.3986820	0.29
1190.5441890	0.32
1194.6590580	0.90
1195.4350590	0.32
1198.4395750	0.48
1201.8620610	1.37
1202.4678960	0.59
1204.3320310	0.93
1205.3881840	0.32
1206.2561040	1.72
1207.7902830	4.81
1208.4721680	0.46
1209.7082520	0.57
1212.0910640	2.08
1213.5307620	15.07
1214.1831050	4.34
1215.5119630	0.12
1217.0625000	0.83
1218.3085940	1.75
1219.4199220	1.57
1220.6099850	0.47
1221.4215090	1.61
1222.8361820	0.53
1223.9964600	2.36
1226.4177250	1.43
1227.1994630	1.81
1229.2082520	0.60
1230.0402830	0.64
1232.5686040	10.73
1233.2133790	9.72
1236.0859380	0.24
1238.7918700	94.83
1240.7305910	1.03
1241.5573730	0.47
1243.0026860	2.91
1244.0689700	0.30
1246.3468020	2.63
1250.8125000	0.77
1252.2822270	0.85
1253.9421390	0.93
1255.0131840	1.06
1256.3183590	0.98
1257.0281980	0.47
1258.4892580	0.41
1259.7297360	0.15
1261.3479000	0.92
1262.3789060	5.08
1265.2060550	1.16
1265.9478760	0.56
1268.0347900	0.56
1270.3857420	3.57
1271.4404300	2.84
1275.5607910	4.66
1276.6987300	3.54
1277.3002930	10.01
1278.5858150	0.41
1281.2099610	4.51
1281.8409420	2.85
1283.6737060	0.73
1285.5292970	0.52
1286.6108400	0.18
1288.4519040	2.40
1289.4660640	0.77
1291.1945800	0.48
1291.8110350	0.92
1295.1325680	5.92
1296.4008790	0.32
1298.2747800	0.29
1299.3138430	0.62
1300.7406010	14.45
1301.5153810	0.74
1303.5841060	0.09
1305.8802490	0.06
1307.8995360	0.07
1309.4682620	1.04
1310.1434330	0.72
1312.5865480	0.72
1313.8146970	1.47
1315.2786870	0.96
1319.0950930	0.75
1320.9190670	0.58
1321.8135990	1.09
1322.9715580	0.66
1323.9842530	0.50
1326.3216550	0.96
1327.6793210	0.32
1328.4895020	0.60
1329.4864500	0.38
1330.4281010	0.78
1331.5035400	0.48
1333.2807620	0.63
1336.8302000	0.22
1338.2445070	0.52
1340.6763920	3.03
1341.6596680	0.55
1344.5097660	0.21
1346.4427490	8.92
1347.4434810	1.71
1353.1575930	0.42
1353.8565670	0.57
1354.7564700	0.09
1356.4486080	2.23
1358.1611330	1.31
1359.5147710	0.37
1362.3681640	7.45
1363.0278320	0.86
1365.8426510	0.29
1368.2152100	16.82
1372.2640380	0.25
1376.9625240	0.14
1379.8614500	0.09
1383.3839110	0.50
1384.6627200	0.81
1386.5006100	0.89
1387.7686770	0.43
1391.3233640	0.25
1395.4172360	0.43
1401.5690920	0.46
1407.4989010	0.09
1409.3925780	0.15
1410.6496580	0.19
1418.8549800	0.37
1423.7103270	0.21
1428.9774170	0.11
1445.6380620	0.15
1457.2640380	0.09
1462.2485350	0.13
1463.7561040	0.21
1467.4322510	0.10
1472.7493900	0.24
1489.0839840	0.29
1496.8111570	0.38
1498.2948000	0.15
1511.7125240	0.07
1518.3939210	0.12
1521.4461670	0.24
1526.4750980	0.24
1529.3554690	0.26
1531.0007320	0.14
1541.0404050	0.12
1544.8182370	0.43
1550.0102540	0.35
1551.0496830	0.23
1552.7521970	0.13
1554.7900390	0.20
1555.4954830	0.48
1558.7901610	0.19
1574.8485110	0.37
1577.8636470	0.11
1579.5639650	0.16
1581.3968510	0.12
1586.4671630	0.09
1593.1401370	0.24
1597.2915040	0.17
1601.8922120	0.42
1602.6381840	0.06
1604.4173580	0.23
1605.2840580	0.23
1606.5618900	0.55
1610.3261720	0.15
1611.6862790	1.62
1612.4229740	0.37
1614.4918210	0.21
1616.6259770	0.11
1621.3808590	0.07
1623.2680660	0.66
1624.8583980	0.21
1626.0472410	0.43
1627.3325200	0.26
1628.4188230	0.22
1630.2725830	0.39
1633.7095950	0.55
1640.5914310	1.20
1643.3742680	0.07
1644.2144780	0.24
1650.1204830	0.70
1651.1340330	0.50
1656.5612790	0.63
1658.3406980	0.48
1663.4733890	0.07
1669.6981200	0.11
1670.8751220	0.73
1672.0858150	0.44
1672.9215090	0.16
1680.6564940	0.45
1682.1353760	0.18
1685.3292240	0.51
1689.4992680	0.47
1691.4099120	0.31
1697.4139400	0.47
1704.4558110	0.13
1706.3907470	0.83
1712.4011230	0.25
1713.4333500	0.37
1714.4709470	0.33
1715.4722900	0.99
1716.1468510	0.11
1724.5534670	0.17
1727.4962160	0.34
1729.9074710	0.55
1735.5950930	0.91
1739.6892090	0.09
1743.6608890	0.97
1744.5155030	0.18
1745.3151860	0.16
1747.7283940	0.18
1751.9821780	0.86
1752.9816890	0.15
1761.9356690	0.82
1764.3902590	0.44
1766.4630130	0.33
1767.6116940	0.15
1768.8507080	0.09
1770.7395020	0.72
1778.0251460	0.22
1779.5690920	0.27
1786.9582520	0.24
1787.7401120	0.08
1788.6883540	0.05
1792.3016360	0.39
1793.2258300	0.15
1799.4598390	0.27
1806.3724370	0.13
1806.9777830	0.06
1812.7486570	0.06
1814.1413570	0.15
1816.7171630	0.04
1828.6462400	0.34
1831.1385500	0.53
1832.2098390	0.10
1836.0811770	0.18
1838.9871830	0.23
1840.6979980	0.04
1842.3177490	0.08
1843.1370850	0.09
1844.0734860	0.18
1845.2717290	0.75
1846.0538330	0.12
1849.3645020	2.24
1853.6270750	0.16
1856.0817870	0.27
1857.2565920	0.29
1858.6412350	1.24
1860.4821780	0.17
1861.3931880	0.43
1863.2663570	0.77
1863.8895260	0.07
1866.6970210	0.09
1867.9217530	0.16
1869.8698730	0.08
1877.9841310	0.18
1879.0418700	0.19
1884.8210450	0.10
1886.2291260	0.57
1888.5496830	1.59
1890.3397220	0.14
1894.2489010	0.33
1896.0096440	0.68
1896.8709720	0.07
1897.6984860	0.08
1900.4803470	0.04
1903.0954590	0.32
1904.1802980	0.10
1905.0593260	0.19
1905.8698730	1.73
1906.8068850	0.08
1907.6268310	0.74
1909.1501460	0.06
1911.2318120	0.24
1912.6955570	4.69
1914.2081300	0.07
1915.7149660	0.23
1917.1989750	0.44
1918.7307130	2.10
1920.3055420	0.47
1921.0969240	0.79
1924.1558840	1.18
1927.6354980	0.84
1929.3625490	0.20
1930.1290280	0.18
1932.0240480	0.98
1932.9217530	3.05
1934.0787350	0.07
1935.0080570	0.92
1935.7188720	9.42
1936.6232910	0.06
1938.6949460	2.22
1939.6463620	1.41
1940.6282960	0.16
1941.2554930	0.05
1942.1590580	0.44
1943.5657960	0.17
1945.5203860	0.33
1946.7579350	0.07
1948.2791750	26.05
1949.8748780	0.43
1951.8229980	0.27
1952.6472170	0.23
1953.5075680	1.65
1955.5026860	0.93
1956.2399900	0.21
1956.9371340	2.45
1959.1580810	5.08
1959.8145750	0.94
1960.9566650	0.58
1962.0921630	38.16
1963.1789550	1.41
1964.5545650	0.17
1965.9549560	3.18
1966.8612060	0.94
1967.8048100	0.50
1969.2022710	2.57
1970.7386470	3.46
1972.9909670	0.23
1974.2332760	1.81
1975.2735600	0.59
1976.6075440	0.12
1977.7374270	1.54
1978.5510250	0.05
1980.2003170	2.33
1981.4191890	0.16
1982.0363770	13.40
1983.3083500	0.42
1984.5118410	0.32
1985.7938230	0.61
1986.6198730	0.81
1987.2371830	0.24
1988.8746340	0.11
1990.5806880	0.96
1991.1866460	0.07
1993.3983150	1.10
1994.0480960	0.33
1996.5935060	0.17
1998.1348880	0.38
1999.4947510	2.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	279.17
Annotation	13beta-Hydroxymamanine
Peak:m/z	Relative Intensity
97.0757141	0.42
100.9424820	1.67
110.9915314	1.38
138.0365601	100.00
148.2481384	0.61
148.9173431	1.23
166.9908142	1.29
173.0252380	1.42
191.1087036	3.13
198.2525024	2.24
203.1608887	1.37
204.2692871	0.95
204.8982849	6.85
221.0472107	2.08
223.2967224	0.49
233.2529297	1.90
234.7166138	1.21
243.5794067	0.72
256.9825134	2.29
261.1552734	3.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
175.1658173	0.08
191.0726929	0.03
206.9331055	0.10
223.1492004	0.17
240.9736633	0.10
253.1995544	0.03
254.7126465	0.13
255.9132996	0.08
259.1279907	0.12
268.2833862	0.04
283.2315674	0.10
289.2878113	0.42
293.0055542	0.09
302.9842834	0.04
323.0896606	0.12
341.2564087	100.00
359.3119812	0.14
369.1176147	0.19
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
95.1663208	0.70
107.1132355	0.18
113.1991043	0.26
123.0967636	0.58
124.9215012	0.82
128.4360504	0.18
130.9526062	0.23
133.1136322	0.48
135.0458069	0.83
136.8287659	0.67
138.9483948	0.97
140.6575623	0.16
141.2676239	0.87
142.9830933	1.94
143.9519958	0.43
147.245285	0.17
149.2003784	0.20
153.0162354	0.52
155.1721802	0.28
157.0115967	0.92
159.927063	0.10
160.7769928	0.34
163.0902557	0.16
164.8938904	0.36
168.9825287	1.67
169.960495	0.22
170.8413696	1.33
173.2433167	0.16
175.0020752	1.05
176.0987549	0.24
177.0766296	0.84
181.2669525	1.82
183.0389252	2.22
184.0802307	0.13
185.007019	0.55
189.3412781	0.37
191.06604	1.02
193.1575928	0.64
195.1386414	1.64
196.9916534	2.70
199.0926819	1.01
204.9645996	0.86
207.2869873	1.05
208.9024353	1.77
211.3235779	1.70
212.3740234	0.94
213.1853943	1.82
216.0465088	0.67
219.0265808	0.27
221.0354004	0.51
223.2622986	0.66
224.7998352	0.50
225.8590393	0.31
227.2192688	1.61
229.1451111	0.26
233.1305847	0.97
235.1826477	0.98
237.1029358	1.12
239.2193909	2.04
240.2507935	0.30
241.2583008	0.46
247.2386475	2.18
249.1662598	1.11
249.9163818	0.44
250.5474854	0.20
251.2384644	1.86
251.9127502	0.10
253.0931091	10.13
255.3680725	0.22
256.1832886	1.88
257.3497925	1.16
265.3165588	1.07
266.0568237	0.44
267.2428589	1.22
268.2141113	0.70
269.1077881	1.09
270.0991821	1.58
271.0187378	0.09
275.1753845	16.16
277.4689331	0.15
281.2324219	0.12
283.2427063	6.33
289.1505432	0.81
293.2165222	100.00
294.1954651	1.01
296.7297974	0.57
302.3468628	0.82
307.4804688	0.68
310.4603882	1.12
311.4038391	1.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	548.69
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8548279	0.15
290.3997192	0.24
291.0583496	0.13
296.6634521	0.55
314.9914551	0.15
334.8794556	0.38
373.0205688	0.52
380.8020020	14.17
462.5074463	0.58
464.7087402	100.00
473.3847046	0.14
474.9260254	1.39
501.9959106	0.34
525.3489380	0.65
547.9127808	0.13
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
161.1595612	0.20
212.9269409	2.28
290.3287048	0.10
290.9547424	0.07
293.3894348	0.08
294.8424377	0.11
296.8294678	24.87
302.9026489	0.17
308.9849548	0.07
344.8293457	0.05
377.0742493	0.03
378.2937927	0.29
380.6151428	100.00
381.3526611	0.19
388.9054260	0.06
404.6940308	0.06
408.8218079	0.17
418.5606384	0.04
423.1505432	0.05
446.9771423	0.85
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	263.09
Annotation	Ng-L-Glutamyl-L-aspartic acid
Peak:m/z	Relative Intensity
115.6117706	1.20
128.8127441	0.85
130.1298370	1.90
134.0129852	2.31
147.0660248	4.00
159.1334686	0.26
172.8318787	0.42
191.0861816	0.61
200.8273926	0.71
209.8724823	1.08
216.9831238	15.04
218.2195282	2.74
220.0071869	0.41
227.1371765	19.31
227.9775238	57.97
234.0793304	0.36
235.0105438	8.79
245.0102081	100.00
246.1103973	42.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
75.01378632	0.57
76.92323303	10.20
82.83028412	0.75
94.91729736	3.14
96.98486328	2.36
101.0220795	0.46
104.3636627	0.42
107.0786591	0.88
109.1106567	1.40
111.1216431	0.74
113.1657867	0.26
114.896347	0.16
116.9429779	0.13
118.9002991	0.27
121.1353149	0.10
123.0476685	1.83
127.146286	0.14
128.7873077	5.79
129.9722137	0.39
130.9000397	1.68
133.0478668	0.60
137.1233215	0.25
138.8539734	0.43
140.8516693	0.62
143.0105133	8.24
145.0801544	1.10
146.8730316	1.15
149.1459198	0.44
151.1266022	0.99
154.7570801	1.30
156.9589081	8.81
160.7634277	3.15
162.955368	0.16
164.7863159	0.36
167.0372162	0.31
168.0120392	0.20
169.1513519	0.88
171.2777405	1.11
171.9853058	0.14
173.0693817	2.94
175.1288757	0.79
179.1487427	8.64
183.2856293	0.33
185.0631561	0.30
187.0048065	1.11
188.9778595	0.29
193.1006622	0.55
195.1353912	0.81
197.24263	2.85
197.9809723	0.14
198.9992218	0.87
201.1492004	0.88
203.2371521	0.81
211.1925507	2.56
213.128952	0.17
214.8696747	0.44
216.052475	0.34
221.1725311	1.67
227.125351	0.44
229.2314911	0.64
237.2879028	0.18
239.1695557	100.00
240.2111969	0.56
241.6057739	0.52
247.8040619	0.78
257.0245361	3.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
109.2410355	0.19
110.2838135	0.31
118.7455597	0.45
121.0709839	0.58
123.0410309	0.40
124.8599472	0.76
127.0267181	0.24
127.9678497	0.18
128.973877	0.21
132.8448792	0.34
139.1374817	0.14
140.8792114	0.92
141.9516602	0.32
143.002594	1.60
149.2989502	0.56
151.1846008	2.32
153.0054321	0.60
155.0910339	1.77
163.1668701	0.37
163.8632812	0.55
165.2137604	0.43
167.1574554	0.40
169.0389099	2.61
170.5751801	0.52
171.410202	0.22
172.422226	0.17
174.851059	1.58
176.1038666	0.27
177.0693665	1.09
179.1004639	0.29
179.8888855	0.47
180.9647369	0.29
183.1955261	1.13
185.0142822	0.41
186.3191986	0.50
190.95961	0.50
193.2437134	0.86
194.9414978	1.30
195.557373	0.13
197.178894	2.74
199.1132355	1.47
201.0950928	0.12
205.1362	0.37
205.7515869	0.66
207.0963745	0.46
209.2617493	0.71
211.1764832	3.57
213.3302917	0.20
215.2080383	0.33
217.2393494	0.72
219.4761353	0.22
222.9401855	1.02
225.3088684	1.05
226.1066284	0.57
227.0903015	2.86
229.2324524	1.28
233.3945923	0.11
235.25354	0.85
235.9230652	0.20
237.2486572	1.06
238.6011658	2.83
239.3020325	0.91
240.6009827	0.70
241.2818298	0.44
249.026062	0.34
251.1272278	2.60
253.2315369	6.90
255.213562	0.17
256.2843323	0.23
257.1643372	0.92
263.5413208	0.28
265.1343384	4.21
267.131134	0.55
268.1201782	0.91
269.2805786	2.16
270.2109375	0.55
273.8152466	1.03
275.1766968	16.48
278.3011475	0.29
281.2036743	0.73
283.1369629	6.25
288.54422	0.74
289.4213562	0.59
290.0934448	0.64
293.2158203	100.00
294.3062744	0.69
299.0625916	0.62
302.1164551	0.90
310.4017029	1.64
323.4568481	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9251404	7.61
208.8284912	4.53
213.0983429	0.60
286.9454346	2.08
290.9028931	44.18
292.8703003	100.00
293.7517090	0.36
340.8159180	0.99
374.8135986	3.83
376.0815430	3.16
376.8015747	36.98
399.9412537	0.84
401.0877075	1.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	819.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
253.1948853	0.26
260.4250793	0.11
261.1472473	0.26
281.3400574	0.10
320.3012390	0.24
326.2731323	2.71
327.2511597	0.13
423.4019775	0.31
435.3329468	0.40
470.1733398	0.19
471.0983276	0.25
472.5684814	0.07
535.2230225	0.17
555.0460205	0.12
561.6031494	0.12
588.1768188	0.16
615.2866211	0.14
643.3193970	0.49
649.8156128	0.21
651.1061401	0.12
651.7630615	0.17
652.6565552	0.71
656.2579956	0.94
657.7124634	0.20
661.5413208	0.23
673.6954956	0.43
679.0991211	0.09
686.1303711	0.38
693.3803711	0.21
694.8342285	0.56
696.8817749	0.33
698.2292480	0.70
702.1139526	4.51
702.9890137	0.22
703.7167969	0.18
705.8786011	0.20
716.3123169	0.89
719.4894409	0.11
726.0803833	1.50
726.7969971	1.66
730.2894897	4.45
733.8717651	1.67
734.5843506	1.15
738.3208008	15.45
739.2158203	1.20
740.4641724	0.20
742.5263062	0.20
744.3466187	2.95
747.7905273	5.52
748.7306519	0.21
750.2019653	0.63
751.6884766	0.22
752.9908447	1.11
754.6782227	11.77
755.3841553	0.48
756.0511475	1.08
756.7649536	0.12
757.8186646	0.64
758.8971558	0.14
761.1702271	0.36
762.2094727	2.05
762.9036865	0.29
765.8252563	2.09
766.6085815	22.23
767.6578369	1.31
768.6095581	1.17
769.3927002	0.13
772.4276123	0.74
773.1548462	0.16
775.5910034	0.12
776.2662964	0.24
777.4273071	0.91
779.5864868	0.47
783.0861206	35.31
784.2103882	2.05
785.0856323	1.18
786.0241699	0.35
787.8889771	0.08
788.6113281	0.09
790.4858398	0.29
791.2191772	0.74
795.8871460	0.45
797.4097900	17.71
798.1643677	0.82
799.0781250	0.77
801.1192017	0.42
803.9633789	0.20
805.0167236	0.24
816.5119629	0.08
819.6736450	0.38
827.7090454	0.36
846.0994263	0.91
847.4754028	0.26
852.5200195	0.08
860.0332642	1.46
865.1140747	0.78
865.7539673	0.07
869.7092285	0.87
874.4680176	0.63
875.3803101	1.14
876.0233765	1.23
876.7009888	0.55
877.8855591	0.36
886.3604736	1.07
888.0171509	0.38
889.0338745	0.21
897.6548462	2.36
898.3954468	0.40
900.1088257	0.08
902.6381226	0.12
903.8121948	0.72
906.6310425	0.36
909.3134155	0.82
911.4790649	1.47
914.9701538	2.32
915.5745239	0.81
922.9946899	0.09
926.1996460	0.62
926.8203125	0.52
928.2213745	0.12
929.6260376	0.45
930.7846069	0.12
935.4172363	32.61
936.3707886	13.02
937.4298706	1.21
938.1389771	0.27
938.9531250	0.57
941.6012573	0.20
944.8621216	1.27
947.9070435	0.59
949.8905640	0.34
951.2838745	0.55
952.4682007	0.35
953.5923462	0.69
954.7234497	2.68
955.5422363	0.74
960.0163574	0.70
961.6085815	0.24
962.3289185	0.92
964.8698730	0.40
966.2683105	0.45
968.0571899	1.61
969.0749512	0.56
972.9177856	9.09
973.7836914	4.27
974.5071411	0.36
978.0961304	2.23
978.9216309	2.09
981.7066040	0.57
983.6394653	39.38
984.2605591	100.00
985.4033203	2.08
986.0164185	1.06
986.8637085	0.69
987.8663940	0.69
989.2744751	1.50
990.4526978	0.95
991.5590210	1.08
992.3485718	2.56
993.0554810	0.97
994.4526367	1.31
995.0529785	0.13
996.7556763	3.74
997.4907837	0.85
1000.7617800	0.94
1004.0588990	0.45
1005.6897580	12.66
1006.3298340	49.15
1008.0402220	0.52
1009.0590210	0.28
1010.2776490	0.81
1010.9364620	0.12
1011.5435180	0.35
1012.3699340	0.38
1015.6918950	2.35
1017.9120480	0.33
1019.1524050	0.06
1021.6916500	62.10
1022.3530880	11.34
1023.1353150	0.36
1025.7270510	0.12
1026.4982910	0.21
1027.6063230	0.12
1033.9005130	0.43
1037.4458010	0.63
1043.1051030	2.38
1043.8371580	49.55
1045.0213620	3.69
1047.7309570	1.07
1051.8038330	0.26
1052.6831050	0.21
1054.8654790	2.65
1056.8015140	0.44
1058.0058590	0.79
1060.7172850	0.06
1062.9165040	7.41
1063.5927730	0.06
1064.8471680	0.35
1071.0343020	0.43
1076.5594480	0.70
1077.9445800	0.32
1087.6600340	0.74
1099.4555660	0.06
1108.2700200	0.56
1112.6491700	0.28
1117.9538570	0.11
1126.6101070	0.77
1127.5039060	0.33
1144.7316890	0.96
1146.8580320	0.43
1155.0932620	0.36
1165.0275880	0.71
1170.0156250	0.28
1172.7248540	0.13
1174.4600830	0.40
1183.7001950	0.80
1200.6225590	0.15
1210.7755130	0.27
1218.2686770	0.13
1218.9530030	0.13
1220.4677730	0.82
1223.9152830	0.39
1226.7591550	0.88
1232.1154790	0.44
1232.7705080	0.32
1240.6898190	1.27
1241.3646240	2.05
1266.0460210	0.19
1268.9382320	0.19
1274.7967530	0.11
1280.9340820	0.17
1289.6306150	0.60
1294.7646480	0.08
1297.3833010	0.70
1298.2823490	0.24
1316.7032470	0.48
1332.1704100	0.64
1337.0108640	0.24
1339.8278810	0.05
1345.9193120	0.76
1354.0460210	0.16
1366.9772950	0.14
1377.2806400	0.36
1388.6319580	0.26
1402.3879390	0.08
1403.2686770	1.58
1423.9886470	0.16
1439.4987790	0.17
1445.4036870	0.09
1460.0192870	0.16
1489.9823000	0.32
1490.9410400	0.12
1493.3867190	0.27
1494.8796390	0.29
1496.5124510	0.22
1508.2510990	0.67
1517.1611330	0.17
1519.3648680	0.15
1599.1270750	0.18
1617.9644780	0.12
1646.9886470	0.16
1652.9512940	0.07
1677.0164790	0.17
1685.4650880	0.06
1688.3338620	0.23
1696.2774660	0.18
1718.8166500	0.25
1740.4290770	0.15
1749.7818600	0.55
1750.9572750	0.06
1762.4495850	0.13
1764.2091060	0.13
1781.4519040	0.06
1782.9893800	0.17
1787.3815920	0.68
1822.1424560	0.23
1823.8414310	0.18
1824.7694090	0.09
1831.5653080	0.43
1836.7181400	0.13
1839.2652590	0.45
1840.1384280	0.09
1850.3104250	0.33
1854.7135010	0.17
1865.8209230	0.65
1866.6320800	0.08
1868.9772950	0.19
1871.1607670	0.24
1876.2937010	0.76
1877.2716060	0.33
1883.4865720	0.45
1886.1942140	1.90
1894.7395020	1.34
1895.3489990	0.53
1896.6029050	0.10
1900.6793210	3.15
1901.8433840	0.53
1911.9797360	1.20
1914.8160400	0.18
1916.7711180	0.07
1917.4757080	0.08
1918.7287600	0.07
1929.1116940	0.10
1929.9771730	0.44
1934.0159910	8.11
1937.0377200	8.20
1939.5076900	1.46
1948.1237790	9.45
1950.8111570	5.01
1951.8132320	2.11
1952.5970460	0.07
1953.6345210	0.10
1955.6053470	2.92
1958.3885500	0.16
1960.4412840	0.43
1961.9388430	1.93
1966.9683840	1.33
1968.0362550	2.85
1971.9534910	0.76
1976.7131350	1.56
1979.3352050	0.59
1981.8441160	0.35
1983.0162350	0.51
1985.3747560	0.79
1987.0134280	12.82
1987.7540280	0.26
1988.7725830	1.12
1990.5515140	0.45
1992.2200930	0.15
1993.4544680	1.31
1994.5950930	1.25
1995.4896240	0.10
1996.5267330	0.08
1997.9437260	1.29
1998.9929200	0.99
1999.9929200	1.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	380.76
Annotation	Unknow
Peak:m/z	Relative Intensity
195.0792084	0.07
212.9313507	1.46
262.2746582	0.06
264.0733032	0.06
290.1745300	0.45
291.1808472	0.03
292.6475220	0.09
294.1764526	0.05
295.0825806	0.11
296.7500610	100.00
320.1082153	0.03
333.9959717	0.04
335.2305603	0.28
362.0916748	18.58
363.1064148	2.25
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
96.90352631	1.73
125.1735077	0.53
131.0951843	1.42
132.9443207	1.16
134.548172	0.84
137.2428284	0.76
138.936554	0.64
140.9733887	1.37
142.6373596	0.99
149.112793	1.24
151.7658386	0.47
153.0111084	2.58
155.3693542	4.88
167.0971375	1.12
170.9164276	3.59
171.9203491	2.04
176.8944702	2.84
181.1838989	3.45
192.2366333	3.27
195.0515289	2.38
197.3841248	1.62
199.2976379	1.90
201.2124786	1.04
205.0729675	1.68
209.2855835	1.59
211.3711853	1.16
213.3911133	2.71
215.1937561	1.59
217.1906128	0.95
225.3522644	3.35
226.2472534	2.76
228.9072571	1.63
232.2755127	0.47
233.3463135	3.72
237.1539917	0.87
239.3233948	3.20
240.7186584	1.50
253.1651001	5.34
265.3020325	8.45
269.0944214	0.93
270.2981873	1.90
275.1148071	23.06
283.1228027	8.69
293.206665	100.00
302.2166748	5.10
303.3634338	2.90
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
86.90376282	0.32
94.99274445	1.16
98.87931061	0.28
105.026123	0.66
107.055603	0.46
109.0689316	2.30
110.0878906	0.48
110.9895477	0.35
114.1953354	0.33
118.881546	0.92
121.0475769	0.65
123.0831451	1.46
124.9212036	0.23
126.8895416	0.28
128.607254	0.31
131.0634613	0.32
133.0696106	0.63
135.0550537	0.46
137.0343323	1.54
138.835968	0.80
143.1348724	0.87
147.8124695	0.35
149.0618286	0.45
151.2920685	0.65
152.9854431	1.97
154.8753357	0.21
157.2606812	0.57
158.9980164	0.16
161.090332	0.98
162.8599091	0.38
165.1622925	0.35
166.3392639	0.29
167.0447235	0.44
168.9531403	0.88
171.2055359	0.20
174.9879303	0.76
177.153656	1.99
179.032074	1.90
180.9339905	0.32
182.8670044	1.67
185.181015	1.67
186.3895569	1.60
187.3568115	1.01
190.2723083	0.74
193.0571289	2.09
195.3224182	0.90
197.1077576	6.20
198.0087891	0.30
199.1907043	1.05
199.857605	0.80
207.0890503	1.50
209.1951294	2.79
210.0670471	0.97
210.9753723	3.14
212.3641968	0.24
213.3726501	1.51
215.1426697	0.81
216.3347778	0.72
219.1661987	3.47
221.1104126	4.09
223.0390015	2.00
225.1814575	3.24
227.1786804	0.59
228.8876343	0.47
233.2569275	3.47
235.0574341	0.38
237.1962585	6.33
239.2324524	17.64
240.9682617	1.37
243.105896	3.83
243.9710999	0.39
251.1980591	3.97
252.0755615	0.44
253.2705994	1.90
255.4147949	2.16
256.2499084	1.15
257.2397461	1.30
261.3441162	6.80
269.3749695	0.84
277.0979309	1.09
279.223053	100.00
280.0864868	0.19
281.2849121	2.89
288.2310486	3.81
298.03125	0.38
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
114.9267044	4.88
116.0119781	1.20
130.9842224	0.39
132.0365295	0.04
133.1627502	0.06
158.9122009	100.00
159.9481049	26.13
198.9912720	1.41
200.0290527	0.94
201.9345093	0.02
217.0756836	1.16
218.1042175	0.77
227.1661682	0.06
228.9630737	19.26
230.0263977	12.82
245.0114136	0.39
246.1555481	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
94.66534424	0.84
96.85850525	1.20
106.9325104	0.74
110.4404068	0.32
113.1512451	0.29
118.9153824	0.22
120.9237366	0.31
123.098114	0.29
125.0284729	0.61
126.0591583	0.73
127.140976	1.07
131.1734009	0.27
133.1257629	0.51
134.6636658	0.36
136.1935883	0.60
141.0737	0.33
143.0384827	0.70
144.7126312	0.49
151.0554657	0.74
153.0660858	0.86
155.1176758	0.91
156.2005615	0.19
156.9385681	0.79
163.3529205	0.55
168.9594421	0.23
175.0373688	1.63
177.0156708	1.63
178.1636963	0.28
179.1442566	0.19
183.1921539	1.39
190.9851074	0.23
193.1731262	0.53
194.9865112	1.88
196.8677368	2.00
198.2390442	1.41
199.0843506	0.63
201.2410583	0.59
202.8411713	0.29
205.198822	1.00
207.1044312	0.42
209.0015259	1.31
211.1828003	6.04
213.2563171	1.21
215.1160889	0.91
222.76297	0.46
225.3045959	3.63
227.0375977	2.76
229.2310181	1.45
233.3019104	0.19
236.9356384	1.56
239.1102295	2.99
240.1073303	0.40
241.2364502	1.03
247.3114014	0.32
249.3389282	1.52
251.1716309	4.49
253.2471924	12.57
255.1320496	1.32
256.973877	0.94
265.2329102	3.58
267.0286255	1.60
267.6480713	0.57
268.802002	0.70
270.010376	1.41
270.9728394	0.75
271.7887878	0.95
274.6394653	1.15
275.2772217	15.50
282.1525269	0.32
283.1937561	8.42
284.1825562	0.50
288.9012451	0.97
293.2143555	100.00
294.1241455	1.65
296.9451599	0.55
302.6746826	2.83
310.3990479	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	485.1776
Annotation	Resormycin
Peak:m/z	Relative Intensity
142.9197540	0.56
144.9847260	1.38
146.0725403	3.73
149.0079956	0.08
159.0291901	2.33
160.0856476	3.50
161.0541382	39.94
171.0248108	0.08
173.1990051	0.46
175.1288757	6.91
179.1161346	0.78
185.2060547	0.71
186.8135071	0.29
187.4362488	0.06
189.1208191	60.16
197.2070312	0.29
201.2114563	0.66
203.1537170	29.70
213.5464478	0.10
215.0859528	1.91
217.0434723	0.27
221.0095367	10.55
229.1994019	2.31
231.2368011	1.03
232.9586029	0.35
241.0046387	0.23
243.1325989	0.37
245.2566223	0.07
259.1488953	0.37
261.1872559	0.57
265.1478271	0.17
269.2885132	0.52
275.2948303	0.15
277.2622986	3.16
287.0282593	1.55
289.0034485	0.12
293.0425110	0.16
295.2083130	0.87
305.2479248	100.00
306.5333862	0.07
323.2571411	20.28
395.1096497	0.12
397.3359070	0.14
398.4070740	0.36
439.2626343	0.20
449.3025208	0.58
451.5451660	0.47
457.3388977	10.89
467.2609253	26.93
467.9401245	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	409.02
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0760803	0.08
149.9970398	0.06
151.0993042	0.06
151.8920288	0.10
162.6911621	0.07
181.0757446	0.05
197.0264130	0.05
213.0982056	0.10
217.2399292	0.32
231.0524902	0.30
234.9061890	1.18
257.1172791	0.36
259.0814209	0.13
265.5613708	0.06
271.2451782	0.16
273.2495117	0.08
274.9283447	3.12
280.3686829	0.13
284.3566895	0.21
294.6218567	0.14
296.3336792	0.14
300.9707642	0.90
301.8323975	0.08
302.8339233	0.78
305.9541016	0.12
319.1419678	13.80
320.6221924	0.13
328.8461304	0.17
331.4301147	0.07
338.3825684	0.17
345.1314392	1.88
347.1091919	7.63
362.4367065	0.11
363.0732727	5.61
372.0244141	0.21
373.1613770	3.58
379.6600037	0.07
380.7103577	0.32
389.6307678	0.30
391.0365601	100.00
391.6693726	0.17
408.9997864	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	607.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
291.0589600	0.92
313.2265320	0.81
314.5034790	0.91
316.8044434	1.37
317.4446411	2.45
335.5544434	0.33
339.8818970	1.29
445.3883057	0.45
463.3359375	100.00
466.1440430	0.88
536.9689941	1.71
542.7754517	2.08
545.0634155	1.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	280.2631
Annotation	linoleamide
Peak:m/z	Relative Intensity
80.92150879	0.43
84.86240387	0.28
94.71510315	0.14
96.72392273	0.20
100.075882	0.29
105.0795288	0.21
107.1302872	0.15
109.0018463	3.66
110.898201	0.45
114.0461426	0.72
119.1958466	0.62
120.9185715	1.78
123.0565643	1.22
124.9522858	0.76
126.7664185	0.15
128.1338806	1.93
133.2269897	0.69
134.9746704	0.56
138.9900818	0.57
141.9900818	3.01
144.1580658	0.39
147.0963135	0.56
149.147583	1.83
151.1933746	2.31
153.1655426	1.78
155.0757751	0.42
156.2179565	1.45
160.9486847	0.47
163.2819519	0.85
165.0669861	5.22
166.9139709	0.75
168.148407	0.56
169.0541077	0.27
170.1580658	3.91
175.0844879	2.35
177.0036774	0.29
179.1140137	2.24
181.3011932	0.45
182.3370056	2.82
184.1569519	3.18
189.0812683	2.87
196.093689	1.95
198.1665039	2.52
204.3638611	0.27
205.5640869	0.88
207.157074	0.83
210.0076599	2.04
212.2424316	0.75
217.368927	0.77
221.297699	1.25
224.1465454	3.37
238.3005371	0.97
243.8265076	0.30
245.2603149	45.58
249.0827942	6.76
263.2293701	100.00
265.2738037	0.70
283.2868652	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	406.16
Annotation	6-Acetonyldihydronitidine
Peak:m/z	Relative Intensity
198.0563812	0.08
243.9440308	1.58
245.0015259	0.38
255.4623718	0.10
259.2628479	0.01
266.5392151	0.05
271.9967041	0.08
277.3006592	0.41
283.5599365	0.04
287.4483948	0.42
289.0974731	100.00
290.3788452	0.07
307.9918213	0.03
315.8213806	0.11
325.9218445	0.02
329.5814209	0.01
341.9667969	0.01
344.2850342	0.08
345.1459961	0.08
361.1752014	0.54
361.9641113	0.21
369.3792114	0.07
373.2354431	0.06
377.3139343	0.02
387.2783508	0.04
388.1755676	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	257.0779
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
96.9228516	0.07
125.9625702	0.14
128.0200500	100.00
166.2409821	0.14
168.9633026	0.08
173.2214508	0.10
184.9979095	0.13
195.1759491	0.22
197.1611481	0.12
213.0320587	0.49
227.1557159	0.10
229.4356842	0.07
238.2955170	0.27
239.3420868	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.16
Annotation	Pacidamycin 5T
Peak:m/z	Relative Intensity
112.3086929	1.49
119.9793091	11.54
120.7145233	0.46
132.0006714	0.36
140.8385010	0.44
148.9162598	27.64
167.0084686	6.94
198.4894104	0.46
221.3029785	2.35
227.2310486	0.31
239.1413879	0.53
251.0419617	1.03
254.8341980	0.21
256.1381531	2.13
256.8804626	0.87
259.6059265	0.51
260.4932251	5.36
271.2742310	0.19
275.4491882	0.74
278.9183960	15.60
284.2519226	2.36
295.3957825	0.48
297.3387756	0.39
303.6911011	0.26
307.6236572	1.65
309.1904602	0.53
314.0351868	1.33
316.8257141	6.87
317.8292236	5.28
329.8532410	0.29
331.5352783	2.36
332.2038574	3.80
351.3802795	2.64
355.4613342	0.75
359.1472168	1.97
368.9632263	7.67
372.7570496	5.66
373.6969299	3.49
377.3145447	0.49
382.9306335	100.00
384.4703064	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	359.0983
Annotation	PD 169316
Peak:m/z	Relative Intensity
151.1657104	1.04
195.9625244	3.26
227.1937561	1.50
263.1773376	2.96
267.12146	0.76
269.3452148	0.57
275.0447693	2.21
277.0200195	0.70
280.3257751	1.62
287.2626953	4.91
292.9951172	0.70
296.3181763	1.66
297.1022644	0.90
313.1097717	100.00
314.138916	3.49
315.2015381	2.55
317.2164917	2.61
323.0791626	1.56
329.5247498	5.94
341.1921997	6.82
341.8821106	2.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	292.102
Annotation	Sarmentosin epoxide
Peak:m/z	Relative Intensity
228.3381348	0.88
246.0938721	42.73
255.9945679	0.84
273.9934082	100.00
274.7241821	1.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	262.0569
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
94.2426453	0.22
95.9954987	19.92
97.9028015	0.81
100.9852600	0.30
109.8458252	0.12
110.8269958	0.51
115.1044769	0.56
115.9843140	0.56
119.1772003	0.46
126.0807190	0.62
128.0287170	7.18
128.9559784	0.61
134.9633636	0.35
138.0616913	2.83
139.9947052	3.72
142.0088959	59.91
142.9436951	0.10
146.0480804	0.38
155.9543915	3.09
158.0840302	100.00
159.1118317	0.19
170.0061188	0.70
171.9949951	8.71
174.1741486	1.54
175.0803375	0.36
183.2970581	0.20
183.9074860	0.39
187.8216858	1.37
200.0969696	16.07
202.0180206	99.07
213.9963684	0.42
218.0389252	21.85
218.9860229	6.99
226.2680206	0.15
242.7085114	0.24
244.0317230	7.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.96186829	0.30
100.9772263	0.85
107.8855438	5.15
108.9585876	9.01
111.9396286	0.38
113.0541916	0.48
119.0866776	0.21
135.0163727	3.38
144.4503174	0.36
145.2002258	0.81
151.1923828	8.63
151.9984436	35.38
153.0249634	100.00
155.0059814	1.07
158.9666443	0.34
160.7932739	0.90
163.0081787	7.80
164.9855804	17.53
166.975769	0.44
173.0078888	0.10
177.2055969	0.49
179.0951233	2.55
181.0307922	5.61
190.843689	0.69
193.2153473	1.55
194.9302673	5.41
207.2264404	0.43
216.9971008	0.50
219.1433105	2.37
220.3508911	0.29
225.0966187	7.43
232.8664856	0.81
236.7953491	1.11
251.3418579	0.75
263.0997925	0.51
269.0238037	1.13
270.5327148	0.79
271.2295532	2.81
271.9580078	0.19
274.9891968	0.29
279.1137085	1.38
281.4007874	0.47
285.2325134	0.25
287.452179	1.31
297.0457153	2.79
297.7103271	0.34
300.0372314	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	845.7131
Annotation	Unknow
Peak:m/z	Relative Intensity
252.8122559	1.10
326.1256409	1.55
447.3782959	1.08
504.6077271	0.36
528.3115845	0.49
590.7863770	0.22
605.2327271	0.46
698.9537354	0.72
701.0056763	0.84
732.4100952	0.33
747.5672607	2.66
760.6871948	2.19
764.8197021	18.33
770.9285278	1.10
773.2212524	0.38
775.4123535	1.11
779.7182007	1.46
788.3534546	0.59
792.9755249	26.39
793.6450806	11.26
794.2917480	0.17
800.5796509	0.16
807.2952881	0.58
813.7091675	0.22
818.2227783	2.08
821.3599243	0.34
824.0333862	1.54
824.7963257	0.18
827.0612183	0.76
831.8393555	0.13
872.9528809	2.40
883.6310425	0.16
910.8102417	1.26
913.5409546	0.35
944.0520020	1.01
960.8950195	0.71
966.9264526	0.77
975.4611206	0.80
1003.3910520	0.85
1004.0222170	0.20
1019.4441530	100.00
1020.2624510	3.59
1021.6914060	0.13
1023.5976560	0.48
1027.6354980	3.09
1032.1445310	0.29
1057.0085450	38.68
1057.9223630	9.42
1060.0091550	0.22
1064.4696040	0.98
1090.3646240	1.64
1104.7963870	1.31
1142.4555660	0.35
1144.1179200	0.32
1222.7626950	0.22
1226.8962400	0.42
1235.9733890	0.40
1251.5294190	0.34
1361.7753910	0.28
1488.3856200	0.99
1528.2332760	0.90
1528.9074710	0.35
1619.9637450	0.15
1629.9357910	0.15
1633.5482180	0.11
1658.6491700	1.08
1699.1834720	0.25
1702.2574460	0.57
1720.9533690	0.27
1727.1571040	4.42
1729.8741460	0.31
1743.1501460	0.17
1745.3316650	0.12
1752.4035640	0.29
1758.4652100	0.26
1773.1472170	3.67
1776.6976320	0.54
1782.2067870	0.18
1783.6290280	0.17
1784.8590090	0.14
1791.8792720	0.28
1795.0999760	0.58
1805.1634520	0.38
1806.2593990	0.47
1808.0386960	0.20
1809.4522710	1.52
1824.3109130	0.53
1826.2845460	0.36
1828.5821530	0.14
1830.2835690	0.25
1831.5277100	33.66
1833.8728030	0.52
1836.1872560	0.71
1841.2033690	0.48
1848.3293460	1.11
1850.4353030	0.38
1852.3890380	0.15
1853.2484130	0.51
1854.7004390	1.04
1859.3319090	0.27
1861.2496340	0.57
1866.7071530	0.24
1867.7932130	3.49
1868.6180420	2.94
1871.2547610	7.80
1873.8455810	0.31
1874.8961180	0.32
1876.6788330	1.61
1878.6202390	1.05
1885.0573730	0.18
1886.9639890	0.18
1888.7312010	1.49
1889.6182860	0.37
1892.4552000	15.79
1893.1218260	2.00
1896.8096920	0.14
1901.3454590	0.37
1902.1788330	0.20
1904.3289790	0.61
1906.1038820	0.59
1907.8342290	0.57
1909.0240480	9.42
1911.1424560	1.75
1913.6319580	1.12
1914.9178470	4.03
1916.0115970	0.19
1917.1893310	0.20
1918.5313720	0.28
1919.5174560	0.44
1920.5515140	1.85
1923.1507570	1.72
1926.4388430	2.78
1929.2916260	0.26
1930.5072020	0.57
1934.3376460	24.24
1936.3156740	0.30
1937.0675050	0.12
1938.0008540	0.46
1943.5236820	38.71
1944.2593990	0.37
1945.1607670	0.90
1945.9476320	0.66
1951.1647950	2.92
1951.8665770	1.77
1953.5021970	2.45
1954.4659420	5.24
1955.9842530	1.96
1956.9398190	1.72
1958.0975340	6.19
1958.8231200	0.61
1959.7984620	4.38
1960.7735600	0.68
1962.3254390	0.87
1963.8148190	5.83
1966.6564940	1.19
1968.2703860	0.67
1969.3553470	0.35
1970.5740970	0.54
1971.7152100	1.08
1973.1246340	1.19
1974.5516360	0.99
1975.3308110	10.57
1977.6500240	64.22
1978.6446530	9.16
1980.4274900	9.66
1982.4982910	14.00
1984.2335210	5.09
1985.8077390	0.19
1986.4417720	3.31
1987.0759280	1.55
1988.3204350	1.15
1989.7547610	27.99
1991.7386470	0.51
1993.5001220	15.96
1994.5187990	1.02
1995.1242680	1.78
1996.2581790	22.59
1997.0145260	1.05
1997.6390380	2.76
1998.2908940	0.12
1999.0212400	4.32
1999.8883060	2.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	309.0616
Annotation	Mono-trans-p-coumaroylmesotartaric acid
Peak:m/z	Relative Intensity
102.9541473	0.05
114.8051834	0.11
132.9370117	0.40
148.9919128	0.09
174.9710693	0.02
179.2636871	0.03
181.0327759	0.04
182.9610291	0.05
193.0555878	100.00
193.8574371	0.01
218.9290466	0.04
221.1954346	0.02
227.2427673	0.01
237.2327271	0.07
243.1098938	0.02
247.0576477	0.07
249.2679749	0.04
251.1936035	0.03
261.4489746	0.02
263.1188965	0.29
265.1596069	0.14
271.8709106	0.02
273.1019897	0.10
288.8361816	0.09
290.1522217	0.81
291.0402222	0.63
292.8239136	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.91
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9731750	3.01
131.5923462	0.03
159.0798950	0.06
176.9642181	0.04
215.0175629	2.25
232.9963074	6.33
267.1231384	30.53
270.6994324	0.03
285.7916870	0.05
304.4255371	0.19
305.2182617	0.16
316.9686279	0.19
318.0598755	0.37
319.3507385	0.09
339.0031128	0.34
356.1164246	0.22
356.9738159	1.38
367.1569214	0.20
384.9618225	100.00
385.6528320	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.27
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
161.0664368	0.12
165.1633301	0.02
169.0466766	0.08
179.2172852	0.03
185.1061249	0.02
195.1517944	0.02
197.3059387	0.21
198.3781433	0.05
199.2353516	0.06
203.2366486	0.05
204.4494476	0.01
207.1278687	0.01
209.0978088	0.01
211.2827454	0.04
213.0077057	0.11
213.6791992	0.00
215.2354736	6.66
216.3426514	1.13
221.1322632	0.09
225.2382812	0.05
227.2910919	0.32
228.4326935	0.08
229.3128357	0.87
230.3818665	0.11
233.3601990	0.00
235.0914917	0.07
236.0285034	0.01
237.4699554	0.02
239.2253418	0.19
240.2969513	0.06
241.2180176	0.04
245.1750031	0.15
246.1837006	0.01
249.2714386	0.04
251.5153809	0.01
253.0295105	0.02
255.4080048	0.07
257.2572327	0.50
258.0646973	0.03
260.9617004	0.01
263.0368042	0.10
265.2830505	0.03
269.3170776	0.02
270.2970581	0.02
271.6560669	0.02
272.7088623	0.02
277.4424438	0.01
279.3280029	0.03
280.3597412	0.01
281.4385376	0.06
282.7318726	0.06
283.3613281	0.01
284.4374390	0.01
285.3105469	0.02
287.4579468	0.03
299.3352356	0.07
300.5286255	0.01
304.1102600	0.01
305.4373779	0.06
311.3944092	0.02
315.3986816	0.03
319.3588867	0.01
321.3717041	0.07
323.3513184	0.01
329.3875122	0.05
341.4331055	0.28
342.3542480	0.04
348.4853516	0.03
357.4098511	0.02
359.3649902	14.22
360.4835815	3.52
371.3007202	0.02
373.4389038	0.01
377.3760376	100.00
378.3614502	20.95
379.1859741	0.00
381.1121216	0.03
383.5119019	0.09
389.4612427	0.02
391.3581543	0.44
392.4539795	0.06
398.5704956	0.01
401.3218994	1.98
402.4787598	0.37
413.3378906	0.06
415.0787354	0.02
416.2349243	0.01
417.5534058	0.02
419.4215698	0.48
420.3793335	0.11
425.4446411	0.04
426.4789429	0.01
431.4720459	0.17
432.5647583	0.12
433.5180054	0.03
443.4082031	0.03
444.6592407	0.01
447.4074707	0.09
451.4044800	0.02
458.5556030	0.02
460.6936035	0.01
461.3232422	0.07
468.5146484	0.02
473.4158325	0.10
479.7377319	0.03
480.3903198	0.07
485.6822510	0.03
491.5619507	0.07
492.6243286	0.07
493.5073853	0.02
496.6025391	0.01
503.3974609	0.94
504.6192627	0.18
521.3952637	43.02
522.4185181	12.06
523.3677368	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
135.2651367	0.30
135.9265747	0.05
142.9755554	0.05
147.2675934	0.11
149.1078796	0.22
161.0709229	0.13
163.1919556	0.20
164.2840271	0.34
169.1871338	0.12
171.3290405	0.18
173.1775513	0.12
178.8891907	0.51
189.2027435	3.21
189.9720764	0.53
191.2789917	0.05
204.1303406	0.13
207.1332855	8.25
208.1383667	1.06
209.3043060	0.16
230.8364868	0.07
233.1328735	1.61
234.1661377	0.40
251.1708374	100.00
252.2595215	13.84
258.2309265	0.18
264.2010803	0.17
269.0673218	1.99
270.3275757	0.37
285.9637146	0.09
287.2961426	0.10
289.0673218	0.04
295.2432251	0.16
299.2830200	0.07
304.1846924	0.06
319.4692078	0.13
328.2081604	0.10
337.0379028	0.11
340.0531006	0.05
346.1133728	0.13
348.1394653	0.06
352.9811096	0.11
358.3010559	0.07
366.1560974	0.21
371.2383118	0.17
373.3118896	0.07
385.1675720	0.23
386.1471252	0.54
387.2468567	0.41
388.3580322	0.09
389.1707764	0.14
394.0880432	0.49
395.9103699	0.99
396.5733337	0.16
397.2694397	0.10
401.4984131	0.14
413.2899475	0.84
414.3194580	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
108.1282196	0.01
110.985878	0.02
126.9392395	0.08
133.0594482	0.06
134.2565613	0.02
134.9837799	0.48
149.1352539	0.02
151.563446	0.02
154.9399414	0.09
160.4085388	0.04
161.0430908	0.35
173.0505981	0.74
179.0861511	3.60
184.9792328	0.03
186.205658	0.01
189.1416931	0.02
191.0350647	100.00
194.1504822	0.03
215.0971985	0.03
218.9685364	0.07
220.088623	0.02
232.0099487	0.02
241.1228333	0.03
260.8770142	0.01
262.7802734	0.02
272.3339844	0.02
281.1621094	0.06
305.9746399	0.03
307.2735596	0.20
308.48703	0.04
309.2276001	0.14
315.2187195	0.05
315.9056702	0.05
316.9810791	0.05
323.2228394	0.03
326.4255371	0.01
334.2670898	0.08
335.1000671	0.04
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
128.8644409	6.33
169.0834351	0.04
212.3652039	0.82
212.9687500	5.38
218.8048096	0.08
261.4158325	0.05
268.0771484	0.59
269.4152222	0.27
270.1781616	0.65
271.3450928	0.18
275.1043091	0.13
290.8258667	0.14
295.2015686	0.38
296.8475647	100.00
308.5341187	0.10
337.4760437	0.18
352.1199646	0.37
353.4764099	0.18
361.2962341	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	651.305
Annotation	Thalidasine
Peak:m/z	Relative Intensity
254.1196594	0.05
267.3079224	0.03
312.2072449	0.03
323.0962524	0.06
327.3070068	0.07
345.0831909	0.05
365.0979614	0.03
366.9594727	0.05
417.0947876	0.08
423.4015503	0.05
427.4149780	0.03
459.0950317	0.02
463.3945312	0.03
468.6616821	0.07
471.4310913	0.05
482.7026367	0.04
487.6474609	0.03
526.1997681	0.10
529.1276855	0.06
535.7254028	0.07
593.4548950	0.34
594.1998901	0.11
605.4567261	34.87
606.6849365	0.04
607.6414185	0.16
613.2107544	0.06
615.6547241	0.08
621.1194458	0.11
628.3049927	100.00
629.0040283	2.06
630.0798340	0.08
631.3556519	0.11
633.4019775	0.36
634.7540894	0.08
641.7836914	0.16
643.7968750	0.04
694.4987183	0.04
757.8547363	0.10
885.6431274	0.08
903.6378784	0.30
1049.4472660	0.08
1210.3631590	0.05
1211.7054440	1.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	709.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
225.0640259	0.11
233.8598328	0.20
253.8307800	0.09
262.1183777	0.05
288.3052063	0.05
292.0961609	0.04
300.9698486	0.03
304.0049133	0.08
306.3594055	0.15
338.0595703	0.35
339.3191528	0.11
365.8418579	0.29
366.5028076	0.12
377.0649414	0.10
407.2412109	0.16
427.0275879	0.05
466.1286621	0.18
482.2766113	2.31
487.0109253	0.02
499.2012329	0.06
529.1561279	0.03
534.1187744	0.02
550.2467651	0.04
560.9598999	0.06
562.1065063	0.18
565.9418335	0.07
576.6806030	0.23
580.2055664	1.25
592.5288086	0.04
593.3550415	0.60
603.1303101	0.15
606.9768677	0.05
611.2268677	100.00
611.8426514	0.40
618.9207153	0.18
643.4806519	0.11
645.2560425	0.04
646.0668335	0.03
662.5690918	0.08
663.4741211	0.12
670.3248291	0.06
671.8607178	0.04
673.0037231	0.03
691.1799316	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	393.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9754791	1.03
119.1407318	0.04
124.1327896	0.02
125.1595001	0.16
129.0704651	0.33
141.1532288	0.06
143.0661621	1.19
144.1533203	0.12
148.7079163	0.04
153.0942230	0.03
159.0487061	1.68
161.0790710	12.28
162.0021210	0.63
171.1597900	0.12
172.1746826	0.02
174.9791870	0.03
177.9358826	0.06
188.2135468	0.02
193.2090759	0.02
195.0698853	0.04
212.3347168	0.03
213.4238281	0.03
214.5928192	0.05
231.1304932	0.48
232.3301086	0.05
246.0619507	0.02
261.1381531	0.03
270.8616333	0.14
273.5822754	0.04
285.3254089	0.07
286.2508545	0.10
292.0594482	0.06
293.4458923	0.04
304.2313843	0.12
305.1326294	0.05
313.1631470	0.13
313.9999084	0.20
315.6276855	0.27
316.4672852	0.04
330.7031860	0.12
331.3158875	0.75
333.2635498	37.57
334.3767395	5.47
335.2187500	0.15
336.3461914	0.04
347.3858643	0.15
348.2083740	0.05
352.0603638	0.04
356.2417908	0.08
357.4049072	1.41
358.3807983	0.60
373.6139832	0.02
375.3091431	100.00
376.2763977	20.86
376.9593811	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
91.01737976	0.33
93.08876038	0.93
94.76494598	0.83
97.05482483	0.58
108.8775864	1.48
110.9938889	0.94
120.6073608	0.99
122.6676941	1.23
125.2856979	0.44
132.9176331	1.85
135.0387878	2.63
139.0323334	0.81
153.2353363	1.69
154.8621521	0.40
157.1602783	2.56
165.1945343	0.85
171.036972	1.45
179.176239	0.58
183.1221008	1.13
184.9766388	3.32
187.5379181	2.56
195.2043304	0.88
197.1385651	5.28
200.819519	1.13
203.3320923	0.71
210.9722595	0.88
215.6253052	1.13
218.9206543	2.63
221.231842	1.75
225.2919922	0.54
233.1997375	0.47
237.31427	1.03
239.1614075	11.28
242.7576294	4.62
243.4906616	1.41
249.9672852	0.63
251.2616272	4.62
253.0335693	1.08
254.8196411	0.65
257.2750854	2.54
261.1990051	6.48
261.8754578	1.13
269.1308594	0.44
274.1768799	1.07
279.2394409	100.00
279.9626465	0.33
287.8291626	0.51
288.9789124	3.60
297.7290649	2.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.125
Annotation	Unknow
Peak:m/z	Relative Intensity
161.1161346	0.72
180.9750061	0.79
181.8028717	0.35
231.0972290	3.95
237.3493652	0.20
261.2709045	0.22
262.9778748	0.40
270.4385376	0.16
288.1753540	0.20
306.0863647	15.82
314.3847656	0.17
315.1547852	1.36
317.2050171	6.67
329.3402100	0.23
334.1691895	100.00
374.1257935	0.79
381.0568237	0.18
391.3696899	0.91
409.2293701	83.04
418.4920044	0.31
445.3052368	0.35
463.5484619	0.26
475.2787476	0.20
493.3820801	0.40
520.2604370	8.23
521.3071289	1.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
94.78030396	1.65
115.2130127	0.31
126.9710236	1.05
129.0282745	0.84
141.1584167	2.93
155.9649963	0.60
169.1332703	0.44
170.1506348	1.22
172.218338	1.89
174.6594086	2.12
180.9218445	0.44
183.0116119	32.26
184.1312256	4.75
195.3863373	0.61
197.0666656	7.91
198.1670685	2.16
199.1579742	2.13
206.9377747	1.36
211.9567261	3.91
213.351593	3.42
223.1244202	3.18
223.8209229	1.35
225.2665405	3.33
226.0069885	1.50
227.1094666	1.70
228.1424866	1.76
231.3813782	0.70
237.3629456	0.95
238.2952881	0.43
239.4675293	2.32
241.454895	1.78
243.3669128	2.43
247.3277893	1.06
249.2327881	19.39
251.3607178	1.23
253.3941345	5.44
265.1311035	5.41
267.321228	26.96
269.4082031	2.63
274.2235107	0.61
275.0493164	2.36
283.5292053	0.82
291.1599731	1.99
293.2205811	100.00
294.223114	1.34
311.4812622	0.41
312.1293335	1.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
95.14929199	0.93
96.93399048	1.62
102.7644196	0.29
109.0132599	1.53
111.0480347	2.36
112.7205505	0.88
123.2044983	2.59
126.9990158	0.57
130.8757782	0.55
137.1809082	0.51
139.1133423	2.78
143.035675	0.26
147.2119446	0.39
149.0970459	0.29
151.2176361	1.66
153.0605164	1.71
156.9712524	0.47
165.1694336	1.18
167.153717	1.27
169.0656433	2.00
178.9969635	1.43
181.31073	0.97
183.2926178	2.58
187.1599121	0.63
193.1614227	0.92
195.0650635	0.99
197.0592957	6.45
203.2269897	0.66
209.1018677	1.14
211.1279297	3.84
213.0010681	1.75
219.377533	1.37
221.1573486	1.56
225.1137695	2.14
233.3829041	2.80
237.4625549	2.16
239.0980225	13.35
242.9167175	0.65
251.3639526	3.89
253.0983887	3.49
254.7713623	1.65
257.2863159	1.78
261.223877	4.81
268.1265869	0.73
279.2260437	100.00
279.8734741	0.75
281.0378723	0.34
296.4660645	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2416
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
93.06234741	0.29
95.00597382	1.42
95.86352539	0.26
96.98448181	0.18
97.89787292	0.10
103.2372437	0.24
108.9349518	1.64
111.1011658	0.54
112.8716049	0.21
117.1185455	0.32
121.1284561	0.70
123.0664673	1.82
124.2679901	0.20
125.1392059	0.45
127.1211395	0.41
131.0488586	0.41
132.9825439	1.09
136.7548218	0.33
138.9616852	0.75
140.8240356	0.11
143.03862	0.91
148.5688171	0.19
149.3154907	0.34
150.9230804	0.65
152.9574585	0.86
154.2284241	0.53
155.0342102	0.51
157.1781464	0.31
163.0388947	0.44
164.9069824	0.35
167.3213043	0.14
168.9166718	1.87
171.1309509	0.95
173.4091949	0.23
175.0271149	0.20
177.2754059	0.61
181.037735	1.04
183.0601501	1.57
185.0857239	1.06
187.4739838	0.45
189.0681152	0.43
193.2314301	0.88
194.988205	1.19
197.1144409	4.49
199.0719604	0.85
201.2469788	1.08
203.0943298	0.46
205.5681152	0.88
207.2305908	0.86
208.9507141	1.24
210.9815369	1.08
213.2650757	0.14
214.052948	0.10
215.2687073	0.26
219.1101379	0.94
221.2370911	3.23
222.0431824	0.37
223.1851807	1.03
225.0360107	0.93
226.24646	0.14
227.3543091	0.34
233.3025818	2.87
235.1386414	0.20
237.1712646	3.55
239.1981812	11.34
241.3599243	0.50
243.3201904	1.00
245.1277466	0.50
249.3986206	0.32
251.1394043	2.90
252.1403809	0.39
253.1750488	1.23
255.2684326	3.34
255.9829407	1.06
257.1803589	1.16
261.3424072	5.61
262.34198	0.41
265.3261719	0.13
266.7779541	1.47
268.2053223	1.15
269.1555786	0.50
275.90448	1.08
277.604126	1.14
279.2401733	100.00
280.1920166	0.66
281.0298462	0.89
282.0556641	0.47
286.9291382	0.64
288.101593	1.14
289.616333	1.06
293.2327881	0.30
296.7137451	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	867.35
Annotation	Unknow
Peak:m/z	Relative Intensity
240.1374512	0.10
261.6835327	0.22
285.3733521	0.64
306.0879211	0.12
310.8035278	0.15
324.1114502	0.09
335.0375977	0.18
370.8412476	0.15
373.3623962	0.98
377.3692322	0.68
448.2319946	0.23
491.0188599	0.19
523.3664551	1.50
545.2932739	0.36
563.3975830	11.26
564.3944702	1.33
565.1702881	0.22
568.2196045	0.25
581.6560059	0.18
655.5442505	0.21
660.4728394	0.37
661.5618896	0.34
761.9774780	0.57
763.3977661	0.15
787.5532837	0.23
794.5027466	1.51
812.4234619	2.21
815.7964478	2.77
816.4441528	0.31
819.9754028	1.79
821.3842773	2.38
825.6500244	0.38
832.3328247	2.41
833.3610840	1.35
834.1847534	1.35
835.7007446	12.53
837.4846191	3.48
839.7750244	0.13
841.1015015	7.42
842.0403442	2.44
842.7278442	0.26
843.6100464	1.87
845.8243408	7.67
847.7750244	1.11
849.0844116	6.33
851.2119141	0.52
852.3491211	5.71
853.1710815	3.09
854.6425781	0.23
855.5148315	0.81
858.7085571	1.88
878.9619141	1.00
881.5704956	0.27
882.2833252	0.37
884.7435913	0.87
895.6909180	0.96
906.1602173	1.13
910.5191040	2.67
911.3244019	2.38
920.5849609	1.24
921.2557983	0.52
925.1954956	6.66
934.1771851	0.97
935.1636353	3.80
936.6594238	1.15
939.3236694	10.23
940.0195312	1.33
943.7861328	47.73
945.1621704	1.78
946.0763550	0.40
947.3134766	6.80
951.9613647	0.56
954.0066528	0.40
955.7749023	0.35
956.9519043	1.75
957.5900269	2.13
961.5543823	2.20
963.2330933	0.23
980.7924194	0.68
983.1581421	1.32
990.0884399	1.20
991.2988892	0.65
996.0104980	1.37
1000.1643070	1.52
1003.8188480	1.29
1004.9541020	0.83
1006.0583500	1.76
1008.9171750	1.38
1010.5050660	0.57
1013.0645140	1.93
1014.5529170	2.69
1019.6193240	2.45
1021.7394410	5.07
1022.6838990	0.77
1023.5663450	1.06
1024.4571530	7.46
1026.4091800	28.35
1027.4978030	3.60
1031.0947270	0.78
1031.7756350	1.59
1033.7343750	3.04
1035.2382810	1.18
1036.5992430	1.13
1038.2576900	1.66
1040.0128170	2.29
1041.0920410	1.61
1042.3934330	7.07
1044.2740480	7.49
1045.3250730	0.16
1046.9812010	18.72
1047.9113770	0.27
1049.2670900	1.80
1051.2573240	100.00
1052.2666020	4.05
1053.2253420	1.33
1058.6763920	0.63
1061.2784420	0.92
1065.7288820	10.88
1070.0786130	1.17
1088.9803470	1.61
1105.1297610	1.00
1109.0539550	1.36
1110.6406250	2.57
1114.8305660	1.12
1120.7360840	0.14
1126.7841800	0.15
1138.7502440	1.20
1143.6291500	0.27
1144.4208980	1.76
1151.6484380	0.39
1155.8232420	0.89
1162.6779790	1.60
1163.2880860	1.43
1164.7556150	1.09
1165.7436520	0.16
1167.0793460	1.12
1174.5700680	1.66
1178.8349610	0.22
1180.5223390	2.67
1181.5771480	3.67
1185.0158690	1.68
1187.5386960	6.49
1188.4492190	1.30
1197.9021000	0.56
1204.2950440	1.22
1208.4620360	2.39
1213.7313230	14.88
1215.5526120	0.27
1218.0126950	1.39
1219.9711910	1.69
1221.6984860	1.39
1243.0000000	2.74
1247.2618410	1.32
1252.0865480	0.72
1253.9305420	0.17
1271.4366460	1.03
1273.6224370	0.50
1292.8410640	0.13
1303.2254640	0.60
1306.3865970	1.30
1320.9479980	0.19
1358.2830810	1.88
1368.1343990	1.77
1368.7403560	1.27
1396.8706050	0.51
1480.3204350	0.31
1501.3402100	0.67
1548.6619870	0.33
1559.8476560	0.74
1580.2143550	0.72
1584.2142330	0.44
1620.9700930	0.70
1642.7491460	0.71
1650.5482180	0.06
1654.3997800	0.10
1706.6534420	1.19
1709.4981690	0.12
1719.6090090	0.12
1731.9146730	0.13
1733.3529050	0.14
1735.3724370	0.17
1742.7462160	0.20
1746.5157470	0.52
1748.8752440	0.16
1767.2269290	0.55
1782.7482910	0.16
1790.5559080	0.64
1792.3488770	0.33
1799.5321040	0.82
1804.0729980	0.69
1806.0163570	0.14
1807.4234620	0.32
1810.2033690	0.45
1814.9093020	0.38
1815.6971440	0.41
1829.8729250	0.50
1836.8601070	2.65
1842.9841310	14.00
1849.5889890	0.21
1855.6390380	2.08
1858.9245610	0.11
1859.9445800	0.11
1864.0084230	0.16
1868.9569090	2.12
1875.2720950	0.13
1876.8375240	7.85
1877.9884030	7.17
1879.3995360	0.20
1880.0983890	2.34
1884.6253660	0.81
1887.3563230	2.79
1894.4766850	1.85
1895.4519040	0.34
1896.3361820	1.15
1898.0594480	0.71
1898.8052980	2.60
1903.9246830	0.78
1905.4791260	0.38
1906.3768310	0.31
1910.4544680	3.15
1912.7957760	0.22
1914.4715580	0.44
1916.2425540	0.46
1919.0197750	1.71
1920.1575930	0.47
1921.9284670	0.49
1924.3771970	0.45
1926.2723390	0.81
1928.0108640	4.15
1929.1442870	0.67
1929.7736820	1.30
1931.9626460	0.62
1933.0896000	8.79
1934.5543210	1.56
1937.0155030	0.89
1937.9918210	0.50
1939.1309810	0.63
1940.8814700	0.10
1942.8731690	0.55
1945.5880130	2.04
1947.7064210	0.11
1948.3790280	0.29
1949.8532710	0.27
1950.5926510	0.28
1952.7452390	0.96
1954.9307860	1.93
1956.4805910	1.19
1959.7562260	0.88
1961.8718260	4.38
1962.8016360	4.62
1963.6536870	1.41
1964.4473880	0.09
1965.5826420	5.29
1966.6063230	1.24
1968.8723140	2.77
1970.1300050	0.49
1970.9108890	0.56
1972.3122560	1.11
1973.4405520	0.78
1974.3543700	0.24
1975.0495610	1.69
1975.9461670	0.08
1978.4019780	27.35
1979.2541500	1.03
1980.2916260	10.34
1981.4136960	0.45
1982.8607180	5.94
1984.4400630	0.17
1985.4014890	2.22
1986.3577880	7.43
1987.3732910	0.85
1988.0061040	2.10
1988.8630370	2.69
1990.5026860	1.23
1991.1217040	0.62
1992.1036380	1.36
1993.5095210	0.98
1995.2950440	14.31
1996.8480220	1.12
1997.9061280	3.19
1999.7253420	2.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1410.24
Annotation	Unknow
Peak:m/z	Relative Intensity
437.3839722	0.17
486.4122009	0.25
518.3953857	0.10
530.0637817	0.19
560.1993408	0.15
560.9942017	0.40
567.9520874	0.08
574.5117188	0.78
576.4783936	0.24
578.4639893	0.36
579.2741699	0.13
584.2265625	0.13
609.9633789	0.53
612.4750977	1.31
617.1318359	0.10
625.2545166	0.16
627.0828857	0.52
630.4478149	0.15
642.6566162	0.06
644.3275146	0.30
652.4421387	0.25
659.3032227	0.12
662.5262451	0.09
663.5699463	0.08
667.4145508	0.47
669.2029419	0.18
671.3690186	0.08
688.3660889	0.28
689.4975586	0.15
691.3232422	0.09
694.2684937	0.17
705.4112549	1.17
706.4304199	0.15
713.5877686	0.63
714.7598877	0.23
723.5438232	0.25
731.6583862	0.12
738.6123047	0.27
741.3822632	0.12
747.1984253	0.20
749.5015869	1.11
750.2056885	0.15
752.3233643	0.16
768.5914307	0.32
782.3435059	0.56
784.2723389	0.18
797.6859131	0.19
802.2777100	0.56
806.1847534	0.44
808.1076660	0.14
833.5570679	0.22
836.4066162	0.41
849.0323486	0.09
858.0021973	0.16
859.5509033	0.23
860.8214111	0.43
877.1370850	0.14
882.3012695	0.17
884.4653320	0.09
893.3366699	0.10
899.0626221	0.08
900.9082031	0.73
908.4500732	0.11
909.6340332	0.18
912.8807373	0.44
922.3471680	0.37
923.6636963	0.48
924.6418457	0.15
925.3371582	0.50
927.9329834	0.15
934.1551514	0.55
936.5175781	0.19
938.9805908	0.31
940.5189209	0.17
942.3557129	1.22
944.1384277	0.09
946.0177002	0.32
947.5391846	0.19
950.6440430	1.24
951.6517334	0.72
953.2429199	0.70
956.3551025	0.33
957.7027588	0.42
958.9879150	0.87
960.0438232	0.99
963.1328125	0.49
966.0859375	6.74
966.9240723	2.39
968.2595215	1.82
969.2036133	0.12
980.9984131	8.39
981.7951660	7.56
986.2797852	0.19
987.4385986	0.43
988.7158203	0.16
997.1724854	1.84
997.7744141	0.49
998.5318604	0.75
1002.3098140	0.16
1004.2153320	0.73
1011.0905760	0.15
1011.9677730	0.41
1016.6999510	0.13
1022.3596190	0.47
1024.5808110	0.76
1026.4923100	0.15
1032.4880370	0.12
1034.1754150	0.69
1035.7812500	0.29
1037.1894530	0.30
1038.0902100	0.32
1039.0468750	0.72
1041.4041750	0.35
1042.3858640	0.35
1044.1911620	0.94
1049.4794920	0.14
1051.7629390	1.34
1052.5363770	0.60
1054.5664060	0.32
1055.4035640	0.76
1056.7094730	0.48
1057.4750980	0.15
1058.5721440	0.07
1064.6669920	0.40
1066.4411620	0.63
1068.2938230	1.35
1069.5892330	1.20
1070.2370610	0.08
1072.9876710	0.31
1074.3090820	0.17
1075.3032230	0.15
1076.0241700	0.54
1078.6228030	0.97
1080.7434080	0.36
1082.6757810	0.89
1083.5111080	0.12
1084.7475590	1.98
1088.4296880	0.18
1090.6225590	0.45
1092.0222170	0.09
1094.0175780	0.28
1095.3414310	0.46
1096.6105960	0.22
1097.7584230	1.58
1098.4311520	0.05
1099.0473630	0.37
1099.7587890	1.62
1100.6290280	3.02
1101.4899900	1.53
1102.5058590	0.78
1105.8173830	0.08
1107.3476560	0.92
1110.8608400	0.16
1116.4553220	1.00
1117.7019040	0.97
1120.2595210	0.62
1123.2747800	0.09
1124.1850590	0.68
1127.2672120	0.84
1131.4632570	0.31
1132.4523930	4.07
1133.1212160	1.76
1135.3353270	0.11
1137.9938960	0.28
1139.5104980	0.17
1141.1174320	0.51
1142.3522950	1.30
1146.5510250	0.38
1147.2772220	1.07
1149.0410160	0.17
1149.7802730	0.15
1151.2839360	0.73
1157.0092770	2.50
1157.7030030	0.51
1158.7446290	0.22
1159.4870610	0.14
1161.5335690	0.59
1162.7690430	0.56
1164.3693850	0.10
1165.5668950	1.18
1166.6960450	1.09
1169.0051270	0.90
1169.8945310	0.15
1172.0617680	2.01
1172.7480470	0.24
1174.2729490	0.45
1175.8736570	0.38
1178.0781250	0.97
1178.9204100	0.44
1180.5787350	0.14
1181.6164550	0.76
1182.5122070	1.37
1183.3597410	0.11
1185.3652340	0.32
1186.0333250	0.52
1189.4852290	0.15
1195.2001950	1.48
1196.7219240	0.22
1197.6352540	0.64
1198.6488040	0.73
1200.8468020	0.20
1203.5261230	0.42
1205.9890140	0.33
1209.6791990	1.20
1210.9003910	0.09
1211.5222170	0.27
1212.4291990	1.00
1213.6796880	0.68
1215.6062010	0.95
1217.5600590	0.11
1220.0051270	0.52
1221.2205810	1.21
1223.5135500	1.31
1225.1524660	0.88
1225.8510740	1.10
1227.1984860	0.52
1228.2785640	1.24
1229.0131840	0.38
1230.0633540	0.51
1231.3898930	0.26
1232.7023930	0.69
1233.6368410	0.52
1234.7285160	1.61
1235.9639890	2.27
1236.8791500	1.41
1238.1628420	4.46
1238.7951660	0.29
1240.6221920	0.11
1241.6700440	0.85
1243.8723140	0.86
1244.5975340	1.22
1245.4667970	1.43
1246.7844240	2.14
1247.8757320	0.65
1249.6968990	5.89
1250.5030520	0.90
1251.3745120	1.35
1252.7006840	1.44
1254.9052730	1.81
1255.6925050	1.72
1256.3177490	0.09
1260.1047360	1.75
1260.8782960	1.76
1261.5637210	2.21
1262.4023440	0.69
1263.3509520	2.70
1264.8171390	1.09
1266.1997070	1.23
1267.0671390	1.63
1268.1348880	1.84
1270.1728520	2.46
1271.0537110	3.72
1271.8692630	2.83
1272.5428470	0.40
1273.5109860	0.52
1274.8044430	1.50
1275.7087400	4.94
1276.6982420	1.22
1277.9760740	5.38
1278.7644040	2.33
1281.5373540	7.37
1282.7661130	4.04
1283.5249020	1.86
1284.1582030	2.11
1285.2902830	1.76
1286.3149410	2.47
1287.1589360	0.67
1288.0666500	1.38
1289.2550050	1.11
1291.0472410	0.71
1292.0993650	3.88
1292.9030760	7.59
1293.9123540	0.82
1297.4191890	5.46
1298.2530520	1.80
1298.9176030	0.61
1300.8330080	0.27
1301.8569340	0.40
1303.1938480	1.08
1304.1368410	2.17
1304.7485350	0.40
1306.7416990	0.11
1307.6979980	0.64
1309.0386960	1.26
1312.1398930	1.35
1313.9302980	2.89
1314.8063960	1.00
1315.6330570	0.84
1318.8176270	0.90
1319.6221920	1.76
1324.3747560	1.37
1325.9968260	0.46
1326.7390140	0.50
1327.5561520	0.46
1329.1777340	1.00
1330.1943360	1.63
1331.1087650	4.69
1331.7906490	3.37
1332.8208010	1.32
1334.1611330	1.27
1334.8032230	2.74
1335.6779790	1.04
1336.4769290	0.25
1337.2153320	0.43
1337.9276120	1.70
1339.0412600	1.96
1339.8515620	2.31
1341.5336910	8.91
1342.4359130	0.51
1343.5122070	1.10
1344.5772710	3.75
1345.3269040	5.33
1346.3760990	6.02
1347.3638920	3.38
1348.7153320	4.15
1349.6636960	1.64
1350.4953610	6.69
1352.0164790	5.79
1352.9881590	6.17
1353.7741700	3.22
1355.0560300	7.60
1355.7924800	4.99
1356.6046140	17.47
1357.3989260	3.05
1358.1660160	5.64
1359.1093750	6.95
1360.4274900	15.97
1361.3244630	7.89
1362.2299800	2.43
1362.9860840	8.05
1364.2849120	4.41
1365.1318360	4.14
1366.3665770	22.78
1367.6137700	34.35
1368.4877930	6.22
1369.7104490	8.24
1370.6120610	10.64
1371.3918460	41.08
1372.4207760	14.42
1373.5639650	13.21
1374.6138920	7.87
1375.5859380	13.88
1376.6813960	12.66
1377.5446780	41.05
1378.3066410	16.59
1379.1763920	17.53
1380.7937010	50.37
1381.7780760	50.61
1382.5285640	43.85
1383.6816410	28.86
1385.0212400	6.95
1386.4445800	15.86
1387.1744380	9.14
1387.9387210	32.06
1388.8497310	100.00
1389.9490970	3.32
1391.3603520	3.95
1392.4248050	41.75
1393.2644040	5.75
1393.9438480	19.77
1395.1126710	15.41
1397.1879880	0.33
1402.7174070	0.07
1414.4603270	0.42
1420.7132570	0.94
1422.4962160	0.57
1424.2863770	0.16
1429.3609620	0.82
1430.4349370	0.26
1431.5753170	0.56
1434.2434080	1.26
1436.1673580	0.44
1436.8402100	0.16
1438.1636960	0.18
1440.9288330	0.44
1442.7961430	0.50
1443.8928220	0.29
1446.0260010	0.09
1447.2598880	0.55
1447.8861080	0.44
1451.0505370	0.68
1452.3597410	1.23
1453.9748540	1.47
1454.8409420	0.11
1455.5452880	0.57
1458.6843260	0.23
1459.3901370	2.12
1460.4114990	1.71
1461.1824950	1.62
1462.5081790	0.43
1463.5616460	0.09
1464.3383790	0.09
1465.8868410	0.82
1467.7264400	0.18
1468.9776610	1.62
1469.6021730	0.62
1472.9107670	1.25
1473.9783940	1.04
1474.8615720	0.67
1475.5905760	1.04
1476.5502930	1.40
1477.4644780	0.11
1478.7648930	0.34
1480.0946040	0.83
1481.9205320	0.54
1483.8966060	0.63
1484.5010990	1.45
1485.4383540	3.23
1489.0584720	1.15
1489.9704590	1.04
1491.2810060	1.67
1492.8911130	0.37
1494.3044430	1.30
1495.2312010	0.42
1497.7843020	0.41
1498.8016360	0.30
1500.0770260	2.82
1501.2181400	2.81
1502.1776120	0.56
1505.1951900	1.24
1506.1898190	1.64
1507.0406490	5.04
1508.0941160	2.39
1511.2473140	0.38
1513.1014400	0.24
1515.1236570	1.40
1515.9420170	1.07
1516.8250730	2.33
1518.3841550	0.12
1520.0709230	0.28
1520.7868650	0.30
1522.0631100	2.01
1522.8763430	2.35
1523.6102290	2.88
1524.3243410	0.39
1528.8736570	0.80
1530.6853030	0.15
1531.3891600	0.26
1532.9246830	0.97
1533.7144780	0.55
1534.8565670	0.18
1535.9583740	0.12
1536.9134520	0.08
1538.0336910	3.60
1539.0709230	4.19
1539.9029540	4.17
1540.7401120	0.80
1541.9031980	0.41
1546.0694580	0.95
1547.7181400	0.10
1554.0438230	0.39
1555.1341550	5.98
1556.0181880	0.52
1562.2432860	0.82
1563.5754390	0.68
1564.2160640	0.21
1571.5914310	0.66
1581.5565190	0.11
1584.3247070	0.32
1593.5267330	0.36
1598.3220210	0.24
1599.9952390	0.55
1607.8537600	0.25
1608.9351810	0.56
1626.9809570	0.08
1631.9846190	0.67
1633.1186520	0.90
1636.8919680	0.34
1642.4127200	0.39
1643.7460940	0.79
1647.6910400	0.67
1649.2017820	1.28
1655.3931880	0.19
1657.8292240	0.26
1665.2186280	0.43
1669.7984620	0.17
1671.7148440	0.71
1676.1138920	0.67
1681.5758060	0.39
1690.9576420	0.36
1694.7617190	0.18
1695.9080810	0.38
1706.1239010	0.65
1707.9255370	0.30
1708.9566650	0.18
1712.7381590	1.51
1714.6524660	0.67
1716.6116940	0.36
1721.6126710	0.82
1722.7862550	0.45
1725.1617430	0.34
1726.1298830	0.49
1728.1861570	1.23
1729.0555420	0.98
1731.4599610	0.55
1732.4818120	1.03
1734.1925050	0.86
1735.2930910	0.23
1737.6855470	0.43
1739.4967040	0.75
1743.8511960	0.90
1746.9084470	1.05
1747.8594970	0.70
1748.9573970	1.46
1749.8165280	0.49
1751.3258060	0.16
1752.7199710	0.65
1753.5142820	0.28
1754.4519040	0.86
1755.8853760	0.22
1756.8703610	0.14
1759.0853270	0.71
1760.0924070	1.20
1761.3869630	1.27
1763.3845210	0.96
1766.4881590	0.50
1768.4650880	0.43
1769.6345210	0.53
1770.6722410	0.52
1771.9021000	0.12
1774.0740970	0.12
1775.5845950	0.75
1776.3067630	0.51
1777.4188230	0.36
1778.4495850	0.25
1780.3161620	0.57
1781.4422610	0.17
1782.6859130	0.64
1783.6267090	0.46
1784.3908690	0.70
1785.8763430	0.54
1787.0861820	0.13
1790.8975830	0.42
1792.1130370	2.59
1792.9398190	0.94
1793.5734860	0.12
1799.3966060	1.09
1803.5189210	0.16
1806.2913820	0.18
1808.7331540	2.05
1811.8063960	0.25
1814.3400880	0.19
1830.8059080	0.56
1831.4561770	0.59
1833.7337650	0.19
1834.3356930	0.10
1835.5430910	0.15
1837.0075680	0.33
1837.9156490	0.24
1844.0251460	0.08
1845.5494380	0.18
1848.3011470	0.19
1848.9722900	0.57
1849.9899900	0.09
1858.5827640	0.62
1861.0388180	0.41
1862.9709470	0.19
1864.0104980	0.08
1866.0329590	0.45
1866.8387450	0.49
1867.6888430	0.84
1870.0570070	0.41
1871.5832520	0.11
1873.6402590	0.37
1874.8674320	0.09
1875.5325930	1.11
1876.6273190	2.34
1877.6458740	0.65
1878.8948970	0.15
1880.6804200	0.78
1881.3577880	1.66
1882.5189210	0.35
1883.6555180	0.41
1884.8000490	0.39
1885.7850340	0.82
1887.4627690	1.40
1888.4407960	1.12
1889.2176510	0.28
1889.9942630	0.09
1890.5948490	1.29
1891.5128170	1.22
1892.5147710	1.21
1893.4351810	1.53
1896.2469480	0.29
1898.5827640	0.54
1899.2790530	1.89
1902.6027830	0.52
1904.1774900	0.99
1905.4230960	1.00
1906.6824950	2.65
1907.7520750	1.41
1908.4234620	1.72
1909.2935790	0.35
1910.2232670	0.09
1911.3406980	18.49
1912.4429930	1.61
1913.2352290	1.65
1914.8023680	0.71
1915.9650880	1.09
1917.0489500	1.59
1918.7619630	1.93
1921.5902100	1.50
1922.9530030	2.00
1924.0384520	1.48
1925.6248780	0.23
1929.1241460	2.68
1930.1613770	1.31
1931.2452390	1.57
1932.1188960	0.11
1933.0880130	0.57
1933.8179930	0.68
1935.6036380	0.90
1937.1812740	2.58
1938.3933110	4.42
1939.7625730	3.01
1942.0936280	0.14
1946.7374270	3.98
1947.7160640	0.73
1956.0731200	0.80
1956.9114990	1.04
1960.5977780	0.31
1961.2351070	0.35
1962.0487060	0.10
1962.9504390	3.21
1963.5833740	1.41
1964.1853030	0.96
1965.0582280	1.81
1966.9520260	0.48
1969.1392820	0.17
1969.8205570	0.07
1970.5354000	0.35
1980.5880130	0.07
1993.2932130	0.08
1994.5119630	0.74
1995.2097170	0.33
1996.0124510	1.02
1996.7452390	0.18
1997.5738530	0.39
1999.8052980	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	554.96
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0251465	0.27
174.3367920	0.05
257.0777588	0.05
258.0311890	0.52
259.0295410	0.06
267.9118347	0.51
270.2098389	0.06
298.9948120	0.15
305.1315002	0.04
341.1612549	0.06
342.1427612	0.05
350.4263916	0.07
362.2521362	0.05
375.3402710	0.05
378.2421265	0.74
379.2346802	0.06
380.1679688	1.90
381.2493896	0.92
382.5720215	0.32
386.7459106	6.78
434.9966431	0.08
442.2282715	0.50
444.1286621	0.56
445.1539307	0.15
445.8480225	0.04
454.0677490	0.04
468.4885864	0.11
470.7803955	100.00
508.3696289	0.23
509.0502319	0.19
525.7340698	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.11393738	1.24
118.0641098	1.15
126.8979187	4.78
129.0970612	1.22
130.999115	1.42
133.039093	1.29
136.2414093	1.80
138.8888855	1.01
141.1867371	2.46
143.2523193	4.04
146.654068	0.54
151.2998047	0.74
161.2127533	1.76
163.0714264	2.05
171.1213684	3.06
175.0585327	1.06
181.0349274	2.23
191.2561646	1.37
195.1455383	1.69
196.9575195	0.53
198.5131683	3.34
205.1912537	1.64
208.8856506	1.01
211.1386719	1.77
225.2910767	0.59
227.1903076	3.08
229.2250061	1.43
235.0830383	0.67
237.147644	1.80
239.2127075	2.76
251.3330688	2.21
253.2618408	0.48
254.3204956	0.69
263.6056519	0.59
265.473053	0.95
267.2009888	1.14
269.196167	0.69
270.1598511	3.33
275.166748	17.65
275.7741089	2.05
283.1723328	8.29
293.2075195	100.00
294.1726685	6.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
93.06309509	0.10
94.42501831	0.19
95.04064178	0.89
97.0144043	0.49
98.03871918	0.21
107.2273102	0.31
108.9361954	0.09
111.0058746	0.82
112.9756317	0.56
121.1089859	0.69
122.9816513	0.45
127.1393127	0.53
128.9718628	0.52
133.0834351	0.39
135.0575867	0.94
137.0901184	0.44
138.9671173	2.27
140.9293823	0.40
142.8907318	0.44
145.0273743	0.43
147.1602173	0.24
149.1388092	0.70
151.2112427	0.45
153.1582489	0.93
154.981842	0.92
156.9846802	1.01
158.046402	0.86
158.9188232	0.47
161.4921265	0.29
165.0811157	1.57
167.0335388	0.20
169.2087708	0.89
173.1967163	1.11
175.2631073	0.62
177.1857605	0.49
179.2055664	0.70
181.043335	1.32
183.2555847	1.15
185.2632141	1.65
187.0190125	0.34
189.3171692	0.28
191.2401428	0.24
193.0606537	0.72
195.130661	1.04
197.0939178	6.65
199.1663818	1.10
201.1507874	0.57
203.1754456	1.43
205.090332	0.32
207.1956787	0.60
209.2987976	0.83
211.2796631	2.70
212.1998291	0.35
213.1760559	2.21
215.1312561	0.24
219.1309204	1.76
221.2091675	1.61
223.0625305	1.56
225.3074036	0.42
226.9509888	0.83
229.2897339	0.11
230.0662842	0.62
233.2240906	1.76
234.2793884	0.67
235.1084595	0.61
235.9523621	0.30
237.2180786	2.83
238.5943604	0.73
239.2418518	9.98
243.3141479	1.82
251.0506897	4.41
251.9831543	0.50
253.1513672	2.07
254.3713684	1.00
255.3495178	1.15
256.109436	1.25
257.2073364	0.60
261.3010864	5.23
262.0975342	0.78
267.3382874	0.44
268.1601562	0.41
269.171936	1.26
274.0888367	0.32
276.9339294	1.33
279.23172	100.00
280.1994629	1.35
281.2603455	0.58
288.0571289	3.61
290.6739502	1.09
293.4468384	0.40
296.5579224	0.82
297.9207458	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	651.79
Annotation	Liothyronine
Peak:m/z	Relative Intensity
251.0292358	0.42
295.4660950	0.09
315.9799805	0.74
321.1940613	0.56
354.0484619	0.08
373.8113403	0.59
437.8910522	0.91
446.1422119	0.20
456.3825684	0.09
459.6682129	0.29
464.4470825	0.52
467.2113647	0.62
481.9737549	0.80
483.8693848	3.22
499.8671265	0.31
519.2268066	0.77
521.7654419	4.37
566.0609131	0.17
567.7056274	12.54
568.3643799	0.10
605.6966553	100.00
606.3599243	0.95
607.9804077	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.1013
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
105.7690735	1.04
116.7630539	0.82
132.1000061	0.82
144.8117676	4.49
145.9435272	1.83
149.7534943	0.44
163.0371857	90.06
164.0740051	100.00
169.1088257	0.69
170.3160706	1.73
180.6584473	1.40
191.3125	0.62
194.0111084	0.41
195.0765839	1.34
205.3542023	0.57
222.0249939	1.87
227.2256165	0.56
229.3204041	0.99
239.0587463	2.14
239.7391357	0.88
250.2793274	1.36
267.9776611	1.29
286.9547424	1.00
290.1269836	0.81
291.4406433	0.46
293.4866333	1.28
297.7210999	1.32
299.1293945	0.33
309.4191589	0.95
311.0301514	1.11
311.8954773	1.27
314.1487732	0.39
314.8786011	0.73
319.9744263	0.63
325.0770569	1.03
328.2345581	0.45
332.8504639	0.62
337.1191711	1.87
338.2966614	5.06
338.9088745	1.95
339.5689087	0.40
347.8372803	1.68
355.6904602	1.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	533.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
170.9067230	0.31
173.1513062	0.46
189.0767212	0.20
191.0590515	100.00
274.2322998	0.05
282.9702759	0.05
319.0576172	0.06
340.2814331	0.12
341.0394287	0.26
359.3393555	0.41
374.2121582	0.10
385.0097046	0.12
394.6469116	0.05
400.9554443	0.13
418.3546753	0.43
440.8026733	0.26
443.0459595	0.13
489.7615967	0.05
497.0913696	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.1
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
117.0405884	0.40
133.0551758	0.61
134.9635468	0.17
136.2384338	0.43
138.0450897	0.21
144.9599457	4.31
149.201416	0.25
163.0364685	100.00
163.7317657	0.30
175.9604797	0.29
177.2684631	0.34
179.861908	0.80
180.9521637	0.54
188.1471558	0.27
188.9402161	0.36
193.1276245	0.37
194.0791779	0.53
196.0722961	0.56
199.1867371	0.21
204.9316864	4.04
208.0166626	13.09
221.1978455	0.49
224.9660339	0.33
226.0652466	15.17
235.0699158	0.56
236.0049744	0.77
239.1301575	1.77
240.0284119	0.71
241.2409668	0.33
249.0836792	0.77
257.1825867	0.60
267.2974548	0.56
274.90802	3.23
281.086853	0.41
283.2621155	0.64
288.9544983	7.03
292.1334229	0.78
297.4630432	2.08
298.5851746	1.84
308.5232239	1.26
309.2953186	1.35
309.920166	0.43
311.0604248	1.38
312.6323853	0.61
313.8891602	8.57
319.1132202	1.20
323.4340515	0.66
325.0976562	1.51
327.2197571	4.19
328.0823669	1.12
331.321228	2.35
332.0877075	2.08
333.2411804	1.11
335.6991577	0.44
337.0505371	12.05
338.2627563	2.88
340.3649597	2.28
342.2023926	0.17
345.3956604	2.58
355.2270203	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	304.96
Annotation	Unknow
Peak:m/z	Relative Intensity
141.9467468	0.08
144.8855286	0.09
175.8864288	0.50
200.1065369	0.19
215.2209473	0.45
216.0780334	0.05
217.1252747	0.14
218.4728088	0.11
219.2587891	0.11
226.0827026	0.13
231.3524475	0.17
232.9746704	0.12
235.1038208	0.10
243.0926514	0.08
245.2116089	0.22
247.4083252	0.07
258.1572266	0.48
259.0075684	1.41
259.6229553	0.19
261.1296387	0.61
261.7438965	0.04
263.8419800	100.00
264.4456177	0.44
269.4307251	0.06
277.0236511	0.17
280.9107361	0.74
281.6350098	6.22
283.7661743	0.78
284.4396667	0.14
287.1105957	0.24
290.8977966	0.12
292.6751099	0.70
304.7625732	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	387.2003
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
115.9540558	1.02
116.9313660	0.12
118.8155975	0.24
121.1063538	0.12
123.2390137	0.23
141.1237488	0.09
146.9380341	0.07
149.2274780	0.23
158.9724426	0.20
165.1071167	0.11
172.9079437	0.65
175.1035614	0.10
188.7700806	0.08
195.1456604	0.12
196.9460602	0.33
198.9117126	0.20
204.9572449	0.17
206.7449951	0.66
207.4533081	0.55
208.1919708	1.65
209.1657867	1.06
217.1779938	0.11
225.2175293	1.13
226.1583862	1.29
227.0021057	1.05
229.2942200	0.23
230.9324036	0.30
235.3683167	0.11
236.1943359	0.26
241.1125488	0.12
246.2151794	1.81
254.4783325	0.81
255.2064209	1.06
256.0960999	0.22
258.5707397	0.19
263.1549072	0.06
274.1420288	100.00
284.3128967	0.12
287.3556519	0.36
303.0043335	0.14
307.4040833	0.31
310.2723694	0.12
311.0984497	0.09
312.3385010	0.70
313.2994690	2.48
314.3015137	0.33
317.3866272	0.21
324.9364014	0.14
327.1799622	0.25
332.0677490	0.24
333.3518372	0.39
334.2494202	0.24
335.3678894	0.48
338.2647095	0.55
342.4476013	0.15
343.3146057	0.27
345.3248596	0.24
347.0181580	0.08
348.1539917	0.70
351.4112854	0.30
352.1381531	0.56
353.2786560	1.19
359.2682800	0.49
369.0243530	0.14
370.1012268	2.28
371.1958313	9.46
372.2059937	1.06
373.0804749	0.11
375.5525208	0.08
379.5744324	0.18
380.2849426	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.1227
Annotation	Tyrosyl-Glutamate
Peak:m/z	Relative Intensity
114.1478348	0.12
125.0248642	0.55
132.2881165	0.07
133.0018311	0.26
156.0712891	0.19
163.9533844	0.76
164.9638062	1.14
176.9578552	0.15
178.9061279	0.73
180.0801239	0.55
182.0704498	100.00
184.1990051	0.31
195.1881866	0.48
205.1674500	0.30
213.2693481	0.16
228.3935852	0.08
231.3125305	0.17
235.0484924	0.56
239.0072327	0.11
240.3691101	0.48
248.9551697	0.06
251.2210999	0.14
253.0952148	0.61
265.2862854	0.27
276.2563477	0.14
281.0294800	0.27
283.4515991	0.45
292.4078979	0.93
293.3770142	1.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0475
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
193.1427917	0.25
211.0843658	2.74
220.1430054	0.06
228.8558960	0.01
241.1558533	1.70
273.0753174	0.09
280.1837158	1.21
305.2056885	0.03
321.0784912	0.33
323.1925659	100.00
380.8657227	0.12
385.1172485	2.18
396.2048340	0.02
397.1907959	0.04
403.1896973	2.34
467.1984253	0.43
478.9500732	0.12
480.6910400	0.51
481.3466797	0.02
519.0803833	0.04
522.3540649	0.02
547.2249146	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	413.1088
Annotation	5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide
Peak:m/z	Relative Intensity
118.9981384	0.18
144.9537964	0.16
163.0204773	3.57
175.1125946	0.30
187.0707092	0.11
205.1367645	0.20
207.0823364	0.07
223.1855621	0.02
231.2444458	0.11
237.1549377	0.70
249.1175232	6.15
264.6998291	0.07
267.1150513	100.00
268.0903625	0.08
293.2065125	0.02
326.8634644	0.48
335.1971741	0.07
338.1538696	0.04
351.2040710	1.08
353.1878052	0.20
360.1372986	0.05
367.1713562	0.74
368.1271667	0.16
369.2844238	0.67
375.1850891	0.08
377.3397827	0.19
393.1293335	0.08
394.4882507	0.13
395.2053833	1.98
411.4802246	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	628.69
Annotation	Unknow
Peak:m/z	Relative Intensity
290.8923950	1.05
292.8267212	1.28
334.3023682	0.31
376.7939453	0.93
396.9071045	0.14
418.6140137	0.22
458.5734863	1.07
459.6196289	0.18
460.6934204	10.37
462.7841797	1.46
466.4544678	0.56
520.9939575	1.50
521.7560425	1.03
522.6130371	3.19
541.9624634	1.99
542.6162720	8.08
544.5571899	100.00
545.2678223	0.51
568.9711914	0.17
582.0735474	3.68
583.1365967	1.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.92
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9781799	3.54
159.9696350	0.64
171.1562500	0.03
198.9017334	0.30
199.9128723	0.15
217.2094269	0.11
218.1449280	0.02
228.9680786	0.43
229.9318390	0.36
273.0101929	51.81
274.0552673	17.15
385.0792542	0.02
387.0014954	100.00
387.9684143	49.01
411.5937805	0.13
427.0475464	0.07
427.9987488	0.06
429.1369934	0.07
456.3971863	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1075.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
359.5187378	0.79
823.1944580	0.35
1030.8599850	0.29
1385.6124270	0.26
1502.9676510	0.23
1543.3883060	0.47
1602.9952390	0.60
1654.0186770	0.42
1668.9749760	0.40
1678.5137940	0.67
1681.7863770	1.48
1701.9730220	0.60
1706.8553470	0.84
1715.9216310	0.37
1720.6673580	0.26
1738.0902100	2.21
1746.9427490	32.85
1751.0726320	0.31
1759.8609620	1.78
1763.9356690	1.40
1766.0875240	0.65
1767.6890870	1.09
1770.2064210	0.31
1774.4229740	3.36
1788.4709470	1.56
1790.0106200	1.24
1795.2930910	0.44
1809.7864990	1.45
1815.7049560	0.35
1817.7950440	0.89
1819.4714360	2.79
1822.4353030	0.86
1825.6130370	0.66
1830.1756590	0.37
1833.9520260	1.01
1843.9064940	0.29
1844.8126220	2.28
1846.9520260	0.50
1849.2312010	0.56
1850.3635250	0.26
1851.3836670	0.43
1852.5881350	2.28
1854.8668210	0.72
1856.7136230	1.97
1859.3332520	1.18
1861.1829830	0.68
1863.5386960	2.06
1866.6251220	3.37
1867.7307130	2.07
1869.3365480	2.84
1869.9530030	0.46
1871.0704350	0.68
1874.1566160	1.52
1875.3303220	7.09
1880.4416500	10.73
1881.2696530	0.22
1882.4168700	0.45
1883.8282470	0.74
1889.1677250	0.48
1889.9006350	3.87
1892.3757320	2.57
1894.1702880	0.40
1898.9011230	63.37
1900.0189210	0.46
1901.3109130	0.99
1902.0311280	0.28
1902.6441650	1.29
1903.5423580	0.44
1905.6170650	0.81
1906.9870610	12.50
1907.6488040	0.34
1909.5882570	1.63
1911.6182860	0.75
1913.4816890	0.32
1915.0031740	0.29
1920.0716550	17.54
1924.3394780	4.74
1925.3851320	0.41
1928.5863040	1.10
1930.0648190	1.31
1931.2414550	16.45
1932.1765140	0.31
1933.2966310	0.80
1934.3228760	0.57
1935.4327390	0.26
1936.9710690	16.25
1939.0837400	1.40
1939.9700930	1.72
1941.6560060	3.05
1942.9001460	2.15
1944.2291260	48.51
1945.0289310	0.41
1946.1090090	0.51
1947.1849370	0.60
1947.9539790	0.95
1948.9875490	2.82
1949.9255370	25.85
1950.9476320	0.23
1951.6638180	3.96
1953.3161620	36.53
1954.2198490	0.31
1955.4254150	40.94
1956.1091310	3.63
1956.8304440	53.49
1958.4268800	27.59
1959.8009030	21.86
1961.8165280	3.16
1962.5169680	0.42
1963.2810060	4.00
1964.3033450	0.23
1965.0706790	2.02
1966.4442140	2.90
1967.6823730	1.50
1969.5554200	4.20
1970.4411620	0.92
1971.8566890	12.02
1972.9400630	2.48
1973.8483890	26.52
1974.8317870	37.57
1976.1368410	15.09
1978.1901860	51.78
1979.4190670	11.76
1980.2550050	3.85
1981.2883300	8.82
1982.9578860	13.31
1983.8072510	1.81
1984.7086180	4.48
1986.4659420	1.48
1988.0865480	37.02
1989.2742920	2.36
1990.1314700	4.43
1991.0836180	16.69
1992.4610600	5.52
1993.4429930	8.25
1995.9642330	18.17
1997.0012210	22.69
1998.1922610	100.00
1999.2462160	6.69
1999.9024660	1.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	470.76
Annotation	Unknow
Peak:m/z	Relative Intensity
173.3117523	0.01
218.8066559	0.03
257.1403503	0.02
258.2661133	0.01
295.0748596	0.02
296.9945068	0.05
300.9019165	0.02
302.9728394	5.75
309.0451355	0.14
310.9447632	0.01
315.0466003	0.01
333.1636353	0.07
350.9786682	0.02
384.3313904	0.02
384.9916382	0.13
386.7398376	100.00
387.4203186	0.08
437.8108826	0.02
450.0705872	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
113.2481689	3.23
177.2344208	1.94
183.1200256	9.45
187.1278076	1.56
190.9598694	13.52
197.3948364	2.18
199.1507721	4.24
203.0517883	4.71
205.0278931	6.43
209.3224182	5.94
211.2230988	24.51
213.1479645	3.63
225.2154999	100.00
226.2883453	6.93
227.3879547	34.07
235.1813202	12.66
235.964035	15.41
253.1972809	36.64
255.1886749	12.07
271.2682495	8.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	390.2
Annotation	Unknow
Peak:m/z	Relative Intensity
196.2188568	1.43
254.9418335	2.93
280.3938293	1.33
297.7978210	1.09
313.1766357	4.77
314.0947876	0.79
343.2070312	0.46
344.3769836	0.51
346.4335022	1.60
354.8950500	1.76
362.0939636	0.62
372.3078308	10.63
373.3059998	1.94
381.3386536	100.00
382.1824951	0.62
383.3034973	6.73
383.9644470	1.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
109.1688385	0.45
116.0716705	0.42
123.0746918	0.95
126.5682678	0.85
130.8799591	1.21
133.1213989	1.10
135.0393677	0.49
137.094986	0.45
139.0649719	4.88
144.9337769	0.21
147.0368042	0.57
149.2012939	0.79
151.1804504	1.26
153.178833	0.50
154.9648285	0.44
165.3469238	0.64
169.1819	0.29
177.2831726	0.40
183.1445618	2.04
185.1504974	1.01
187.2702789	2.60
191.5669708	0.24
193.1525116	1.55
195.2115784	2.50
197.1169434	11.91
201.0084229	0.50
203.2019958	1.91
209.0985718	0.94
211.1124573	7.62
215.1006165	1.81
221.1450195	6.17
223.3006287	0.73
225.1817322	1.29
226.5079651	0.87
227.4527283	1.62
237.3791199	2.47
239.178894	14.26
241.4429016	1.07
243.520813	0.29
247.4079285	1.18
251.2544556	1.50
253.1539307	2.97
255.8701172	1.65
261.2176208	5.67
269.2438354	1.49
273.8938904	1.88
279.2400513	100.00
296.4873047	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	295.23
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
84.78653717	0.10
95.12904358	0.30
99.05627441	0.32
108.9740295	0.58
111.056015	0.70
113.9853058	0.39
119.060997	1.02
123.0591736	0.52
125.1060181	0.59
126.842453	0.69
128.1024475	0.27
132.9985352	0.44
137.1772766	0.68
138.9586182	0.18
140.9295044	1.03
143.0148926	0.17
146.9063416	0.77
149.1370544	0.79
151.0929871	0.37
161.0920105	0.15
163.1381531	0.12
167.7795715	0.18
170.97052	0.19
172.8794861	0.98
175.034256	0.95
177.0038757	0.77
179.1315765	1.50
181.1647034	0.60
182.5484924	0.14
183.2139893	1.46
191.2151947	0.34
193.3553772	0.44
195.1891327	1.59
197.2220154	0.88
201.1307373	1.43
202.9104614	0.32
207.1373596	0.14
209.3057556	0.19
211.2001343	0.70
213.2510071	0.17
218.9515686	0.52
220.8931885	0.79
225.4039917	0.47
231.2224121	1.17
233.2043152	0.16
235.2082825	2.65
237.183197	3.94
238.9580688	0.16
239.5605469	0.14
241.243042	0.40
249.3455811	0.79
251.1966858	0.26
253.2868042	3.24
258.5197449	0.34
259.3221436	2.90
263.2463379	0.25
267.2371521	2.13
277.2107239	100.00
278.078186	0.39
285.9434204	0.41
295.0834045	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	907.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
301.5289917	0.03
361.2662964	0.20
404.4058838	0.04
467.6487427	0.11
468.2826538	0.04
487.6796265	0.09
503.2448730	0.03
505.6935425	0.21
506.6014404	0.06
521.3489380	0.12
523.3215942	1.27
524.5416260	0.53
529.4858398	0.02
531.8757324	0.04
547.4049072	0.35
565.7354736	0.25
566.5257568	0.23
657.3165894	0.14
667.3567505	0.33
668.5360107	0.12
683.3577271	0.12
685.3450317	2.33
686.4879761	1.05
709.4356689	0.54
710.5911865	0.06
727.4996948	100.00
728.5445557	35.67
745.5797119	1.45
746.5221558	0.32
751.5617065	0.02
752.3100586	0.03
822.5517578	0.06
829.3615112	0.03
847.4642334	2.99
848.3724365	0.79
849.0054932	0.07
871.5122070	0.15
889.5556030	9.50
890.5966797	3.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.1139
Annotation	Bluensidine
Peak:m/z	Relative Intensity
80.9815903	1.56
84.8944321	0.43
86.7978973	0.58
110.2447205	0.46
116.1861572	0.53
122.0500641	84.29
125.9689636	1.05
133.0227203	100.00
143.9476013	44.02
149.1070099	0.81
156.0240784	2.89
176.9254303	0.23
207.4864655	0.38
247.1695709	0.40
248.2601776	2.30
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
206.9507294	0.25
290.9759521	1.34
313.7155151	0.15
374.8789673	0.11
458.6562500	15.61
459.2740479	0.15
496.7906494	0.19
506.6761475	0.48
520.6338501	0.54
542.1086426	8.14
542.7286987	100.00
566.9474487	0.26
580.7924194	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	603.0037
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
181.2584381	0.17
205.0223541	0.09
211.1288300	3.67
214.9966125	1.27
223.0221863	0.13
232.3975677	0.09
233.1238098	0.19
241.1726990	3.92
256.9085999	0.40
258.9964294	0.43
262.1431274	0.48
269.1192932	0.31
272.3053894	0.13
280.1759033	1.86
284.2442017	0.07
290.2342224	0.23
304.8427429	0.04
306.7830811	0.16
310.2430420	0.30
311.0140381	0.47
317.1346130	0.04
318.1823730	0.18
323.1118164	100.00
325.9393311	0.08
328.5027466	0.24
329.1087646	3.75
331.0814819	0.13
333.0867310	0.11
334.1975708	0.97
346.0775146	0.04
350.0194092	0.27
352.0156860	0.38
353.8904419	0.07
359.0741577	5.43
361.1045532	0.58
371.2611084	0.13
372.0801392	0.31
377.1663818	6.03
379.9874268	0.97
381.0885010	0.08
382.2501221	0.19
385.2600708	0.19
389.9034424	0.15
391.0162964	0.61
396.1596069	0.25
397.9766846	0.53
405.2808838	0.07
406.3045654	0.15
409.9702759	0.12
419.0980225	2.08
423.2070923	2.57
424.2949219	1.03
429.0278931	0.05
430.0150757	0.05
431.3502808	0.18
433.2793579	0.06
440.2351685	2.56
441.0713501	27.62
442.4109497	0.12
447.1263428	0.39
449.1537476	0.50
452.1779175	0.63
453.3313599	0.42
458.1398926	0.15
462.3735962	0.09
464.3584595	0.13
465.0565186	0.06
467.0921631	0.41
470.1653442	9.06
473.1550903	0.24
483.2019653	33.89
485.0973511	0.06
488.1756592	1.67
491.1517334	3.76
495.3260498	0.08
500.2515259	0.11
504.9816895	0.04
516.8325195	0.67
518.9354248	1.64
524.1741943	1.28
541.9871216	0.67
560.1765747	52.73
585.1665039	23.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
77.1461792	0.85
84.95386505	1.63
103.0158997	1.23
106.6053162	0.51
108.9990692	1.11
118.7202148	1.59
121.0961609	2.54
123.1152496	0.65
129.0267334	5.64
131.2239227	1.23
133.0014954	0.55
137.0941925	0.92
147.3302917	0.45
150.9628448	100.00
152.0210724	2.05
154.452774	2.06
156.9894409	0.86
159.1160431	1.42
161.1313324	1.46
165.2854462	0.47
167.068512	2.25
169.0093536	0.81
171.1456451	2.03
174.7118378	0.70
180.3491974	2.41
183.1318817	0.38
184.1550751	3.09
185.1324005	4.44
186.3092499	0.47
190.8897858	1.09
193.0377655	1.25
193.962677	1.59
197.0267181	2.82
198.0712433	1.64
199.0535736	0.51
206.0913849	1.48
207.3162079	2.72
209.2208099	0.78
210.052948	1.11
211.0509796	2.53
217.1687622	3.90
225.1738434	25.79
229.0785675	0.47
235.3424072	17.29
238.2510834	11.68
239.2660675	3.86
251.1621704	0.98
253.0827484	68.32
254.0692749	5.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	898.24
Annotation	Unknow
Peak:m/z	Relative Intensity
294.0796204	0.48
323.2221069	0.65
325.2946167	0.41
342.7569885	1.43
351.3749084	0.54
361.1955566	0.85
370.7827148	0.48
390.2510986	1.03
487.0180054	0.44
587.3109131	1.00
666.2844238	0.51
756.6339722	0.42
880.4353027	0.45
886.9816895	1.81
931.4436646	3.22
944.5153809	4.60
950.3035278	3.64
985.2414551	4.39
988.1066895	3.18
1006.0923460	5.22
1008.7075200	17.22
1009.3154910	8.23
1011.8502810	12.76
1012.8354490	1.15
1015.2705690	0.49
1075.6064450	1.88
1094.7402340	0.20
1105.0048830	0.26
1117.2905270	53.88
1119.2521970	0.95
1127.0994870	2.67
1128.4194340	1.01
1134.5537110	0.49
1136.7348630	3.38
1140.0318600	29.53
1140.7738040	0.28
1160.8175050	2.58
1162.0017090	1.87
1177.7915040	4.64
1178.6136470	2.26
1182.1079100	6.42
1185.2047120	3.10
1438.1718750	2.30
1460.4305420	0.22
1496.7581790	0.52
1580.3104250	0.64
1594.9206540	0.44
1615.7004390	3.87
1625.0928960	1.29
1636.6427000	0.44
1668.8216550	0.56
1674.1809080	0.92
1687.7657470	0.56
1695.4925540	0.35
1707.0080570	0.31
1710.6145020	0.72
1724.6862790	0.41
1729.8631590	0.16
1734.1727290	0.33
1741.3709720	0.23
1742.8509520	0.37
1752.4465330	0.48
1764.0319820	0.18
1771.0526120	0.19
1771.7370610	0.22
1774.8255620	0.18
1781.7150880	0.22
1782.9904790	6.72
1785.4852290	0.37
1797.9920650	0.31
1799.6175540	0.48
1801.7086180	0.49
1806.0314940	0.85
1808.9689940	2.51
1814.7028810	0.37
1815.8714600	0.56
1822.3670650	1.60
1824.0422360	0.26
1829.1341550	0.25
1830.2585450	0.24
1832.5701900	1.21
1834.6666260	3.59
1836.1922610	0.31
1839.8846440	0.83
1840.7462160	2.07
1842.6138920	0.60
1844.0847170	2.33
1845.5347900	0.39
1848.9893800	1.75
1850.4582520	0.14
1852.8118900	0.41
1855.2725830	0.36
1862.8033450	9.72
1867.4866940	25.78
1869.9528810	2.01
1871.1589360	1.77
1880.2000730	11.03
1882.4288330	1.03
1883.3073730	0.41
1885.6638180	0.22
1887.4005130	0.21
1888.6926270	0.51
1889.4666750	2.72
1891.4945070	1.90
1895.2022710	0.71
1895.8171390	2.24
1897.3140870	2.18
1898.8513180	0.31
1901.8782960	33.07
1902.7830810	0.94
1905.6048580	2.77
1906.4588620	0.58
1908.8785400	4.05
1909.9461670	27.46
1911.1223140	1.11
1913.8626710	1.65
1919.5155030	2.22
1920.2039790	8.40
1922.8952640	0.20
1924.9095460	2.78
1925.8341060	0.75
1928.4117430	3.28
1929.8172610	0.77
1930.4420170	0.20
1932.8543700	2.50
1935.4196780	6.35
1936.4416500	0.82
1937.4953610	9.67
1938.2459720	4.14
1939.1317140	5.53
1940.1760250	8.19
1941.7155760	8.95
1942.6387940	0.27
1943.5906980	100.00
1944.8912350	0.35
1945.8846440	4.02
1947.0804440	2.06
1948.7717290	1.64
1949.7077640	0.92
1950.5632320	9.82
1951.4805910	0.96
1952.8347170	2.16
1953.5689700	20.67
1954.5877690	3.05
1955.5627440	5.31
1958.7062990	2.50
1961.0001220	65.29
1963.3006590	4.70
1964.7160640	2.96
1966.9234620	4.03
1969.3153080	51.09
1971.0490720	29.34
1971.8599850	44.72
1973.0251460	4.92
1975.7727050	5.93
1977.9577640	10.67
1979.5646970	16.26
1981.2918700	7.45
1982.1817630	8.44
1983.2215580	5.98
1984.2313230	14.33
1985.9588620	12.98
1987.7554930	7.45
1989.1568600	8.26
1990.1241460	0.87
1991.3049320	3.38
1992.6160890	6.90
1994.4979250	7.26
1995.4118650	1.63
1996.3702390	0.47
1997.3269040	3.30
1998.2169190	1.87
1999.8240970	10.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	380.3
Annotation	Unknow
Peak:m/z	Relative Intensity
131.9549866	0.22
148.1166687	0.56
172.6339722	0.97
187.0711823	0.24
201.0788574	0.21
219.0481567	1.26
230.9319458	0.99
238.2474365	0.24
240.1996460	0.21
249.0537109	29.89
249.6692200	0.12
250.3526917	0.34
251.0068054	0.22
269.6898193	0.88
274.2772827	0.41
290.0116882	5.61
291.0198364	0.39
306.6513672	0.38
318.1818848	2.05
328.1524353	0.59
334.0466003	0.25
336.0052795	100.00
336.6359253	1.31
342.6670532	0.26
351.3901978	0.32
362.0292358	4.50
363.0433960	1.65
371.4787903	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1499.64
Annotation	Unknow
Peak:m/z	Relative Intensity
438.2134094	0.39
508.3884277	0.18
525.5123291	0.63
531.9072266	0.25
540.5620117	0.20
552.6156616	1.48
569.5498657	0.29
603.3750000	1.03
627.5361328	0.23
633.8500977	0.54
640.5598145	0.87
652.2810059	0.36
655.9270630	0.33
658.4602051	1.29
681.6143799	0.52
685.5968018	0.48
691.4576416	0.57
705.4790649	1.74
726.0166016	1.01
749.1783447	0.52
768.0899658	0.24
769.3074951	0.67
784.2235107	0.41
786.2153320	0.22
803.4806519	0.67
807.8443604	0.93
813.4321289	1.10
829.4055176	1.46
830.6702881	0.50
832.9593506	0.20
834.7333374	0.69
847.6265259	2.28
854.1911011	0.69
855.3976440	0.52
858.3538818	0.67
862.5538330	0.39
874.4418945	0.14
881.5414429	2.18
886.4013062	1.02
905.4436035	0.41
912.1170654	0.41
939.8726807	2.17
943.1928711	0.88
945.8109131	1.52
953.4016113	3.45
954.2774658	0.38
957.1213379	2.18
958.2685547	2.19
959.1214600	5.48
961.3188477	0.22
964.1175537	2.46
965.0607910	1.24
966.1511230	5.27
967.9614258	1.80
971.1893311	0.24
971.9947510	1.04
980.0782471	2.19
981.0606689	9.62
981.7189941	1.36
997.1456299	3.59
998.5208740	0.29
1002.5062260	0.50
1004.6276860	0.25
1005.7752690	0.33
1010.5902100	0.61
1018.5866700	0.41
1021.7076420	1.40
1032.7133790	0.25
1034.5507810	0.48
1043.7702640	1.22
1045.4042970	0.20
1053.2229000	1.55
1081.6979980	0.86
1083.7415770	0.31
1092.2402340	0.82
1105.6718750	1.23
1114.4095460	1.68
1124.6030270	0.48
1133.2609860	2.27
1140.8093260	1.35
1145.6716310	0.48
1157.6345210	3.35
1166.3945310	0.24
1167.7357180	1.18
1170.7644040	1.60
1173.1683350	3.51
1181.4156490	2.80
1186.9683840	0.53
1197.6734620	0.37
1203.0405270	0.21
1205.4346920	0.75
1212.9324950	3.56
1215.6669920	0.14
1218.1086430	1.27
1220.1215820	1.10
1223.9586180	1.13
1224.7847900	0.67
1229.3709720	1.70
1230.2023930	1.31
1231.8452150	0.82
1232.8261720	1.95
1234.8933110	6.59
1235.9224850	1.65
1238.6217040	0.31
1241.2905270	3.77
1242.2763670	0.41
1244.2980960	0.35
1245.6867680	3.16
1246.7546390	1.01
1249.8264160	0.77
1250.4395750	0.63
1251.4665530	6.21
1253.1098630	3.41
1254.2114260	0.67
1255.2214360	0.73
1258.1831050	2.05
1259.6960450	0.50
1261.3222660	0.50
1264.8522950	0.52
1267.2177730	5.40
1268.0761720	1.72
1270.1667480	2.53
1276.8292240	3.30
1278.0159910	3.82
1279.9497070	0.74
1280.7988280	0.56
1288.0445560	3.50
1291.3950200	1.83
1292.5349120	1.79
1293.2719730	0.16
1294.0417480	1.91
1295.6711430	0.25
1298.3923340	1.11
1299.5913090	0.37
1300.7185060	1.11
1303.9122310	2.24
1304.6318360	2.75
1306.4333500	1.84
1309.0515140	3.03
1310.6149900	1.67
1313.6347660	6.94
1316.7092290	4.70
1319.8570560	0.95
1321.8015140	5.11
1322.8205570	1.33
1325.7794190	6.00
1326.6296390	5.19
1327.2303470	1.36
1328.2902830	7.71
1329.3813480	2.87
1330.0236820	0.52
1331.1968990	11.71
1332.5551760	6.95
1333.7335210	1.48
1334.3516850	0.38
1335.8656010	5.27
1337.0275880	4.50
1337.9291990	7.64
1338.9836430	1.59
1340.5258790	1.07
1341.3522950	9.36
1342.2583010	8.57
1342.8625490	0.89
1344.3916020	5.05
1347.0792240	4.42
1347.8437500	0.44
1349.0848390	8.52
1352.7338870	26.57
1354.1771240	2.74
1355.6177980	4.18
1356.5864260	0.79
1357.3486330	0.22
1358.8244630	2.24
1359.7773440	1.77
1364.0712890	3.93
1365.5128170	0.95
1366.2996830	0.20
1367.6329350	0.72
1368.9428710	0.56
1370.2202150	8.12
1370.8432620	1.30
1373.6252440	0.22
1376.6396480	0.48
1379.6708980	0.52
1381.5528560	0.92
1382.9836430	1.62
1383.6611330	0.73
1386.9760740	0.57
1388.4063720	0.56
1389.0563960	0.18
1389.9208980	1.80
1391.5167240	0.29
1392.8579100	0.61
1394.5623780	1.54
1396.3260500	0.20
1399.6442870	2.92
1401.2681880	2.37
1402.6035160	2.15
1403.8730470	0.35
1405.9746090	0.27
1406.6817630	1.22
1408.7436520	2.96
1410.7558590	0.65
1414.8728030	1.31
1415.6104740	6.37
1416.7204590	7.17
1417.6990970	4.47
1419.5856930	3.61
1420.5701900	2.06
1421.8200680	0.39
1422.8425290	0.31
1423.9682620	2.02
1425.1325680	1.90
1426.5622560	2.66
1427.8658450	2.54
1428.5870360	3.16
1429.3201900	2.58
1430.0614010	12.27
1431.2805180	18.79
1431.9193120	0.14
1432.6343990	6.76
1433.3260500	2.82
1434.4091800	5.92
1435.1197510	2.68
1435.9932860	4.86
1436.8100590	1.83
1438.1416020	12.13
1439.5295410	11.99
1440.4542240	1.05
1441.1235350	4.85
1442.0960690	8.93
1442.7554930	8.87
1443.5745850	2.65
1444.6507570	5.58
1446.0495610	28.69
1446.8266600	9.30
1447.4470210	0.73
1448.2501220	7.27
1449.1455080	3.96
1449.8131100	8.55
1450.8011470	24.64
1451.8190920	7.14
1452.6799320	16.00
1453.5979000	9.53
1454.8320310	10.16
1456.0440670	30.95
1457.2601320	52.43
1458.1108400	6.80
1459.2408450	6.13
1460.4273680	32.52
1461.1480710	15.58
1461.8752440	20.57
1462.9791260	23.11
1463.7438960	29.90
1464.6859130	1.91
1465.9322510	13.44
1467.1407470	61.93
1468.2036130	28.36
1468.9005130	9.00
1469.8437500	35.45
1470.5434570	45.65
1471.8570560	100.00
1473.0257570	49.37
1474.4495850	30.64
1475.4830320	9.15
1476.5054930	9.17
1477.5600590	30.71
1478.4737550	98.66
1479.2673340	3.07
1480.6323240	0.50
1481.9561770	28.38
1483.0305180	15.85
1484.4256590	12.40
1485.1151120	0.85
1500.7813720	0.78
1502.4539790	0.62
1505.6219480	0.63
1506.8463130	0.20
1511.9251710	0.37
1512.7194820	0.72
1514.4344480	0.31
1515.7327880	0.64
1516.8255620	0.52
1520.8587650	0.75
1522.1259770	10.74
1522.9735110	4.22
1524.0490720	0.79
1528.6387940	0.26
1531.6762700	4.49
1537.2415770	1.92
1538.8604740	12.35
1539.8024900	1.39
1545.2593990	0.59
1548.7774660	0.99
1549.8558350	0.82
1554.7561040	3.81
1555.6282960	2.76
1565.5020750	0.46
1567.6663820	2.30
1569.9549560	1.06
1576.9023440	2.55
1582.5560300	0.76
1591.3214110	0.35
1608.3540040	6.24
1647.7546390	0.98
1651.9730220	0.35
1652.9151610	0.53
1665.8341060	0.54
1674.1341550	0.18
1678.3299560	0.76
1688.4058840	0.52
1697.4832760	2.66
1704.7058110	1.89
1706.1142580	0.42
1712.3327640	0.96
1716.9633790	0.85
1717.8433840	0.24
1724.8494870	0.37
1726.2713620	0.22
1728.2388920	0.72
1732.3466800	0.94
1734.2929690	3.39
1736.4669190	1.01
1738.7579350	0.33
1739.8132320	0.35
1740.9483640	1.82
1743.5904540	2.36
1748.6890870	0.24
1753.6070560	0.50
1754.5047610	2.31
1756.2995610	0.39
1758.2247310	0.29
1759.3823240	1.67
1760.3109130	2.03
1764.9539790	0.61
1765.6418460	0.46
1766.7170410	1.09
1767.4686280	1.26
1768.5445560	1.59
1769.7829590	0.84
1770.4832760	1.78
1773.5723880	1.55
1775.3181150	1.69
1776.8953860	3.12
1780.5987550	0.25
1782.2469480	3.71
1783.2503660	4.40
1784.0305180	1.10
1784.7395020	0.35
1785.8089600	1.58
1789.0457760	0.31
1792.0545650	3.66
1799.1379390	1.73
1806.1169430	0.35
1807.6458740	2.06
1808.5523680	1.04
1816.8132320	0.20
1823.1187740	0.24
1825.2028810	0.84
1828.6788330	0.29
1829.8767090	1.10
1830.4885250	0.22
1833.2443850	1.15
1833.9237060	0.99
1834.5477290	2.51
1835.4670410	0.44
1836.6716310	2.25
1841.4141850	1.90
1843.5391850	0.25
1849.2580570	0.54
1851.5222170	0.89
1852.8397220	2.14
1853.6500240	0.18
1855.6678470	1.11
1858.8767090	0.33
1860.4284670	2.79
1866.0926510	1.45
1866.9582520	0.29
1868.8695070	4.11
1869.9558110	0.53
1871.7268070	1.63
1873.6671140	3.46
1874.7435300	0.90
1875.6549070	0.58
1879.3734130	0.12
1883.7877200	1.64
1885.4489750	1.92
1886.0999760	0.84
1887.3011470	0.29
1889.3114010	2.79
1890.2189940	2.66
1891.5035400	1.10
1892.7628170	0.83
1894.2874760	0.86
1896.8450930	2.04
1897.9364010	0.46
1898.7258300	1.60
1899.4923100	2.01
1900.6027830	3.05
1903.1751710	0.94
1904.6407470	0.30
1905.9885250	1.09
1907.2264400	1.12
1911.7723390	3.26
1913.4591060	3.10
1914.4851070	1.66
1916.2901610	0.99
1917.5329590	1.63
1918.9881590	2.43
1920.6815190	3.91
1921.7844240	2.76
1922.8077390	1.79
1923.4376220	0.29
1924.6297610	0.36
1925.3670650	1.01
1929.2410890	7.19
1930.3166500	2.04
1931.3483890	0.42
1932.8643800	1.68
1933.5079350	0.65
1934.3000490	0.65
1936.4495850	1.12
1937.7601320	7.35
1939.1370850	2.69
1939.9427490	3.04
1941.0699460	2.59
1944.2310790	0.92
1946.1536870	0.93
1946.9342040	0.52
1949.3469240	0.60
1951.5032960	1.31
1955.0588380	1.53
1955.7663570	1.41
1958.0172120	0.31
1960.6828610	2.34
1962.1926270	1.20
1962.9989010	11.74
1964.1428220	3.72
1965.3117680	0.31
1969.4371340	3.06
1970.7297360	0.33
1975.3809810	1.06
1977.3604740	0.88
1978.0382080	0.42
1983.7464600	0.71
1986.0782470	0.79
1986.8831790	1.50
1995.0563960	1.83
1995.8638920	2.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1144.7526
Annotation	Unknow
Peak:m/z	Relative Intensity
390.3595276	0.23
395.2826233	0.05
403.4122925	0.05
410.3065796	0.22
478.3505554	0.15
484.6255188	0.11
528.4876099	0.06
608.3219604	0.15
643.3007812	0.10
684.5852051	0.11
722.4378052	0.10
766.4099121	0.10
841.4572754	0.05
881.8970947	0.19
893.2728271	0.31
930.8436279	0.53
943.6389160	0.13
1003.6850590	0.10
1009.9144290	0.35
1017.3350830	0.54
1018.5333250	0.49
1024.2659910	0.10
1027.4932860	0.23
1035.8574220	0.29
1037.4772950	0.08
1039.3413090	0.37
1040.6970210	0.57
1045.6562500	0.75
1049.8077390	0.33
1050.8515620	2.09
1053.0665280	0.40
1054.6420900	0.94
1056.5612790	0.13
1058.8671880	0.29
1059.7800290	1.41
1063.5729980	0.93
1064.2116700	0.09
1071.7539060	0.11
1072.9283450	0.33
1074.9929200	0.46
1077.0241700	1.91
1077.9871830	0.32
1079.2474370	0.53
1080.3176270	1.62
1081.8461910	0.84
1084.3322750	1.74
1085.5554200	1.69
1087.8232420	2.84
1088.6118160	2.62
1090.3051760	0.68
1092.3826900	11.29
1093.0479740	3.27
1093.6918950	0.14
1096.7272950	1.04
1098.6135250	0.88
1100.9340820	2.91
1101.7503660	0.99
1103.3233640	1.43
1104.1706540	1.76
1105.2519530	3.17
1105.9666750	1.32
1106.6834720	0.07
1107.8026120	10.41
1108.7265620	1.54
1109.7661130	3.85
1110.4245610	3.12
1111.7716060	3.81
1112.5848390	22.94
1113.9371340	1.95
1116.3476560	4.62
1116.9908450	14.90
1117.9680180	1.25
1118.6894530	0.20
1119.3493650	0.20
1120.6892090	6.23
1121.5933840	2.05
1122.9870610	1.12
1125.8472900	0.16
1126.6800540	0.23
1129.7167970	0.73
1130.3554690	0.30
1132.3548580	2.01
1133.7713620	0.78
1134.4461670	0.28
1142.0009770	0.15
1159.8098140	0.05
1162.8250730	0.13
1178.3359380	0.20
1183.6246340	0.64
1200.7773440	0.19
1223.3896480	0.55
1227.1141360	0.13
1234.7562260	0.56
1243.2667240	0.09
1245.5804440	0.17
1250.3522950	0.21
1258.0568850	0.29
1260.8583980	0.17
1267.5223390	0.29
1278.0114750	0.10
1288.2524410	0.38
1291.9184570	0.29
1302.5402830	0.28
1303.8510740	0.04
1309.2781980	0.34
1311.0410160	0.38
1314.3096920	0.32
1321.8208010	0.45
1327.4062500	0.74
1328.4624020	0.10
1332.3522950	0.40
1336.4571530	1.40
1339.0168460	0.77
1341.4422610	0.74
1342.3494870	0.31
1344.1043700	0.32
1344.8712160	0.24
1346.3977050	0.07
1347.3782960	0.79
1349.4392090	1.56
1351.6462400	0.76
1353.0362550	0.55
1353.9512940	0.35
1357.9481200	0.03
1358.6964110	0.55
1359.3948970	0.17
1360.0584720	0.58
1361.0656740	0.23
1362.5310060	0.50
1365.4846190	1.58
1366.1898190	0.63
1366.9049070	0.62
1368.4256590	0.21
1369.0395510	0.28
1369.7967530	0.29
1372.1646730	0.67
1373.3537600	0.27
1374.3908690	2.32
1375.1608890	0.34
1376.3250730	0.08
1378.3885500	0.90
1379.0081790	0.20
1379.9094240	4.75
1380.8118900	1.08
1384.3314210	1.93
1385.2188720	1.47
1386.9309080	0.04
1388.0864260	0.69
1388.9478760	0.32
1390.5777590	0.91
1391.2476810	0.67
1393.8063960	0.83
1394.8210450	0.72
1397.4367680	1.03
1398.5178220	1.19
1399.6358640	1.80
1401.7938230	1.77
1403.2044680	3.25
1404.0271000	4.47
1405.6060790	1.55
1406.4969480	3.42
1407.5147710	1.00
1409.0013430	0.07
1409.6286620	0.58
1411.7241210	5.88
1412.7454830	3.83
1413.5469970	0.39
1416.2626950	0.82
1417.7756350	15.03
1418.5804440	7.71
1419.6436770	0.79
1422.5147710	0.61
1423.5413820	0.67
1424.8186040	0.59
1425.5880130	0.56
1426.6661380	0.67
1427.7847900	2.14
1429.1345210	0.63
1429.9527590	0.89
1430.9722900	1.72
1431.9234620	0.64
1432.5667720	0.26
1433.5860600	1.42
1434.3358150	0.18
1435.6639400	1.86
1437.1821290	5.51
1438.1811520	1.55
1439.1326900	4.95
1440.1534420	2.30
1440.9461670	1.01
1442.4089360	0.91
1444.5906980	9.24
1445.6368410	3.10
1446.3948970	2.26
1449.6004640	5.30
1450.6217040	15.61
1451.4052730	12.04
1452.4302980	0.50
1453.6966550	0.23
1454.6160890	1.08
1455.3841550	3.80
1456.4036870	100.00
1458.4259030	0.24
1459.2409670	1.27
1459.9302980	0.03
1461.5911870	0.10
1462.2325440	0.30
1462.9974370	0.15
1465.1427000	0.62
1466.1778560	0.33
1467.3359380	1.39
1469.0772710	0.14
1469.8297120	1.19
1470.6634520	0.48
1471.4704590	1.34
1472.9515380	0.96
1474.1121830	3.64
1476.3065190	3.15
1477.2941890	3.30
1478.4536130	0.51
1479.4417720	3.81
1480.1524660	0.65
1482.1416020	9.85
1483.0013430	18.47
1483.9962160	0.48
1488.3001710	37.14
1489.0333250	43.92
1490.1409910	1.69
1490.9906010	0.84
1491.7360840	0.12
1493.7559810	9.16
1494.7449950	2.37
1496.7972410	0.10
1499.3341060	0.24
1501.7078860	0.11
1502.8968510	0.36
1520.7441410	0.19
1524.7247310	0.12
1529.5666500	0.09
1569.0446780	0.52
1581.7775880	0.15
1612.9051510	0.18
1613.7146000	0.10
1654.2949220	0.21
1656.2955320	0.35
1663.7347410	0.04
1677.6661380	0.13
1680.4987790	0.17
1683.5943600	0.25
1687.7838130	0.19
1698.3210450	0.49
1701.7061770	0.33
1711.0025630	0.04
1739.1761470	0.33
1756.2058110	0.16
1776.1735840	0.07
1784.7501220	0.08
1803.3135990	0.15
1805.1199950	0.18
1811.6278080	0.27
1814.4862060	0.25
1815.4957280	0.72
1818.9495850	0.17
1820.6324460	0.05
1821.2370610	0.19
1842.6135250	0.06
1843.4207760	0.13
1846.7312010	0.51
1848.8742680	0.09
1851.3956300	0.05
1855.0139160	0.07
1855.8444820	0.04
1856.9776610	1.16
1860.8054200	0.08
1863.6905520	0.12
1864.6062010	0.39
1874.2282710	0.05
1877.1241460	0.05
1877.8372800	0.40
1883.6765140	0.48
1886.1412350	0.45
1887.8728030	0.08
1889.0529790	0.63
1892.7419430	0.84
1897.3043210	0.09
1898.4183350	0.11
1900.8132320	0.09
1903.1751710	0.16
1904.5638430	0.31
1907.2020260	0.04
1908.2052000	0.15
1912.5227050	0.09
1914.1345210	0.26
1915.4235840	0.16
1917.1436770	0.09
1918.3205570	0.05
1919.7554930	0.23
1922.1427000	1.46
1923.5113530	0.09
1924.7513430	1.35
1926.7554930	0.38
1930.6278080	0.13
1932.4202880	0.69
1934.6096190	0.05
1935.9641110	0.33
1937.0621340	0.33
1937.9019780	15.47
1939.0109860	0.73
1940.9128420	0.61
1944.2406010	0.73
1945.9622800	0.05
1947.0661620	0.12
1947.8402100	1.67
1948.6862790	1.04
1951.3638920	0.14
1955.1994630	0.09
1961.9791260	0.03
1963.1248780	6.83
1963.9807130	3.39
1967.5743410	0.10
1969.9359130	0.09
1972.1579590	0.05
1975.3404540	0.20
1976.1842040	0.86
1977.3841550	0.08
1979.4715580	0.09
1981.4327390	12.92
1983.3488770	0.28
1984.3616940	0.37
1985.2799070	0.11
1988.6296390	0.15
1990.0284420	0.04
1992.3020020	1.19
1993.8415530	0.40
1996.7896730	0.10
1998.6350100	2.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1689
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
92.96232605	0.63
99.00626373	0.86
119.0791779	0.54
125.1728058	0.27
140.9066467	0.66
150.9024048	1.25
155.27771	0.24
170.0470581	4.68
183.0097046	100.00
183.9885254	14.85
185.0464478	1.04
193.2500458	0.33
195.9599915	0.80
196.9362335	6.29
198.0346222	1.77
199.0966644	2.08
200.4020386	1.04
202.432373	0.42
211.2035828	1.86
212.3656006	2.03
213.2025452	1.51
225.0523071	4.57
226.1069031	4.37
231.1764221	0.45
237.2211304	1.39
239.5081482	6.39
240.3463745	2.74
241.0433044	0.33
243.3510437	2.53
247.2984009	5.16
249.1503296	8.37
263.0995483	0.63
264.1947021	1.20
267.3363953	11.57
269.2253723	1.79
279.1072083	0.90
283.1712952	0.24
293.2211304	30.96
294.410614	0.74
311.3822632	9.88
312.1713257	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	328.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
108.2215729	0.08
109.0333252	0.18
109.8960724	0.15
118.2146378	0.13
136.9068909	0.72
154.0112610	100.00
173.0263672	3.95
200.1298676	0.07
237.7373657	0.11
259.5246277	0.50
266.7941284	0.07
281.0200195	0.10
281.9349060	0.13
283.8208618	0.21
286.4016724	0.27
309.2176208	0.19
310.2611084	0.17
314.3782349	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	852.454
Annotation	Unknow
Peak:m/z	Relative Intensity
242.7401581	0.28
254.3110199	1.45
255.3023376	0.31
262.7324524	0.45
315.5086670	1.03
331.3631897	1.36
341.3118896	0.60
343.5806274	0.25
344.6131592	1.78
345.4028320	0.37
350.1611938	0.21
368.3958740	0.58
373.2742615	0.92
374.4075928	0.61
380.5000305	0.26
386.0781250	1.81
387.5781250	0.19
396.5047607	0.26
419.6298828	0.47
426.1693726	0.63
438.3850708	1.57
444.0098267	0.63
453.7111206	0.38
456.3782959	1.26
459.4025879	1.27
466.5939331	2.71
473.1187134	0.52
474.3035889	4.31
475.3575439	0.25
478.4561157	1.01
479.3439331	1.17
480.4547729	0.48
484.6872559	1.64
488.4688110	0.15
489.4312134	0.34
491.1291504	1.03
492.3916016	2.05
493.5327148	0.96
497.9038086	1.94
504.4891357	0.33
505.3598633	0.71
515.1739502	0.27
516.6052856	0.53
522.5074463	0.41
524.3430786	0.45
535.4287720	0.61
546.4158325	1.48
549.3932495	1.65
555.0125732	0.35
556.3175049	1.31
560.2111816	0.23
561.6075439	2.91
567.5238647	1.34
570.1651001	2.12
571.1937866	1.61
573.4059448	1.92
576.5222778	0.25
577.5891724	0.85
578.3879395	0.33
585.7695312	0.84
587.7003784	4.50
588.7056274	2.90
589.4628296	1.41
590.0689087	2.86
591.5133057	0.77
597.3793335	0.77
601.6423950	0.17
603.0829468	2.93
604.3736572	5.90
605.1652832	3.14
605.8645630	2.54
606.6450806	1.28
612.3502808	2.02
613.3619385	1.11
619.1345215	1.79
620.2816772	0.83
621.4990234	1.15
622.3284302	0.40
624.3024292	0.42
626.7655640	0.43
628.2988281	3.10
631.9048462	0.41
635.6209717	0.51
639.5760498	0.87
640.1945190	0.25
644.6654663	0.38
647.5354004	0.44
653.7307739	0.99
655.2009277	0.37
656.2726440	2.01
657.4558105	0.73
658.4281006	1.10
659.9233398	0.64
663.3641357	10.11
664.2451172	6.97
666.2234497	1.85
667.4223633	2.84
672.1710815	2.27
674.1537476	1.79
675.3812866	1.68
680.5454102	2.64
681.1979980	0.16
686.5142822	11.55
687.5259399	6.84
688.9657593	1.83
692.4158936	0.21
693.2949829	1.87
694.0299072	6.95
694.9385986	1.61
698.7990723	0.72
702.4265747	1.31
703.4201660	0.78
704.6166992	1.44
706.4949951	1.40
709.7022095	0.28
716.3852539	2.62
717.5543823	0.70
718.4884644	1.12
720.5059814	7.83
721.2079468	18.43
722.0882568	0.59
723.2775269	0.33
724.6719360	2.98
725.6383057	1.41
728.9496460	1.02
729.6476440	8.15
730.6226196	1.93
732.5108032	7.89
733.6348877	3.29
734.5312500	3.12
735.6299438	3.71
736.2356567	0.36
737.1464233	3.03
738.5036011	23.29
739.3909302	2.78
740.9049683	0.40
743.2398071	2.57
743.9866333	2.25
745.0335083	2.17
746.6112671	0.63
749.7675171	1.37
751.5335083	1.58
752.3643188	1.02
754.4782104	0.98
758.5225830	11.49
759.3480835	3.34
764.9036255	0.43
765.6148071	0.23
767.9564819	1.42
769.3071899	0.79
774.0225830	8.25
778.7379761	13.49
779.9019165	9.30
780.6026001	0.21
781.6558228	1.32
783.8258057	0.72
784.4962158	0.76
786.3965454	1.39
787.7754517	4.66
788.9232178	1.31
789.7128296	0.85
790.8300171	0.33
794.6351929	0.19
798.2255249	1.90
800.3494873	0.35
802.9093628	1.43
804.1661377	3.72
805.4043579	0.74
807.8237915	0.84
811.4570312	7.22
812.0903931	7.27
812.7383423	3.20
815.7741699	0.75
821.4717407	35.58
822.5426025	29.78
823.7199097	2.09
824.9297485	3.01
827.1322632	0.49
827.8789062	0.65
829.6647949	6.72
831.4041748	1.07
832.1489868	1.34
833.3895874	0.60
836.5049438	3.87
837.7198486	2.39
841.4014282	6.23
842.4319458	0.75
843.7659302	2.50
844.6032104	0.29
858.5567627	0.74
859.8876953	1.43
865.7589111	0.27
866.7595215	0.27
868.4396362	13.85
869.4982910	7.16
873.5862427	1.53
877.3213501	0.76
881.8998413	0.84
885.8478394	0.89
886.6973877	11.19
887.6323242	10.47
888.8942871	4.23
896.5714722	3.49
897.5242310	0.48
901.6354370	0.25
902.6478271	1.21
907.9229126	1.05
909.9408569	0.98
910.8330078	0.86
914.6611938	0.31
916.7716675	0.79
919.1771851	2.72
919.7973633	2.95
921.7742310	1.43
925.1542358	1.74
930.2219849	3.10
930.8671265	0.87
932.3715210	1.42
934.5896606	4.39
935.7057495	6.58
936.6257935	1.57
938.1594238	0.46
941.6480103	0.35
942.6902466	0.40
944.8378906	0.35
946.3874512	1.43
949.5309448	1.05
950.4345093	0.18
954.8703003	0.53
956.1698608	0.78
963.7358398	0.82
965.8273315	0.96
969.8141479	1.06
976.6552124	1.86
977.4360962	3.32
979.7927246	0.43
983.7333984	3.15
985.0197144	0.57
985.7373657	1.64
990.6353149	23.19
991.8607788	3.80
995.9484863	0.31
997.8732910	2.47
999.1600952	2.78
999.9970093	1.64
1001.7102660	18.16
1002.5725100	11.52
1003.7604980	5.56
1004.6548460	2.12
1011.8897090	0.92
1012.8694460	2.20
1016.1979980	0.82
1018.1835330	3.55
1019.9826660	1.65
1025.2996830	0.81
1026.5725100	4.40
1027.4804690	1.84
1028.4753420	0.19
1031.0692140	0.35
1031.7692870	0.53
1032.6972660	0.96
1036.8951420	0.35
1040.2963870	80.75
1041.2788090	15.17
1042.0053710	2.59
1042.9334720	1.57
1046.9600830	0.88
1049.7647710	2.72
1050.7011720	4.44
1051.6778560	1.52
1055.3021240	0.57
1056.0395510	0.27
1057.0053710	1.65
1057.6931150	0.92
1060.2243650	6.39
1060.9974370	1.13
1070.6512450	0.41
1074.2893070	1.04
1075.4223630	0.47
1077.7106930	0.80
1079.7434080	0.74
1081.8530270	6.97
1082.7954100	9.26
1083.6145020	0.45
1084.8527830	1.02
1090.3671880	0.35
1093.9035640	1.31
1097.1120610	0.88
1100.3120120	2.00
1103.8005370	0.65
1104.8812260	2.05
1106.7741700	0.23
1108.4274900	3.24
1110.5131840	1.35
1113.8945310	56.86
1115.1347660	10.75
1116.1322020	1.32
1116.8050540	13.91
1117.8344730	15.18
1118.7990720	1.82
1120.1254880	1.00
1120.8247070	0.27
1122.3040770	1.42
1125.4461670	0.47
1140.3178710	1.00
1140.9880370	0.78
1147.2420650	1.28
1149.0019530	1.12
1149.7370610	0.50
1152.7231450	0.32
1153.4819340	0.79
1156.4907230	4.99
1157.6979980	1.93
1159.1583250	1.10
1160.2890620	1.14
1161.3668210	5.46
1162.0302730	5.42
1168.7966310	2.96
1170.4418950	100.00
1171.4270020	17.61
1172.2944340	2.66
1172.9422610	2.54
1179.8945310	1.06
1180.6019290	1.54
1189.8753660	0.34
1192.8325200	0.54
1193.5781250	0.92
1194.7250980	1.39
1196.7253420	7.16
1197.7823490	14.90
1198.9875490	3.16
1199.8110350	0.27
1214.3978270	1.82
1215.9577640	0.65
1223.0661620	1.70
1223.9119870	0.91
1224.9501950	0.82
1229.7852780	1.46
1231.9765620	12.80
1232.8846440	12.97
1233.9833980	3.44
1235.1586910	1.72
1236.1334230	0.52
1237.3752440	0.21
1244.6912840	0.33
1246.6181640	0.31
1249.0080570	1.23
1250.0789790	1.17
1255.4606930	0.58
1293.9654540	0.47
1298.6011960	0.19
1300.6357420	0.53
1310.1374510	0.98
1325.7237550	0.79
1337.0299070	0.44
1338.8809810	2.19
1340.6949460	0.78
1348.1678470	0.31
1360.9075930	0.91
1370.9505620	0.47
1379.0972900	0.60
1383.8138430	0.93
1388.6499020	0.55
1395.1356200	0.59
1401.9180910	0.28
1418.7543950	0.84
1433.9251710	0.88
1437.2789310	0.33
1442.1062010	0.56
1453.2554930	1.23
1453.8970950	0.87
1456.1292720	0.65
1459.1011960	2.76
1474.7000730	1.31
1475.5924070	0.66
1491.0334470	0.78
1498.3775630	0.22
1515.3527830	0.66
1516.0645750	1.71
1517.2491460	0.70
1519.1566160	0.72
1552.7789310	0.37
1556.9393310	0.67
1595.0744630	0.23
1606.9615480	0.31
1621.8293460	1.10
1623.1075440	1.60
1639.7736820	0.41
1654.6719970	1.87
1662.8787840	0.25
1664.4732670	0.29
1670.0933840	1.01
1680.9143070	0.17
1698.2542720	0.21
1709.7161870	0.56
1717.2639160	0.64
1718.5582280	0.21
1720.2761230	0.21
1735.0242920	2.49
1736.2009280	1.32
1737.2183840	1.60
1738.3199460	1.58
1743.4050290	0.45
1752.9353030	1.00
1770.3704830	0.51
1778.7258300	0.27
1785.0706790	0.64
1791.6008300	5.98
1805.1628420	0.19
1807.9650880	10.82
1810.5002440	0.60
1824.9967040	0.68
1835.7135010	1.22
1839.1468510	0.81
1840.1558840	1.73
1843.0714110	0.37
1846.2677000	0.82
1846.9461670	0.21
1848.6691890	0.56
1849.8044430	1.22
1850.4124760	0.33
1851.3850100	1.39
1855.3728030	1.20
1858.5399170	0.95
1861.1745610	0.47
1865.5236820	12.43
1870.0855710	0.68
1872.1414790	1.06
1873.2088620	7.21
1874.0208740	3.38
1881.9376220	0.15
1883.0804440	2.47
1884.0086670	2.02
1884.7590330	1.41
1890.2634280	4.66
1891.4400630	2.51
1894.0638430	7.68
1896.2025150	2.28
1898.4810790	1.08
1900.1531980	0.29
1901.4056400	0.19
1903.6304930	0.44
1904.7678220	0.57
1905.7086180	0.45
1909.5072020	6.30
1910.8894040	0.69
1915.4312740	0.35
1916.5396730	2.34
1920.0093990	1.20
1921.2561040	0.32
1922.2862550	0.64
1929.2857670	0.31
1931.5233150	0.90
1933.2178960	7.31
1933.9152830	0.37
1937.7618410	8.71
1938.7147220	0.21
1944.9241940	4.73
1947.7474370	5.70
1950.0446780	0.38
1951.2595210	0.31
1952.8859860	0.47
1957.5872800	8.22
1960.4874270	0.80
1961.8482670	0.60
1964.9465330	1.15
1966.9925540	1.08
1967.6086430	0.27
1970.6149900	0.58
1973.9395750	15.35
1974.6960450	2.08
1975.8433840	46.59
1976.6412350	1.67
1977.2708740	18.31
1978.9621580	72.71
1980.0637210	3.21
1985.3724370	93.94
1986.4451900	3.57
1987.3703610	0.37
1988.0577390	9.32
1988.8272710	0.54
1989.5417480	3.14
1990.7059330	12.98
1991.7780760	1.06
1993.7254640	7.80
1994.3947750	0.30
1995.2908940	8.83
1995.9938960	6.34
1996.9151610	56.90
1997.7039790	5.51
1999.2381590	0.48
1999.8809810	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	613.16
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
198.9020233	0.08
208.7989807	0.09
288.4890137	0.68
305.3686523	0.32
320.1994019	0.08
322.3518066	0.10
336.9963379	0.26
355.1856689	69.24
355.7948608	0.24
364.1683960	0.13
390.9946289	0.19
409.2576904	2.81
421.2036743	0.81
451.1591797	0.25
466.2709961	5.05
484.1835938	100.00
538.2326050	2.35
595.3733521	23.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.84976196	0.62
96.99643707	0.43
107.9917679	4.17
108.9985886	8.62
112.9596939	0.65
119.537735	0.72
120.7240524	0.60
121.6362839	0.90
123.1244659	0.58
128.9700012	1.58
131.1903687	0.19
133.0697327	0.79
135.1751099	0.98
136.1236572	0.52
137.2868652	0.46
149.0422363	0.24
151.1794739	4.89
152.0379333	29.67
153.0249634	100.00
159.1743317	0.15
161.0946808	0.58
163.1353455	5.82
164.9269562	14.25
167.0266876	0.60
175.267334	0.61
176.9871979	3.11
179.0031891	2.23
181.1471863	4.76
183.2920227	0.21
189.169693	0.23
192.9045868	1.19
195.1363373	5.21
199.1546326	0.39
206.9623718	7.57
214.1133728	0.67
217.0719604	0.82
219.0181885	2.72
225.1859436	9.98
229.2891235	0.65
231.1508789	0.32
235.0295715	1.49
237.3062439	0.34
243.0196533	0.54
255.1037903	0.32
257.2641296	0.81
267.1622925	0.21
269.1224365	1.50
271.1470642	1.23
279.5540161	0.26
287.1965332	0.73
296.4842529	1.27
297.3588257	2.04
298.4647217	0.26
299.3042297	2.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	267.268
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
76.86270142	0.84
80.98604584	2.46
83.08181	8.80
92.96125031	0.91
95.00805664	15.07
96.97903442	18.71
109.0335846	23.15
111.1313019	13.56
119.1293793	0.71
120.9668121	0.84
123.0518341	18.77
124.8440552	2.40
127.1852264	0.84
135.1051941	1.99
137.0004272	20.32
139.0566864	4.60
151.1644135	22.33
153.0177155	9.31
165.0348358	10.33
166.7808533	5.37
168.954834	2.33
171.0353088	2.32
178.8573456	9.55
185.1147614	5.61
191.0474396	0.40
193.1118927	10.13
197.1854401	1.28
209.3145294	1.95
211.1017456	0.89
225.5657806	2.36
248.615036	6.55
249.2649384	100.00
251.1873932	1.02
269.2023315	1.31
270.0286865	1.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.02
Annotation	Unknow
Peak:m/z	Relative Intensity
81.1486816	0.01
108.8752289	0.02
146.1134338	0.03
166.1782684	0.05
220.0052948	0.05
221.0676880	0.03
223.9209747	100.00
225.1459808	0.01
237.1222076	0.02
241.7609863	21.85
243.2290039	0.05
244.1958618	0.01
247.4855499	0.04
265.0621338	0.09
273.0923462	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.9981766	0.59
94.8774109	0.34
98.9447327	0.17
100.9244385	0.76
102.0251923	0.14
107.9924622	6.93
108.9512405	9.98
110.0310364	0.60
111.0435104	0.13
112.8576279	0.19
119.0634842	0.10
120.9826965	1.84
121.9892807	0.30
123.0886230	0.77
124.1477509	0.14
128.1255493	0.13
129.0375671	0.04
132.9254608	0.46
133.8844757	0.29
135.0714111	1.90
136.1660767	0.54
136.9664764	0.12
143.0449219	0.11
144.5005188	0.21
146.9741211	0.06
149.0218506	0.10
151.0328217	5.24
152.0128174	41.11
152.9419861	100.00
154.0500183	10.68
159.2022858	0.04
160.9581604	0.74
163.0360413	9.35
164.0715485	1.21
165.0133057	12.63
165.9849854	1.42
167.1213684	0.12
175.1541443	0.18
176.0218201	0.09
176.9198914	2.14
179.0262299	2.11
180.0348969	0.76
181.1381226	2.70
182.1162109	0.56
186.1047058	0.08
187.1660767	0.08
189.0767059	0.60
190.0953674	0.21
191.1534119	0.76
192.0478973	0.12
193.1115723	1.31
194.3898010	0.53
195.0328522	4.09
195.9561310	0.36
200.9587708	0.81
207.0962830	4.32
207.9532166	0.16
208.9109497	0.23
213.0738831	0.20
217.1493835	0.26
218.1039124	0.16
219.1134033	0.75
220.1951904	0.23
222.9644775	0.05
223.7947998	0.04
225.0304260	6.89
226.0799866	0.64
227.3696899	0.09
228.1286316	0.33
233.1438904	0.26
234.9773865	0.07
236.9505310	1.07
238.0525818	0.11
249.1533813	0.27
255.1979980	0.07
257.2249146	0.11
261.0520630	0.09
267.2261963	0.33
270.0740051	0.57
271.0678101	0.39
272.3226624	0.57
273.5236511	0.14
277.9237061	0.12
279.1494141	0.08
279.9530029	0.05
287.7214661	0.08
297.1857910	0.40
298.2480469	1.27
299.0356445	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
98.92749786	0.51
109.0474854	1.34
110.9982986	0.39
114.0167694	1.22
119.2918549	1.10
121.137207	1.01
123.2520981	0.72
124.9128876	0.73
132.7223206	0.30
135.1185455	1.55
137.1484985	0.56
138.7513885	0.66
142.879425	2.13
149.1516724	0.21
150.8320312	0.60
152.9412537	0.73
155.0888367	0.82
157.0930786	1.17
160.8775024	0.47
164.8374634	1.59
167.0288544	2.77
169.2606812	0.78
171.0331116	0.92
179.1941833	0.99
181.2199554	0.60
183.0734558	1.55
184.0694427	0.46
185.0786896	0.64
186.7439728	0.66
188.1061707	0.41
189.3048706	0.23
191.096283	0.77
194.9552307	1.65
197.3083344	1.62
201.011322	0.73
209.2818909	1.06
211.2330627	2.66
212.350769	0.77
213.1364746	0.46
215.0597534	0.63
223.3330078	1.18
225.1447144	5.45
226.9960327	1.95
229.3074951	0.44
230.2301331	0.37
233.1920166	2.45
235.2774048	0.54
239.035614	1.81
240.1177979	0.71
241.2257996	0.72
242.5733643	1.44
247.130127	0.75
251.1591797	2.07
253.1400146	6.10
254.1853027	0.76
255.3267212	4.05
263.2929382	0.65
264.2449341	0.70
265.196106	1.57
267.1490173	2.48
268.206665	1.31
269.5860291	4.64
270.3457031	0.77
275.3480225	17.43
283.2834473	11.12
290.6246338	1.56
293.2059021	100.00
294.4102478	0.72
297.2911682	1.08
301.7426453	0.60
302.5722046	3.36
310.4482117	1.45
311.6113281	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2781
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
139.8742371	0.01
153.1056366	0.08
179.4447784	0.03
196.0204163	1.91
209.1104279	0.03
214.1429596	1.06
223.9826965	0.07
225.4990845	0.02
243.0345306	0.01
251.3677979	0.09
261.4123535	0.17
279.2705688	100.00
289.0625916	0.02
327.3787842	0.01
336.9328613	0.02
375.4816895	0.05
403.3854065	0.06
407.0694275	0.05
408.6773987	0.04
415.2980042	0.36
431.5666199	0.05
432.3478088	0.02
436.8804932	0.04
440.2254944	0.04
451.8919373	0.02
457.1429749	0.08
458.0303345	0.06
459.4342346	0.05
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
114.9854126	5.29
130.9743347	0.33
158.8938751	100.00
159.9873352	0.08
199.0119629	2.10
201.0151672	0.04
217.0375671	1.19
217.8851013	0.01
218.9505920	0.03
227.8329163	0.05
228.9974060	26.31
245.0203857	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2209
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
93.04299164	1.35
94.99076843	2.67
97.0186615	1.61
98.93580627	1.11
107.11763	2.75
114.8135223	3.41
118.9621506	0.78
135.1132507	3.16
139.2671814	2.48
148.6966553	6.82
150.9744568	2.46
155.1908875	2.56
157.1565857	4.49
163.3518066	1.11
165.1515503	3.13
173.1790009	0.79
177.5780334	3.50
195.1736755	2.55
196.9559174	6.41
200.7829437	2.23
211.1861267	1.80
213.5535278	1.77
215.3720398	2.26
223.1471252	2.18
225.0119934	2.80
231.3850098	1.64
233.0332336	4.75
234.7220154	7.68
235.3489685	1.36
237.1940613	3.21
251.4282837	3.21
253.1607666	3.24
255.2607727	1.20
257.1904297	6.90
267.2239685	1.53
269.1931763	2.96
269.9801331	1.51
275.3129272	21.61
283.3599548	1.57
289.799469	2.22
293.2209167	100.00
294.2766724	2.01
311.2567749	4.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	232.0827
Annotation	Hirsutin
Peak:m/z	Relative Intensity
113.0671082	0.18
115.9429779	6.11
127.6268463	0.11
138.9821472	0.13
143.1709137	0.06
152.1810455	0.06
154.2300110	0.06
170.3704376	0.04
172.0638275	0.35
187.3893890	0.10
188.0752106	1.19
196.1201630	24.06
214.0471802	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	834.9419
Annotation	Unknow
Peak:m/z	Relative Intensity
244.9478302	0.68
256.1761475	0.16
262.2712402	1.38
263.1827698	0.27
282.0072021	0.65
282.6251221	0.33
298.4755249	0.22
300.2943115	0.44
314.3114319	0.34
329.3316345	0.18
334.4002380	0.39
339.5080566	0.13
340.3710938	0.16
348.1338501	0.22
355.8062134	0.10
357.2636719	0.13
385.3199768	0.33
397.0482788	0.11
399.4334106	0.47
413.3969116	0.93
414.5563354	0.20
425.7026367	0.30
434.4291382	0.22
438.3810425	0.27
439.0704956	0.15
454.2343750	1.11
472.1415405	0.86
473.1210327	0.55
479.2600098	0.85
484.3703003	0.34
505.5498657	0.23
514.5177002	0.83
522.2347412	1.05
526.0108643	0.18
538.6289673	0.48
543.4387207	1.24
547.8972168	0.76
549.4436646	0.34
560.4996948	0.41
567.1197510	0.74
568.6565552	0.14
571.0499878	1.09
585.3574829	0.37
586.2020874	0.34
595.1242676	0.15
596.1952515	0.17
597.4381714	0.44
606.6166382	0.45
621.5866089	0.44
623.4688721	1.43
625.4309082	0.55
635.2576904	0.85
636.4264526	0.28
637.3482056	0.49
644.7650757	0.57
656.4579468	1.14
658.4464722	1.00
659.9466553	1.36
663.2088013	0.25
664.5620117	0.53
669.1317139	0.29
688.0868530	0.11
689.5955811	1.39
692.0628052	0.67
695.9173584	1.35
698.4666748	0.16
705.3806763	0.96
706.1046143	0.81
709.5783691	1.41
727.6147461	0.78
733.2380371	1.71
734.7835693	1.57
739.9653320	0.76
741.6958618	1.78
743.0585938	1.48
743.8837891	0.89
753.1338501	1.18
753.7597046	0.62
754.4213257	2.78
755.9827271	3.24
758.8006592	1.27
760.1181641	0.70
761.4723511	0.24
762.7345581	0.40
763.3677368	2.50
764.7727661	0.34
765.6678467	0.18
770.0073242	3.33
771.0023804	1.45
772.8356323	0.39
777.3695679	3.25
778.3744507	0.64
784.7611694	0.73
787.8215942	2.21
788.5534058	1.64
790.5342407	0.55
793.8771362	100.00
794.7770386	8.12
798.2926025	0.69
799.5042114	0.78
801.1948853	0.72
802.5700073	7.90
804.4984131	0.35
805.6007080	3.31
807.2001953	56.94
808.7072144	1.25
809.5587769	8.58
811.0391846	4.86
812.0188599	2.09
812.7084961	0.37
814.0365601	1.45
815.5664673	4.61
816.5687256	25.84
817.3798218	1.49
818.2843628	1.69
819.9608765	3.00
821.0116577	1.99
825.5850830	1.60
828.9845581	0.48
834.5355225	0.50
835.9417114	0.59
840.2387085	0.43
850.3482056	0.81
853.5910034	0.44
858.4313965	1.02
859.1251831	2.32
859.7650757	0.70
860.6655884	0.96
867.9047241	1.63
876.9224243	39.49
878.3114624	0.26
882.0592651	0.53
884.1658325	0.99
887.0994263	0.27
889.3938599	0.72
893.7551880	0.53
896.4837646	0.70
904.9099121	1.60
907.8618164	5.34
908.9496460	2.56
910.2843628	1.67
910.9082642	0.61
913.2776489	2.82
914.7169800	9.69
915.5029907	0.39
916.1892090	0.35
917.1135254	0.88
918.6360474	25.82
919.3836060	1.72
920.3587036	1.12
924.7659302	1.52
933.7293091	0.73
934.7453613	0.45
938.0075684	2.57
940.2907715	0.42
943.8083496	3.74
945.2702026	0.72
946.4262085	0.99
950.8081665	5.40
952.2023926	10.16
952.9585571	2.80
954.2868042	0.96
955.2712402	0.68
956.5280762	1.06
957.7494507	1.60
958.6527710	0.44
959.6170044	0.21
962.7815552	2.08
969.5290527	1.07
970.7272339	0.20
971.8941040	5.47
972.7719116	1.88
973.5475464	2.01
976.0903320	16.29
977.3217773	2.62
978.0505981	0.57
978.9967651	0.71
982.9070435	0.40
985.3945923	3.60
988.6989746	5.00
989.5764160	0.40
991.3952637	0.57
992.4529419	0.96
995.6965332	0.15
1006.2660520	0.23
1008.7089230	1.95
1009.7485960	2.77
1010.6245120	0.17
1011.4373170	1.13
1012.3512570	0.22
1014.4033200	16.26
1015.3873900	1.46
1016.0537110	1.98
1016.8600460	2.57
1017.5031740	0.63
1019.3715210	0.62
1020.5324710	23.05
1021.2089840	1.95
1026.4356690	53.81
1027.5419920	3.53
1028.9450680	2.07
1029.6853030	0.39
1031.4569090	4.22
1033.1923830	0.75
1034.1772460	1.00
1034.9628910	0.94
1037.2120360	7.55
1037.8161620	4.58
1038.4537350	0.12
1041.8591310	0.43
1043.3759770	40.85
1044.3319090	2.50
1044.9981690	2.83
1045.9472660	0.29
1047.2397460	0.96
1052.7785640	0.33
1064.9206540	4.46
1066.6169430	1.65
1070.0019530	0.81
1070.8214110	0.29
1075.8261720	7.70
1076.6708980	1.20
1078.0186770	0.45
1078.9437260	0.20
1080.4494630	0.59
1084.4239500	1.41
1088.4776610	1.63
1092.4895020	0.64
1093.8706050	0.69
1106.9656980	0.69
1108.7083740	0.44
1111.5179440	0.25
1115.6755370	7.29
1116.3608400	0.59
1127.4028320	0.45
1134.7521970	0.64
1153.9498290	0.59
1165.3145750	1.01
1166.0322270	0.33
1167.7309570	5.00
1168.3409420	0.09
1169.0676270	0.37
1171.8179930	0.78
1173.7945560	0.93
1185.4597170	1.14
1189.8787840	0.98
1205.5515140	0.44
1209.5122070	0.45
1217.8151860	0.55
1222.6896970	1.80
1231.7639160	0.36
1246.4379880	3.44
1247.0958250	2.03
1258.8660890	0.71
1268.9587400	0.32
1269.8848880	0.55
1272.3876950	0.56
1279.0063480	1.18
1279.8192140	0.53
1284.4443360	0.61
1292.0865480	1.05
1298.0682370	0.43
1322.3040770	0.37
1328.7469480	0.20
1339.5650630	0.35
1341.0179440	1.04
1343.0592040	0.40
1376.2982180	1.54
1377.4238280	5.19
1378.1005860	3.80
1403.0067140	0.42
1411.5596920	0.77
1419.5284420	0.33
1427.6424560	0.66
1433.8830570	0.37
1439.8685300	0.31
1445.4725340	0.71
1456.0623780	1.00
1457.3514400	0.43
1463.7009280	0.19
1525.7652590	0.39
1542.0101320	0.44
1553.4405520	0.18
1578.9620360	0.15
1584.3555910	0.22
1586.9134520	0.50
1601.0096440	0.13
1634.3153080	0.46
1635.0433350	0.10
1641.2814940	0.18
1642.5280760	0.25
1644.3820800	0.08
1663.6271970	0.25
1691.9724120	0.27
1708.7575680	0.33
1715.7257080	0.58
1721.1622310	0.17
1722.7946780	0.24
1727.1706540	0.21
1734.1833500	0.22
1737.4940190	0.11
1744.9719240	0.25
1748.1119380	0.43
1760.1409910	0.26
1762.5477290	0.11
1778.2213130	0.29
1790.4383540	0.29
1807.0173340	0.38
1808.2784420	0.27
1812.9772950	0.45
1813.7254640	0.15
1818.9276120	1.11
1819.8991700	0.67
1821.9014890	0.45
1832.1140140	0.15
1834.7097170	0.27
1837.1452640	0.28
1839.6901860	2.78
1841.4533690	3.23
1842.2581790	0.18
1843.2379150	1.72
1844.2847900	0.17
1849.7576900	0.75
1850.8206790	0.43
1852.9383540	0.37
1855.7205810	1.01
1858.3045650	0.85
1860.4854740	0.29
1862.2838130	0.33
1863.8571780	0.31
1868.3171390	0.30
1870.6394040	59.51
1871.9689940	8.05
1874.0543210	0.95
1876.8663330	0.44
1878.9460450	0.27
1882.3258060	1.69
1882.9884030	1.30
1886.6632080	2.43
1888.0655520	7.72
1889.3570560	0.19
1892.2982180	1.03
1893.6618650	0.62
1899.4801030	0.46
1902.8055420	1.99
1904.0070800	0.88
1905.6129150	0.32
1907.7667240	0.23
1909.5860600	0.70
1911.3287350	1.63
1912.0134280	0.07
1913.0792240	0.73
1914.1168210	0.35
1915.1466060	0.74
1916.0491940	1.30
1916.8765870	2.40
1917.9864500	1.59
1919.5319820	9.16
1920.5261230	0.83
1921.3206790	0.10
1923.0438230	0.28
1926.6026610	0.77
1927.3835450	0.13
1929.5642090	1.51
1931.3878170	0.27
1932.0733640	0.25
1934.5177000	2.70
1935.5101320	0.80
1936.7121580	0.59
1937.5284420	1.59
1938.3868410	1.51
1939.4620360	1.76
1940.1467290	0.19
1941.6036380	0.17
1944.3172610	0.90
1944.9293210	1.58
1947.7526860	0.20
1948.7336430	0.90
1949.4307860	1.17
1950.0386960	0.17
1951.6169430	1.61
1953.9440920	9.33
1955.5939940	78.53
1957.1080320	0.53
1958.3863530	0.40
1959.1824950	0.74
1960.7313230	0.23
1962.2379150	0.81
1963.5777590	0.15
1964.1873780	0.14
1965.1031490	5.46
1965.9801030	0.27
1967.9724120	1.36
1968.7137450	0.62
1969.6984860	3.39
1970.4058840	1.94
1971.4128420	1.58
1972.3493650	12.74
1973.0988770	3.48
1976.2789310	0.17
1977.3093260	2.51
1978.1695560	0.98
1979.0646970	0.39
1980.1335450	6.86
1980.8995360	1.33
1982.1193850	23.17
1984.8732910	0.59
1985.5657960	0.88
1986.6086430	15.54
1987.9776610	6.05
1989.1614990	0.92
1990.3005370	1.94
1991.1937260	8.10
1992.3645020	16.02
1993.8731690	0.82
1994.5670170	12.20
1995.3096920	3.25
1996.3596190	18.14
1997.2918700	1.75
1997.9774170	1.91
1998.7066650	34.49
1999.8503420	1.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
119.0266724	0.05
128.9069824	0.50
130.3742065	0.07
147.3400879	0.04
155.0637360	0.26
169.9729919	0.07
183.1774597	0.65
185.2222290	0.08
195.4004517	0.06
207.3217468	0.04
210.9729156	0.19
217.1109924	0.18
221.0585327	0.06
224.9060059	0.07
230.3382874	0.28
233.0529175	0.20
234.1661377	0.08
243.1777344	0.29
247.0101929	0.11
248.9862061	0.36
250.0125427	0.06
257.3515930	0.12
260.0951843	0.10
267.2831726	0.46
274.2194824	0.07
282.2270813	0.18
283.2273560	0.41
284.1960449	1.87
285.0219727	0.27
289.8936157	0.56
294.3711548	0.22
295.4067383	0.21
297.8749390	0.74
303.9564514	0.61
310.0711365	0.07
311.3461914	0.19
312.1366577	0.05
317.8256836	4.19
318.5217896	0.06
322.6430054	0.34
329.3628540	0.08
331.8055420	6.99
332.7686462	0.59
334.5417175	0.18
337.0801392	0.48
338.0364990	0.17
343.1547852	0.17
346.2964783	0.06
351.6266785	4.59
352.3698425	2.50
355.9638672	0.79
357.0628967	0.95
360.4209595	1.99
361.2824097	0.45
365.9032288	100.00
366.8334045	5.95
369.1504517	0.10
377.4554138	0.09
380.9172058	0.14
419.5256348	0.04
440.2240601	0.12
447.4075012	0.15
448.3064880	0.14
464.4898376	1.68
465.3332214	0.25
469.2693787	0.08
477.3477478	0.16
478.7142639	0.07
482.3435364	0.04
500.3626404	0.25
506.2505188	0.15
510.3591003	0.12
513.2321167	0.09
515.0332031	0.06
516.1828003	0.18
531.3211060	0.63
532.4694214	0.07
533.2297974	0.19
534.6820679	0.48
547.5420532	0.05
551.4016113	0.06
565.4271851	4.48
566.4185181	1.65
567.2770386	0.24
570.2434082	0.10
573.4174194	0.09
574.2919312	0.60
575.4179077	0.17
578.5698853	0.03
584.5050049	0.06
586.5078125	0.27
589.1768188	0.63
590.5890503	0.25
601.3229980	1.11
602.3958130	0.45
605.5329590	0.06
606.3705444	0.37
616.3821411	0.31
617.2437744	0.07
619.2035522	0.59
619.8550415	0.09
632.0516357	0.70
634.3855591	90.56
635.4119263	28.81
636.4730835	6.18
644.3759766	0.18
650.4692993	1.46
651.3953247	0.42
652.5712891	0.32
662.3968506	34.72
663.4370728	11.14
664.4561768	2.15
730.6780396	0.08
737.3489380	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	604.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
171.0746155	0.08
200.0676117	1.01
202.0242310	6.26
210.9488983	0.19
215.0009766	0.60
218.1660919	1.21
219.0780029	0.39
232.5549011	0.05
243.0237274	0.75
244.0344849	0.32
259.2510376	0.19
261.1409912	9.28
262.0542908	100.00
304.2491455	0.13
321.2773743	0.05
323.0658569	0.17
340.2705078	0.10
344.1419067	0.31
346.1932983	0.23
354.1760254	0.22
361.8842773	0.20
377.1701050	0.30
389.1426392	0.42
424.2901611	0.09
442.1856079	1.77
444.0335693	0.22
467.7701416	0.08
471.2443848	0.24
487.2217407	0.05
492.1552124	0.05
505.4526978	0.22
506.1172485	0.64
543.5585327	0.10
558.0675049	0.04
560.2289429	0.26
566.3757324	0.13
567.3435669	0.63
568.4323120	0.11
585.3458862	0.44
586.5347290	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
58.9025154	6.19
61.0538559	0.68
67.0305786	0.17
69.0708923	0.40
70.9148941	2.57
81.0334168	0.61
83.0096588	0.34
84.9981842	90.56
86.9148865	13.39
92.9863892	56.85
96.0446014	0.55
99.0195923	4.66
109.0374146	16.25
111.0810852	32.20
112.9179993	1.20
114.9282990	2.18
126.9430695	100.00
128.9065094	1.27
137.0041351	2.52
142.9614868	2.91
144.9085236	0.63
153.0213470	6.94
155.0836945	9.60
171.0901184	25.88
173.1179962	72.67
191.2978363	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	357.11
Annotation	11-Acetoxy-2-bromo-3-hydroxy-beta-chamigrene
Peak:m/z	Relative Intensity
117.2775040	0.14
118.9362259	0.23
135.1671600	0.61
137.0517731	0.80
145.0547485	5.04
145.8393097	1.43
147.0639648	2.66
156.9263916	0.55
162.9418640	100.00
164.0278931	45.63
165.0390625	62.66
183.0044861	0.23
193.9549255	0.12
201.0245361	0.43
214.5092163	0.42
215.1874084	0.54
215.9186401	0.73
216.8112793	1.28
219.3351440	0.15
230.1941223	0.37
256.3532715	0.18
260.2504883	0.20
276.9919434	0.49
283.1352234	0.45
283.8163452	0.20
311.1219177	1.57
313.4619141	1.19
315.2134094	0.30
321.2930603	0.34
325.2494812	0.55
333.9530334	0.40
339.2820129	1.46
340.1548462	0.78
347.3020935	0.81
348.0864563	1.25
369.7816467	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1033.11
Annotation	Unknow
Peak:m/z	Relative Intensity
270.2444458	0.92
443.9592590	0.89
569.5274658	0.32
963.2738037	1.45
973.4067383	0.36
974.4526367	0.58
976.3403320	1.93
1003.6453860	4.83
1017.0740970	1.38
1017.8413090	1.78
1122.8957520	5.00
1146.6231690	7.51
1167.8441160	27.99
1185.3162840	1.15
1192.8035890	10.73
1196.5056150	48.49
1201.1586910	1.62
1218.6634520	4.70
1373.8394780	7.03
1408.4681400	5.11
1419.0494380	0.51
1436.9937740	3.82
1499.9460450	0.62
1576.1658940	0.62
1602.7698970	1.67
1650.9450680	2.31
1656.8845210	0.32
1657.8923340	0.80
1675.9239500	0.55
1685.1217040	0.58
1692.9559330	0.50
1694.4586180	0.58
1698.2227780	0.58
1699.7808840	0.39
1702.8734130	0.43
1705.4328610	0.51
1707.8907470	0.55
1717.0723880	0.43
1729.3060300	0.62
1730.8254390	0.39
1735.8781740	0.54
1741.3038330	0.36
1747.3752440	1.37
1755.5142820	2.25
1757.4816890	0.36
1760.5020750	4.03
1761.4832760	0.47
1765.7111820	0.64
1772.0773930	0.43
1772.8314210	4.34
1773.7713620	4.00
1776.5046390	21.10
1781.3704830	2.11
1782.6905520	0.66
1786.2355960	0.62
1790.3299560	1.15
1792.3474120	0.43
1794.1096190	0.82
1795.8005370	1.40
1810.4099120	0.55
1811.5128170	4.55
1812.4737550	0.39
1814.2106930	0.56
1816.8673100	0.55
1818.1727290	1.80
1820.3265380	0.42
1821.6500240	1.41
1824.1086430	0.96
1835.2147220	1.71
1836.5406490	3.86
1837.6727290	0.40
1841.1579590	0.57
1847.1534420	1.79
1849.0289310	27.44
1851.2357180	16.27
1852.1883540	1.08
1854.4503170	28.85
1855.4173580	6.06
1856.7625730	0.28
1858.5301510	0.47
1861.5677490	0.74
1862.1853030	1.15
1863.5578610	0.39
1865.5928960	14.12
1866.5106200	22.58
1867.6960450	0.62
1868.9991460	3.02
1870.1368410	3.21
1872.1727290	49.12
1873.4163820	0.84
1874.0989990	0.66
1874.7922360	0.71
1875.4304200	1.04
1876.0980220	1.61
1876.7287600	1.78
1878.3277590	0.74
1880.8254390	1.63
1881.7789310	0.47
1882.9095460	7.54
1883.6647950	4.09
1884.2731930	3.01
1885.5426030	10.51
1887.1383060	1.32
1889.0572510	6.91
1889.7015380	0.65
1890.6517330	0.47
1893.6561280	11.86
1894.4918210	2.31
1895.7891850	6.42
1896.5700680	1.00
1897.5656740	0.93
1898.4063720	1.63
1900.0511470	0.71
1900.8713380	0.58
1901.9680180	4.41
1904.7346190	2.13
1908.3748780	1.89
1909.5965580	7.15
1910.2152100	77.16
1911.6309810	0.91
1912.4143070	1.02
1913.3768310	1.15
1914.5301510	5.49
1916.3851320	11.48
1917.9426270	1.39
1919.4768070	1.41
1920.8273930	0.81
1922.4982910	1.06
1923.2233890	0.55
1924.6549070	0.66
1926.1961670	21.47
1927.7541500	1.14
1929.4898680	2.61
1932.2487790	4.85
1933.4908450	4.64
1935.3831790	35.42
1937.0119630	7.95
1939.0753170	20.82
1939.7701420	19.91
1940.7061770	5.60
1941.5562740	1.31
1942.2531740	17.86
1943.5223390	3.09
1944.9992680	4.25
1946.1521000	4.78
1947.3533940	0.72
1949.1184080	0.47
1949.9461670	12.82
1950.7708740	2.87
1951.5565190	2.67
1953.3581540	6.05
1954.1700440	19.41
1955.1979980	13.37
1956.6429440	12.73
1957.6873780	15.80
1959.2559810	2.86
1960.1247560	12.52
1962.3052980	3.33
1963.0133060	1.29
1963.9564210	10.89
1965.2463380	3.92
1966.1589360	27.92
1967.7772220	13.43
1969.2662350	3.46
1970.4847410	0.62
1971.2327880	2.83
1972.8146970	11.46
1973.8858640	2.70
1975.4014890	9.00
1976.9739990	15.30
1977.7589110	53.66
1978.5959470	0.52
1979.5816650	5.35
1980.7445070	7.51
1982.0579830	100.00
1982.8648680	6.43
1984.1832280	0.76
1984.7883300	1.93
1986.5435790	6.21
1987.6638180	19.36
1989.4484860	36.19
1990.1898190	1.61
1990.8884280	1.93
1992.5178220	9.16
1993.8469240	17.17
1994.6638180	11.44
1995.4454350	1.97
1996.3199460	2.47
1996.9876710	13.33
1997.8044430	2.02
1998.5242920	26.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0764
Annotation	Glutathione
Peak:m/z	Relative Intensity
86.9321594	0.02
99.0916901	0.26
100.1252594	0.02
102.2807388	0.05
115.0888901	0.02
115.9486237	0.16
119.8841553	0.17
123.1185684	0.02
124.9539642	0.13
125.9350967	0.15
128.0926514	10.57
130.0673676	0.07
132.8748932	0.05
133.9086304	0.04
135.1057129	0.09
140.9587097	0.04
143.0972290	10.03
143.9571686	0.05
145.2361145	0.13
145.9892578	0.86
153.1276550	0.11
159.9974060	11.83
166.3852539	0.17
167.1515045	0.70
169.0328064	0.07
169.8841400	0.03
171.0207825	0.83
177.0392609	9.07
179.1381531	9.71
185.1135406	0.99
193.0026550	0.06
197.0968628	1.86
199.8941040	0.08
201.2077332	0.02
210.1712646	5.12
211.2875671	0.09
213.0653687	2.51
213.6750183	0.01
215.2098694	0.07
218.1594849	0.13
224.0155640	0.02
226.2128296	0.06
228.1584778	0.81
231.1681213	1.08
236.2379456	0.49
237.2225952	0.05
242.2418823	1.10
243.9640503	0.22
254.1322937	100.00
260.1278687	0.05
270.2524719	0.11
272.1494446	99.54
286.4541016	0.08
288.1142578	64.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	831.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
302.5500793	0.40
307.6455994	0.72
310.4956665	0.09
344.3059692	0.37
354.5883789	0.12
381.2540283	0.30
384.5387573	0.06
415.6843872	0.09
422.4961548	0.38
428.4473267	0.15
477.5398560	0.10
500.2186279	0.54
504.5879517	0.18
511.9213257	0.15
529.3765259	0.99
545.7420044	0.21
553.7781372	0.41
582.6129150	0.22
594.6138306	0.12
603.3087769	0.29
617.3019409	0.28
634.5637207	0.30
669.0308228	0.15
701.8311157	0.29
708.3249512	0.77
715.6165161	0.18
722.2988281	0.31
729.9047852	0.57
733.5112915	0.71
751.8236694	2.69
775.5529175	0.23
802.1953735	0.18
803.9875488	0.16
806.5278320	0.94
810.0787964	1.96
813.0872192	0.15
816.9747314	0.86
837.3612671	0.46
855.7302856	0.30
857.4075928	0.43
892.8413696	1.84
906.7537231	1.52
911.3002930	1.02
919.5332642	0.24
929.3183594	1.23
930.5664673	1.54
932.0120239	1.09
935.4689331	0.29
956.7241821	0.11
960.0217285	0.20
967.3538208	0.61
968.7434082	0.09
972.9113770	8.96
973.5327148	0.67
976.1084595	0.67
978.7051392	5.87
986.5464478	0.17
1001.8233030	1.19
1006.5203250	1.05
1056.7255860	1.36
1075.0662840	1.59
1077.6447750	0.15
1081.3339840	0.30
1108.4233400	0.93
1140.6226810	2.14
1142.4609380	0.30
1159.0576170	0.21
1185.0729980	0.33
1208.7875980	0.46
1236.6729740	0.55
1238.7058110	0.88
1280.9687500	0.35
1385.2452390	0.16
1499.3746340	0.11
1555.4337160	0.24
1643.7595210	0.09
1648.9660640	0.36
1662.7518310	0.16
1667.0231930	0.14
1679.3702390	0.11
1774.2374270	0.15
1779.9588620	0.36
1782.2484130	0.14
1786.1795650	0.09
1793.1550290	0.11
1803.8687740	0.12
1806.1920170	0.95
1811.4962160	0.11
1817.9421390	3.99
1818.7614750	0.29
1821.5081790	2.42
1845.1813960	0.12
1846.4952390	0.09
1848.0838620	0.32
1849.3859860	0.17
1854.9436040	0.70
1859.0509030	1.96
1860.9997560	2.24
1864.4515380	5.19
1869.7933350	0.40
1871.6456300	0.28
1872.8225100	0.68
1873.8991700	0.13
1878.0954590	5.81
1879.6510010	2.80
1880.4212650	1.51
1882.8903810	1.07
1883.8133540	0.08
1884.4166260	1.32
1885.9144290	0.52
1887.9377440	3.25
1888.5406490	0.09
1890.1951900	1.60
1891.6217040	0.68
1895.6163330	1.39
1897.2091060	0.11
1901.2932130	1.90
1904.5441890	0.12
1907.5240480	0.30
1911.4727780	1.12
1913.2886960	1.26
1915.5725100	4.70
1916.8912350	0.60
1921.7810060	0.37
1922.6397710	1.00
1930.4949950	1.96
1932.1378170	1.01
1932.9952390	3.18
1937.5305180	0.67
1938.7113040	3.82
1939.6081540	0.06
1941.8917240	0.48
1942.9710690	4.17
1944.3326420	3.80
1947.7137450	2.66
1949.2301030	0.34
1954.5992430	7.51
1955.2506100	3.11
1956.1901860	0.35
1956.9859620	0.40
1958.1011960	14.87
1958.7023930	0.75
1959.3067630	1.27
1959.9383540	1.26
1960.7720950	0.23
1961.3968510	12.24
1962.3353270	0.50
1963.7103270	20.47
1964.9415280	18.40
1966.5593260	0.18
1967.3601070	0.33
1968.8283690	100.00
1970.7679440	0.41
1972.5135500	1.01
1974.7598880	0.60
1975.7951660	0.11
1976.8631590	9.41
1977.5899660	0.17
1978.4156490	0.64
1980.7443850	0.17
1981.8763430	14.94
1983.3853760	0.43
1985.1531980	39.12
1986.0104980	0.12
1986.8762210	2.40
1988.2740480	2.87
1989.3264160	1.35
1990.8262940	1.53
1992.0303960	1.73
1992.6639400	15.06
1995.4227290	2.57
1996.0570070	24.52
1996.8204350	12.20
1998.6710210	13.07
1999.4625240	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
104.0138702	2.47
132.9537506	8.88
149.9474792	100.00
150.5727234	0.18
175.0460358	0.61
192.9557800	0.67
322.9775391	0.30
324.3017578	0.28
325.0415955	0.21
327.3178101	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1058.6967
Annotation	Unknow
Peak:m/z	Relative Intensity
316.1895752	0.10
375.0582275	0.16
383.1782532	0.18
401.3376465	0.07
419.5537109	0.20
427.7554016	0.20
435.0776672	0.31
447.4144897	0.53
486.2958679	0.37
498.6871948	0.16
506.2686157	0.64
514.3354492	0.48
577.5585327	0.21
597.4989014	0.22
615.5270996	0.19
639.0123901	0.14
687.3461914	0.16
710.2419434	0.13
771.2943115	0.12
799.4903564	0.16
806.6267090	0.28
824.1199951	1.09
866.9132080	0.15
901.3126221	0.61
903.3187256	0.38
927.6859131	0.21
935.8173828	0.73
936.4248047	0.23
952.0074463	1.34
955.6453857	0.38
961.1333008	0.12
963.6674805	0.08
964.4545898	0.69
968.8790283	1.59
970.0931396	1.09
973.3641357	0.41
979.6164551	0.53
982.1506348	2.08
983.1184082	0.64
984.3300781	0.95
985.5203857	0.28
987.1469727	0.14
988.9892578	3.80
989.9193115	0.09
990.8970947	0.96
992.0173340	1.32
993.7635498	7.30
994.5654297	2.33
995.3208008	1.61
996.6788330	1.75
998.5748291	3.72
999.2148438	0.69
1000.9013670	1.01
1001.8793950	1.06
1002.5446780	1.88
1004.5821530	0.67
1005.6444090	0.67
1006.4713130	1.53
1007.5933840	0.33
1008.2812500	0.22
1008.9591060	1.36
1010.5871580	2.13
1011.5390620	2.04
1012.2055660	2.89
1013.0168460	1.02
1014.6845700	3.86
1017.6719970	2.61
1019.3359380	8.92
1020.2485350	1.55
1021.9670410	15.25
1023.1640620	6.49
1023.9653320	4.07
1024.9329830	0.92
1026.0888670	20.21
1026.8028560	8.23
1028.4844970	0.80
1029.7307130	0.76
1030.8688960	15.98
1032.2072750	0.37
1034.3190920	2.39
1036.5466310	0.44
1037.6002200	1.52
1039.6895750	0.91
1041.3916020	4.66
1043.7011720	9.15
1044.4671630	2.07
1045.7473140	1.36
1046.5452880	4.02
1048.1765140	5.38
1048.9951170	0.82
1079.9061280	0.10
1084.2897950	0.98
1114.7932130	0.70
1130.1462400	0.65
1146.2531740	0.83
1148.8743900	0.58
1153.1147460	1.24
1169.2854000	0.17
1171.8664550	0.33
1179.4532470	0.82
1186.2968750	0.41
1188.9180910	0.18
1195.0954590	0.43
1196.2542720	1.07
1202.8627930	0.10
1203.7635500	0.15
1206.8386230	0.36
1209.7785640	0.68
1213.7126460	0.54
1215.3154300	0.90
1216.6669920	0.22
1217.8120120	0.73
1219.9926760	1.16
1221.1467290	0.66
1223.2897950	0.37
1224.3067630	0.37
1225.7867430	0.34
1227.4184570	1.35
1228.1772460	0.36
1229.2519530	0.83
1230.4531250	0.07
1232.2478030	1.59
1234.0578610	1.69
1234.7980960	0.50
1238.6434330	0.39
1240.3100590	1.06
1241.8935550	1.80
1244.1484380	0.67
1245.6251220	1.43
1246.6789550	2.08
1248.4237060	1.65
1250.1772460	1.80
1251.2684330	1.85
1252.2019040	1.76
1253.5334470	0.96
1255.3100590	2.94
1256.0151370	0.07
1259.3552250	0.52
1260.4438480	0.30
1262.1289060	0.78
1263.3048100	3.42
1264.0334470	0.25
1264.7934570	0.30
1268.1005860	0.66
1269.5373540	0.78
1272.6875000	1.89
1273.6394040	1.65
1274.4301760	1.59
1275.4055180	3.57
1276.5966800	1.49
1279.6689450	1.27
1280.5035400	3.25
1281.2431640	0.19
1282.2229000	0.65
1283.2590330	0.87
1284.2224120	0.61
1285.8203120	4.15
1286.7468260	7.50
1287.5225830	0.31
1288.6870120	1.59
1290.9162600	1.45
1291.9877930	1.87
1292.8366700	3.36
1293.8199460	1.97
1294.8627930	0.84
1295.5230710	0.83
1296.4306640	3.26
1298.2269290	1.03
1299.6041260	0.50
1301.5877690	3.05
1302.6696780	6.18
1303.6051030	2.80
1305.1728520	1.11
1307.5406490	3.67
1308.3863530	0.18
1309.7663570	0.85
1311.0610350	0.28
1311.9403080	4.28
1312.9882810	3.31
1313.9967040	2.64
1317.2646480	3.07
1318.5145260	5.08
1319.4947510	3.15
1320.1444090	4.99
1321.3028560	0.37
1322.1307370	1.11
1324.2382810	6.38
1325.4791260	5.13
1326.9008790	1.12
1328.2369380	2.85
1329.0523680	1.11
1330.3638920	7.58
1331.3739010	1.32
1332.1424560	0.43
1334.2235110	1.75
1335.1276860	3.59
1336.1844480	3.56
1336.8575440	2.24
1338.1445310	0.16
1339.2178960	0.80
1340.3958740	18.91
1341.2283940	9.19
1342.0306400	2.03
1343.1602780	1.58
1343.9141850	1.19
1345.2719730	0.54
1347.3480220	1.12
1349.6802980	3.58
1350.4132080	3.48
1351.3841550	1.15
1353.0701900	3.88
1353.9418950	0.96
1354.9014890	2.04
1356.2354740	4.13
1356.8751220	1.02
1358.9510500	4.08
1359.7249760	1.57
1361.8171390	11.86
1362.6210940	7.19
1364.2601320	6.40
1365.2055660	1.34
1367.4212650	12.39
1368.1922610	36.26
1369.0864260	1.81
1373.3218990	49.67
1373.9683840	100.00
1374.7583010	14.80
1376.1525880	0.77
1377.4652100	1.54
1378.1956790	0.46
1379.1751710	0.55
1379.8787840	1.03
1382.5797120	1.40
1383.6805420	0.27
1385.1224370	0.21
1387.9870610	0.90
1391.3824460	0.63
1392.7578120	1.33
1399.7218020	0.39
1406.4908450	0.79
1442.1280520	0.11
1453.0285640	0.43
1453.6870120	0.57
1458.2846680	0.32
1478.8950200	0.32
1486.3273930	0.22
1501.8321530	0.45
1528.8516850	0.14
1531.3988040	0.52
1546.6640620	0.18
1548.4490970	0.43
1550.6085210	0.26
1560.1506350	0.17
1571.1722410	0.69
1588.9317630	0.34
1595.9215090	0.13
1598.6594240	0.35
1602.3077390	0.43
1611.2950440	0.14
1621.8306880	1.02
1624.4060060	0.10
1627.0717770	0.24
1629.2139890	0.20
1632.1346440	0.19
1637.9168700	0.35
1640.1069340	0.43
1648.9426270	0.27
1651.3148190	0.12
1656.6829830	0.10
1659.7037350	0.29
1675.4801030	0.30
1678.3226320	0.42
1692.5179440	0.12
1701.8697510	0.26
1707.6553960	0.11
1719.8386230	0.48
1725.9581300	0.30
1727.3791500	0.61
1734.5826420	0.50
1735.4450680	0.12
1736.4302980	0.11
1738.7276610	0.18
1741.9475100	0.07
1745.0295410	0.08
1753.3961180	0.12
1754.3721920	0.19
1762.8048100	0.21
1764.5599370	0.12
1771.5690920	0.26
1780.0632320	2.23
1781.7429200	0.07
1787.4447020	0.32
1790.3176270	0.28
1792.3098140	0.73
1794.2677000	0.19
1805.1043700	0.21
1810.7771000	0.38
1817.0504150	0.39
1817.9865720	0.87
1819.2042240	0.47
1820.2056880	0.15
1822.9425050	0.19
1824.0491940	1.07
1826.1439210	0.47
1826.9161380	0.13
1829.4412840	0.69
1830.3140870	0.73
1831.7755130	0.31
1832.8753660	0.07
1834.1861570	0.61
1834.9996340	0.10
1836.6444090	0.59
1841.8551030	0.30
1843.7769780	0.15
1846.4542240	0.44
1847.4337160	0.07
1848.3695070	0.16
1850.6829830	0.62
1851.5894780	0.28
1853.2351070	0.08
1855.1735840	0.10
1856.1882320	0.24
1858.8317870	0.63
1859.7291260	0.25
1860.6173100	1.63
1861.5025630	1.30
1865.3289790	0.11
1868.1749270	0.15
1874.2731930	0.89
1875.2692870	2.34
1877.9305420	0.66
1881.8005370	5.65
1883.1228030	0.09
1885.1658940	0.56
1886.6994630	0.53
1887.7945560	0.10
1888.8548580	1.16
1890.1239010	0.52
1891.3630370	0.11
1892.4860840	0.08
1893.6179200	0.12
1895.0773930	0.97
1896.5438230	1.20
1900.3873290	1.48
1903.9654540	0.13
1905.1306150	0.76
1907.2198490	0.57
1909.9510500	0.07
1910.6032710	4.18
1912.0142820	0.07
1913.1735840	1.67
1914.4852290	0.18
1915.7292480	0.27
1916.3780520	0.32
1920.3160400	0.18
1921.8571780	44.80
1923.8649900	1.22
1924.9471440	1.17
1928.2795410	1.26
1929.5759280	0.10
1930.2740480	0.79
1931.8778080	13.37
1935.7351070	0.35
1936.7247310	44.27
1937.8104250	6.41
1940.9064940	0.21
1942.1086430	0.61
1943.3800050	1.05
1946.0528560	1.11
1947.5648190	3.79
1948.6104740	1.13
1949.6839600	0.70
1951.1451420	1.17
1952.6514890	0.52
1953.3680420	1.07
1955.0440670	2.34
1958.2308350	0.10
1960.8795170	0.15
1962.3216550	11.70
1963.0086670	0.12
1965.1221920	0.26
1966.2531740	0.61
1967.2213130	2.11
1968.1369630	0.11
1970.1324460	3.56
1973.6051030	0.46
1975.8825680	0.36
1976.5740970	4.41
1978.8967290	2.59
1979.8488770	0.34
1980.5125730	0.21
1982.3869630	0.38
1983.5369870	0.67
1984.4801030	0.29
1985.7266850	1.75
1988.3166500	0.94
1989.2777100	4.35
1989.9099120	0.72
1991.7669680	41.26
1993.7912600	72.83
1994.4245610	0.49
1996.2489010	0.82
1997.2814940	65.62
1999.2501220	12.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	458.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8495178	10.64
290.6989136	100.00
291.3435059	0.39
296.8890076	0.91
330.1801758	0.15
338.7966003	2.23
348.3012085	0.19
349.3302612	0.18
368.8271179	0.62
374.6947327	32.15
394.8473816	0.99
398.8140869	2.36
412.8696899	0.73
440.9522095	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1009.6578
Annotation	Unknow
Peak:m/z	Relative Intensity
306.2530518	0.31
307.1398010	0.55
324.9568787	2.30
360.0411987	0.13
436.3898315	0.28
475.7883301	0.95
604.4572754	0.96
653.3222656	0.24
684.2711182	0.20
717.4873047	0.16
879.3168945	0.35
880.6596680	0.69
888.2537842	1.23
895.5783691	0.89
900.4896240	1.02
902.7530518	0.32
912.9752197	1.48
925.8671875	3.00
931.5167236	3.77
936.9714355	1.79
941.9045410	1.90
943.5565186	0.69
948.6955566	3.41
949.6525879	0.56
951.7526855	1.17
955.5635986	3.36
957.2436523	1.66
957.9539795	1.06
959.6917725	4.57
960.3884277	3.84
962.3383789	9.10
963.1586914	1.78
964.6206055	1.39
966.7271729	26.31
967.4594727	5.35
968.5196533	0.22
969.8723145	1.59
974.8403320	0.38
976.2125244	7.63
980.9200439	3.45
982.7119141	6.54
984.6083984	12.09
987.1462402	19.90
987.9143066	4.29
990.1101074	1.62
991.5805664	100.00
992.4448242	1.01
994.8405762	3.49
995.4716797	3.08
996.5810547	1.41
997.3142090	5.88
999.3612061	2.55
1001.7315670	1.77
1051.6657710	0.97
1079.1069340	1.83
1104.0642090	1.26
1110.5023190	2.10
1121.2390140	0.37
1123.8203120	1.03
1132.5637210	2.15
1140.5234380	1.45
1143.8173830	1.97
1151.0571290	1.64
1156.9332280	2.10
1157.8416750	1.11
1163.0000000	0.37
1168.7039790	1.01
1171.7717290	1.20
1175.0168460	0.45
1176.8475340	5.36
1181.4436040	3.52
1182.4956050	1.05
1183.4675290	1.58
1189.1584470	0.93
1190.5487060	3.23
1194.6594240	1.89
1195.9814450	3.46
1198.1988530	2.21
1198.8664550	0.67
1201.4025880	1.45
1202.2534180	4.89
1203.7258300	1.72
1207.5134280	0.81
1208.2789310	2.81
1211.3764650	0.22
1213.5411380	7.35
1214.6141360	1.25
1216.5583500	0.80
1219.9260250	0.53
1221.4200440	1.83
1224.5646970	1.28
1225.8010250	1.24
1226.8969730	5.49
1228.8171390	1.11
1229.4261470	0.84
1232.3204350	0.40
1233.1521000	4.69
1233.8293460	4.12
1234.5949710	0.44
1238.7574460	26.24
1239.4051510	16.33
1240.2331540	2.08
1246.0913090	3.83
1247.3032230	1.03
1251.6318360	1.78
1252.7849120	3.22
1259.8218990	0.86
1260.5485840	4.86
1267.6018070	5.36
1269.8449710	1.48
1270.6984860	2.41
1272.0515140	5.91
1277.1828610	4.51
1277.9718020	6.16
1278.7261960	0.71
1282.3338620	5.50
1283.4738770	2.54
1288.3054200	3.52
1289.2446290	4.49
1295.2010500	1.10
1301.0737300	9.59
1301.7335210	5.80
1307.7778320	1.02
1309.4105220	0.33
1343.4855960	1.79
1371.3453370	1.47
1485.1282960	0.35
1490.3732910	0.49
1509.9224850	0.50
1534.1790770	0.71
1536.2736820	0.88
1582.7741700	0.41
1627.8321530	0.28
1638.8170170	0.63
1640.6639400	0.32
1658.5704350	1.48
1665.5985110	1.26
1684.9500730	0.21
1689.3986820	0.91
1706.2033690	0.46
1710.9256590	0.36
1713.9825440	0.31
1738.9890140	0.94
1744.7545170	1.28
1747.4338380	1.22
1748.9949950	0.63
1755.9772950	0.28
1762.8494870	0.68
1767.1173100	0.13
1771.5538330	2.57
1772.7923580	0.57
1787.1599120	0.22
1795.3410640	0.25
1797.4699710	0.51
1798.7854000	0.48
1800.8024900	0.23
1803.1199950	0.64
1806.2032470	0.48
1812.9031980	0.30
1815.0074460	0.19
1822.6805420	1.20
1824.4034420	1.19
1827.7448730	0.19
1828.4556880	0.67
1842.6760250	1.09
1843.3695070	0.13
1845.2030030	0.13
1846.0401610	3.87
1849.8303220	0.28
1850.7907710	0.38
1860.4533690	0.19
1861.5765380	0.33
1883.9298100	1.30
1886.6433110	0.29
1890.7354740	0.26
1897.3859860	5.24
1899.4205320	0.28
1900.5386960	1.05
1903.0643310	3.73
1903.9572750	0.23
1906.1968990	0.36
1909.7948000	0.14
1911.2141110	0.16
1914.2375490	1.40
1915.3376460	0.70
1917.0496830	0.17
1920.2551270	5.07
1922.5616460	0.36
1923.5577390	0.22
1924.5850830	0.13
1926.9132080	0.83
1927.7410890	0.71
1931.5284420	10.99
1935.4304200	0.30
1936.7591550	20.70
1937.4332280	0.18
1938.9451900	0.44
1939.9669190	2.44
1943.9050290	0.62
1944.8992920	0.39
1945.6330570	0.13
1947.1634520	10.09
1947.8997800	0.18
1950.2889400	0.26
1951.0020750	0.10
1951.9632570	3.63
1953.4273680	0.15
1955.4196780	0.89
1956.3995360	0.46
1957.4173580	2.21
1958.5738530	18.94
1961.2750240	1.07
1962.4582520	0.15
1964.3669430	0.81
1966.9685060	0.86
1969.9434810	0.16
1970.9377440	0.70
1971.5941160	0.53
1974.8248290	0.48
1976.4586180	0.16
1978.3861080	1.98
1981.1551510	5.74
1983.0277100	1.40
1987.2385250	0.32
1988.5520020	1.25
1991.3280030	0.55
1992.0155030	0.19
1994.3448490	0.53
1995.3385010	0.76
1998.5137940	1.54
1999.3333740	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	387.19
Annotation	L-Arginine
Peak:m/z	Relative Intensity
125.9349976	0.18
173.6556702	0.08
195.0010986	1.29
195.9886169	6.51
197.1800079	0.09
213.0525818	100.00
232.0686035	6.99
251.0597534	0.39
255.1712646	0.47
327.9738159	0.21
341.2217102	0.50
369.0597839	0.48
369.9609985	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
95.01650238	1.21
97.04646301	0.49
109.06987	1.28
116.8961487	0.53
121.0965576	1.12
122.9720917	0.58
125.1445465	0.41
127.0702438	0.56
129.0895081	0.32
135.366333	0.64
137.0126038	1.28
139.0587158	2.42
147.2095032	0.49
148.1367798	0.44
149.124054	1.02
151.2362976	0.58
152.9417419	0.78
161.188858	0.43
163.2267303	0.38
165.3328857	0.44
169.0028992	0.78
171.1122131	0.77
179.1282349	0.30
180.8011169	0.24
183.114212	4.63
185.2755585	1.39
193.133606	0.61
195.35849	1.15
197.07724	5.51
199.1880798	0.25
201.2588806	0.30
203.4472656	0.46
207.2618713	0.82
211.0574646	2.53
212.9159851	1.46
219.1382751	0.95
221.2973938	2.98
223.2694397	0.88
225.1289673	3.63
233.3097534	3.96
235.2355957	1.28
237.2159119	1.57
239.0909729	11.85
239.8530884	0.32
241.146698	1.76
243.1085815	3.26
251.1061401	4.75
253.3947754	1.57
254.8359375	2.79
255.6106567	5.21
257.2486572	1.27
261.1816101	1.88
269.3272095	0.20
274.045105	0.25
279.2366943	100.00
282.0651855	0.95
288.2236633	2.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	651.3046
Annotation	Macrostemonoside C
Peak:m/z	Relative Intensity
338.0687256	0.03
471.4216309	0.03
507.6033325	0.04
508.6407471	0.03
525.0452881	0.15
573.3106079	0.06
583.6300659	0.04
605.8020020	36.84
606.6270752	0.11
609.0264282	0.19
628.6148071	100.00
629.3110962	0.31
630.0177612	0.03
631.3253784	0.04
634.6867065	0.08
637.2604370	0.03
646.3361816	0.19
723.9652710	0.02
769.9471436	0.02
770.9065552	0.03
885.5004272	0.02
904.3576660	0.01
1049.8433840	0.05
1050.6174320	0.11
1065.6149900	0.10
1142.6252440	0.02
1211.7103270	0.20
1212.6954350	0.57
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
212.9641571	1.47
280.2990723	0.11
296.8495483	15.79
323.1965942	7.19
335.9978027	0.06
366.7121582	0.05
378.4951172	0.13
380.6667480	71.97
381.3442383	0.23
462.2880859	0.52
464.5371704	100.00
465.3493652	0.14
502.0210571	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1038.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
297.4536133	0.05
306.1521912	0.31
321.9069824	0.30
324.7274170	0.25
329.1082764	0.14
366.9032898	0.27
382.0144653	0.13
425.1438904	0.06
470.2306519	0.10
487.5816040	0.19
502.4289551	0.13
520.4577637	0.28
538.2645264	0.17
539.6148682	0.10
546.4182129	0.26
550.1135254	0.11
596.4071045	0.09
603.6935425	0.09
649.4058838	0.36
667.2298584	0.08
691.0672607	0.18
699.2918701	0.12
734.5403442	0.10
745.7328491	0.18
786.4736328	0.12
796.6412354	0.14
811.2940674	0.53
819.5953369	0.35
824.9011230	0.40
846.4898682	0.04
847.9501953	0.44
903.1032715	0.10
905.3310547	0.32
921.9741211	1.15
923.3736572	1.09
934.5007324	0.14
936.3491211	0.15
942.1622314	0.26
943.6763916	0.23
945.5898438	0.31
946.2264404	0.07
948.0040283	0.34
950.3527832	0.65
954.7086182	1.92
955.6380615	0.05
959.0971680	1.94
960.0637207	0.44
963.7387695	0.06
968.8493652	1.25
969.8265381	0.31
972.6489258	0.87
973.2597656	0.27
974.1494141	1.20
975.2333984	0.71
977.0554199	0.38
979.0698242	2.67
980.1052246	0.38
981.2113037	0.54
981.9843750	0.84
983.4561768	3.85
984.0891113	0.04
984.8696289	0.15
986.2022705	0.64
987.6314697	2.76
988.2362061	1.25
990.9755859	0.40
992.5881348	0.98
994.4223633	2.04
996.0134277	0.11
997.0599365	0.90
998.4909668	1.37
999.5791016	0.97
1000.7291260	1.55
1001.4443360	9.48
1002.6401370	0.26
1003.4487300	2.05
1004.2343750	0.07
1005.7341310	17.09
1006.8254390	0.80
1007.9809570	0.52
1008.8005370	0.12
1010.2146000	23.75
1011.4525150	0.15
1012.6484380	1.63
1013.6733400	1.12
1014.4235840	0.37
1016.0573730	0.49
1019.4875490	0.35
1021.1311040	0.77
1023.1326900	0.78
1025.6152340	0.60
1026.6276860	0.29
1027.4129640	0.54
1029.3820800	0.07
1049.0880130	0.07
1051.4614260	0.36
1091.7536620	0.04
1097.3933110	0.08
1098.2277830	0.49
1103.7445070	0.12
1108.7753910	0.19
1117.9747310	0.22
1118.7302250	0.10
1134.6879880	0.57
1140.1484380	0.15
1141.1966550	0.77
1143.4453120	0.38
1145.6129150	0.12
1147.1314700	0.17
1149.7851560	0.41
1152.7669680	0.50
1154.9072270	0.20
1155.6030270	0.11
1156.7004390	0.39
1157.4982910	0.42
1159.0834960	0.10
1161.0664060	0.27
1165.4770510	0.24
1173.4484860	0.31
1184.7984620	1.30
1186.2624510	0.67
1187.2871090	0.29
1190.2087400	2.15
1190.9150390	1.32
1191.9774170	0.27
1193.6875000	0.88
1196.4809570	0.09
1198.0850830	0.49
1200.3170170	1.57
1201.2761230	0.80
1203.3591310	0.21
1206.6632080	0.67
1207.7290040	0.39
1209.3078610	0.48
1210.2260740	0.25
1214.0616460	0.63
1219.9709470	0.22
1221.2268070	0.28
1222.0197750	0.33
1222.9660640	1.68
1223.7718510	0.44
1226.2700200	0.04
1228.7128910	3.78
1229.4694820	1.26
1231.1038820	0.11
1232.0773930	0.14
1232.6864010	0.31
1234.8234860	0.92
1235.7501220	0.95
1237.6020510	1.37
1238.9937740	1.91
1240.4948730	1.43
1241.1030270	0.27
1241.9179690	0.63
1242.6834720	1.39
1243.7626950	1.16
1244.5009770	1.91
1245.1552730	1.17
1245.9848630	0.37
1246.7508540	0.24
1248.4255370	1.10
1249.1594240	0.86
1250.2531740	0.75
1251.5483400	0.56
1252.3166500	0.20
1254.3713380	1.15
1256.4573970	1.04
1257.2525630	0.38
1257.9091800	0.60
1260.3890380	0.59
1262.0571290	0.46
1263.2961430	0.28
1264.3874510	0.23
1266.7436520	1.36
1267.6138920	0.61
1268.8798830	2.65
1270.7554930	0.28
1271.6517330	1.47
1272.7353520	5.67
1273.5581050	2.45
1274.3021240	1.08
1275.3836670	2.28
1276.8857420	1.76
1278.0263670	4.40
1278.6431880	11.05
1279.3121340	2.38
1280.1856690	0.96
1282.1290280	0.45
1283.1929930	12.54
1283.9475100	0.88
1284.9951170	1.01
1286.3319090	1.15
1289.0822750	0.83
1290.0361330	0.98
1291.1700440	0.12
1295.3356930	0.69
1296.8145750	2.00
1297.7211910	1.47
1299.4202880	0.52
1300.2470700	0.24
1301.2210690	0.15
1302.4985350	7.10
1303.2983400	1.99
1305.1927490	2.34
1308.5200200	10.19
1309.1549070	5.69
1310.4893800	1.32
1311.5142820	2.25
1312.1302490	0.35
1312.9177250	0.34
1313.5654300	0.40
1314.2093510	0.33
1316.8657230	22.86
1317.6270750	0.89
1320.0954590	0.11
1321.7969970	0.80
1322.5052490	0.11
1325.5408940	0.96
1328.8488770	0.88
1329.7658690	0.57
1331.2224120	0.52
1331.8449710	1.67
1332.8317870	0.51
1334.6165770	6.41
1335.5327150	0.61
1337.0316160	1.59
1337.8270260	1.05
1338.7695310	0.16
1340.5859380	19.49
1341.3197020	5.97
1342.8494870	0.15
1344.3675540	1.28
1346.5963130	100.00
1347.8208010	0.77
1348.8411870	0.56
1350.1114500	1.34
1351.2056880	0.66
1352.5740970	0.50
1354.0233150	0.29
1400.3726810	0.28
1409.1644290	0.22
1433.4705810	0.08
1443.4747310	0.28
1444.3105470	0.14
1445.6860350	0.06
1453.8355710	0.06
1469.4876710	0.30
1472.4085690	0.32
1477.7149660	0.26
1485.9017330	0.99
1487.2308350	0.27
1492.3919680	0.12
1504.9361570	0.05
1511.8342290	0.06
1517.0140380	0.21
1519.5477290	0.05
1538.3912350	0.08
1540.1109620	0.16
1555.9615480	0.20
1568.9764400	0.06
1575.0317380	0.15
1582.9364010	0.48
1585.9573970	0.38
1609.8754880	0.12
1611.5709230	0.39
1621.7686770	0.11
1624.9571530	0.15
1632.1437990	0.36
1633.8587650	0.32
1637.3526610	0.08
1642.6563720	0.06
1648.4718020	0.11
1649.3840330	0.39
1652.8011470	0.07
1660.8026120	0.18
1668.4703370	1.20
1672.9437260	0.21
1676.2540280	0.09
1678.2235110	0.14
1689.9113770	0.09
1698.7711180	0.43
1699.9068600	0.19
1702.8472900	0.11
1704.8162840	0.30
1705.7117920	0.24
1708.5911870	0.61
1717.4973140	0.19
1727.9232180	0.29
1732.2581790	0.16
1733.2115480	0.25
1741.4323730	0.50
1742.2486570	0.19
1753.5699460	0.64
1756.5251460	0.22
1764.5128170	0.19
1770.7023930	0.06
1775.8914790	0.63
1782.8298340	0.23
1784.4943850	0.46
1785.1389160	0.22
1785.8912350	0.24
1787.8653560	0.06
1792.4899900	0.18
1793.8259280	0.27
1795.2781980	0.37
1801.1385500	0.57
1806.7686770	0.11
1810.9816890	0.26
1812.0080570	0.42
1816.9935300	0.13
1817.6768800	0.29
1821.6447750	0.07
1822.5509030	0.03
1826.5905760	0.19
1829.1368410	0.09
1829.9812010	0.30
1833.1506350	0.22
1837.1866460	0.29
1838.4486080	1.06
1839.3382570	0.12
1840.1623540	0.25
1844.5208740	0.04
1845.1638180	0.15
1846.3201900	0.19
1847.2674560	0.10
1848.5827640	0.06
1849.2413330	0.19
1852.4714360	0.11
1857.7047120	0.13
1865.5206300	2.92
1866.5701900	0.21
1867.2102050	0.48
1869.9099120	0.25
1873.3371580	0.65
1875.3680420	0.30
1876.7634280	1.00
1880.4700930	0.06
1881.2878420	1.65
1884.1939700	0.13
1885.4193120	0.35
1886.3815920	0.06
1896.3253170	3.82
1898.2442630	0.13
1902.0831300	0.68
1903.1505130	0.41
1909.0411380	0.18
1910.5828860	0.06
1912.1639400	1.63
1914.5430910	0.13
1916.1632080	0.05
1918.5325930	0.83
1920.9431150	0.08
1925.2122800	0.06
1925.8372800	0.28
1927.6905520	0.22
1928.7410890	1.88
1930.7985840	0.43
1932.6491700	0.14
1933.9105220	0.36
1935.6031490	0.96
1938.4102780	0.08
1943.2315670	0.08
1944.5584720	0.43
1945.6895750	1.18
1946.4786380	8.88
1947.1485600	1.42
1948.7623290	0.57
1951.0950930	0.14
1955.3785400	0.11
1956.5906980	3.33
1958.0866700	0.81
1961.8182370	0.29
1963.8034670	0.08
1967.8170170	0.49
1969.2103270	3.36
1971.2160640	0.12
1972.8923340	0.09
1973.7736820	0.15
1975.5573730	0.31
1976.2961430	4.29
1976.9979250	0.11
1979.0256350	1.72
1980.1292720	0.11
1981.0404050	0.29
1982.0809330	0.13
1983.3029790	0.11
1984.5909420	0.32
1985.2198490	1.98
1986.0870360	0.38
1986.7325440	1.63
1989.2652590	0.19
1990.1048580	0.07
1993.7528080	1.24
1995.1944580	0.14
1996.8909910	0.11
1998.2297360	0.25
1999.0480960	1.43
1999.8596190	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	559.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
163.0244293	13.15
163.9244080	1.46
188.0091248	1.44
205.1412048	1.45
213.2827454	0.08
215.0915527	0.09
279.1080627	0.09
283.1307373	0.14
308.2206421	0.19
319.1422119	0.12
327.0480957	0.08
337.2801514	0.50
354.9491577	20.37
356.0203857	1.99
356.9172363	0.08
363.1921387	0.12
373.2614136	0.15
374.8718262	0.16
381.6433716	0.10
382.4322510	1.41
385.2660522	0.38
408.7144775	0.08
409.3686523	0.08
410.2722778	0.24
426.2632446	0.18
464.4106445	0.19
478.3726196	0.25
479.2955933	0.36
487.0562744	0.13
512.2883911	0.21
540.9323120	0.07
541.6870117	0.11
558.8983765	0.05
570.2783813	0.25
571.1381226	3.20
572.0461426	1.26
573.2428589	0.22
584.1970825	0.10
589.1752319	0.33
600.2824707	0.97
601.3137817	0.36
718.1249390	0.24
718.8240356	0.28
754.4046631	0.13
760.0957642	0.07
761.3818359	3.29
762.2932739	27.13
763.1776123	100.00
764.1448364	33.11
765.1533203	3.20
765.7584839	0.03
772.3171997	0.55
781.0251465	0.22
803.2331543	0.29
808.4314575	0.23
953.7445679	2.01
954.8395996	7.74
955.9699707	3.36
956.9679565	0.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	896.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
441.4934082	0.04
730.1511230	0.16
750.6545410	0.18
781.2874146	0.06
796.9374390	0.08
848.6976929	0.21
850.5178833	100.00
851.3799438	1.77
852.3969116	0.02
876.5633545	0.06
878.4176025	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
84.87950134	0.85
93.89894867	0.45
95.07334137	2.05
109.205658	1.08
110.7257385	0.19
112.0632172	0.40
115.1801147	0.24
123.26474	0.23
124.910675	0.21
129.0701447	2.42
130.0829163	1.06
130.7891083	1.13
133.111557	0.24
139.875	0.77
141.91539	0.91
142.8817139	0.51
151.0374603	25.88
151.9647064	22.98
153.0901794	1.08
161.1179962	0.26
166.0622864	0.31
168.2647858	0.83
169.8249054	1.16
171.1848297	0.72
179.0384064	0.58
180.259964	0.26
182.2185059	0.48
183.9931641	2.01
185.8769684	1.59
192.9733124	0.32
195.9219055	1.81
196.8686523	0.21
198.2542267	2.42
200.1252289	0.28
200.981308	0.83
208.1473694	0.40
209.2988434	0.31
210.3805084	1.94
211.2181396	3.81
212.4805298	2.71
213.140274	0.65
217.1137543	1.20
218.0995483	2.48
219.1769714	1.12
225.3160706	0.94
226.232254	4.16
227.3125	1.23
231.4230499	1.08
235.5497284	3.60
236.1709747	6.34
237.1361542	1.00
238.0435638	2.07
239.1616058	6.76
239.9823151	1.55
251.2892914	0.46
253.0821686	100.00
254.0862579	25.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
94.84979248	2.10
109.0278473	6.55
111.0761261	1.07
121.0925598	2.05
122.9394684	11.51
128.8605347	6.41
135.2230835	3.25
139.1486664	1.84
141.1621704	0.66
143.2152863	0.97
146.9202576	2.86
148.88414	1.39
149.9493713	1.32
151.0225372	100.00
151.9678802	3.22
154.0615997	2.10
159.1457977	1.73
160.9227142	3.64
163.0522003	1.44
163.8693695	1.13
166.0614624	1.35
167.1998444	3.02
175.0002289	3.71
177.2322235	1.67
179.1356506	6.52
182.1784515	0.84
184.8652039	4.04
190.0063629	1.90
191.0588531	5.41
195.2968903	2.59
197.0014648	5.34
200.9264832	1.22
207.2810211	4.20
208.9333191	3.03
211.1459045	6.11
216.2449493	2.04
217.1497803	13.19
225.2471313	16.16
226.2165527	5.08
234.4960327	3.19
235.2642975	39.02
237.2285767	1.54
238.1956177	13.35
251.1599579	3.09
253.0854034	66.29
253.6926422	2.47
254.3043671	1.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1301.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
555.7081299	0.09
603.6499023	0.04
620.3359375	0.05
652.7091064	0.07
662.4703369	0.03
675.1932373	0.25
685.7443848	0.40
702.4947510	0.43
703.6174927	0.41
742.8737793	0.05
758.7272949	0.24
759.5848389	0.14
774.5637207	0.06
775.8188477	0.03
798.5628052	0.04
815.6765747	0.04
840.7354736	0.16
841.5779419	0.10
848.0844727	0.17
858.2399902	0.05
872.7563477	0.02
884.7656250	0.04
888.5447998	0.09
889.9372559	0.06
917.6175537	0.12
920.8321533	0.03
950.1331787	0.07
952.8615723	0.19
953.5424805	0.11
956.3768311	0.04
959.5198975	0.05
960.7165527	0.03
962.7288818	0.45
968.1235352	0.06
977.3221436	0.55
978.3563232	0.82
979.0137939	0.01
979.8015137	0.11
985.5571289	0.06
994.7504883	8.78
995.6923828	5.21
996.7548828	1.11
1003.5515140	0.06
1005.7823490	0.06
1008.8099370	0.09
1020.5736080	0.14
1021.7169190	0.20
1022.9599610	0.02
1034.3593750	0.04
1038.5240480	1.70
1039.4958500	1.91
1040.6794430	0.53
1050.0798340	0.27
1051.3792720	0.22
1057.3640140	0.03
1074.6149900	0.16
1076.1533200	0.24
1091.6352540	17.23
1092.6494140	15.99
1093.7504880	3.33
1094.6990970	0.49
1095.3138430	0.03
1099.2585450	0.06
1100.3991700	0.07
1107.8703610	1.84
1108.9052730	1.03
1109.8876950	0.62
1110.8527830	0.40
1117.5909420	0.07
1118.3638920	0.14
1119.0671390	0.22
1119.6724850	0.18
1120.9643550	0.03
1126.2797850	0.03
1135.6929930	18.24
1136.6682130	21.97
1137.7031250	7.11
1138.6259770	0.82
1139.2933350	0.36
1143.0262450	0.12
1146.7984620	0.06
1148.1091310	0.02
1153.7856450	1.02
1154.7706300	0.78
1155.7663570	0.07
1161.2948000	0.09
1163.6213380	0.13
1170.4730220	0.12
1173.6846920	0.19
1182.7955320	0.14
1187.7719730	3.54
1188.7490230	3.93
1189.8542480	0.80
1191.9222410	0.16
1192.5805660	0.52
1203.4079590	0.69
1205.5140380	0.29
1206.8037110	0.83
1208.0354000	0.31
1209.0417480	0.14
1212.2430420	0.56
1213.0178220	0.12
1220.9411620	0.08
1222.0932620	0.04
1222.8452150	0.19
1223.8970950	0.11
1226.0546880	0.17
1227.9575200	0.03
1234.2116700	1.07
1235.1142580	0.44
1240.6068120	0.55
1241.5482180	0.10
1243.1756590	0.29
1244.0428470	0.23
1246.6743160	0.05
1249.6572270	0.14
1250.4584960	0.12
1251.8247070	0.52
1252.9360350	0.34
1253.8015140	0.02
1259.5631100	0.07
1262.0057370	45.73
1263.5659180	0.34
1268.3071290	0.09
1271.0283200	100.00
1272.3195800	1.07
1273.0797120	0.06
1273.8997800	0.17
1275.0069580	1.95
1275.8367920	0.26
1280.0000000	28.94
1280.9957280	1.42
1281.9291990	0.16
1283.9916990	64.01
1285.0124510	0.61
1285.8957520	0.02
1314.4091800	0.16
1318.4648440	0.04
1332.6601560	0.20
1333.8880620	0.95
1334.7661130	0.98
1335.7984620	1.46
1336.7340090	0.19
1345.4909670	0.13
1349.7951660	0.04
1351.1394040	0.56
1351.8916020	0.58
1353.2392580	0.20
1354.3961180	0.25
1361.2110600	0.44
1362.8918460	0.11
1370.4577640	0.06
1378.7697750	2.52
1379.7520750	2.85
1380.8609620	0.38
1386.9467770	0.10
1387.7354740	0.04
1396.7010500	0.42
1397.6236570	0.79
1398.2449950	0.23
1412.7698970	8.21
1413.8198240	12.95
1414.8768310	4.21
1430.2440190	1.81
1430.9107670	12.34
1431.8070070	18.31
1432.7883300	5.90
1433.5927730	0.01
1434.4930420	0.22
1435.6416020	0.02
1436.9716800	0.03
1447.9617920	3.02
1448.8782960	6.60
1449.8496090	7.30
1450.8321530	2.07
1452.7487790	0.04
1458.7430420	0.24
1460.0157470	0.04
1465.9063720	3.88
1466.9124760	6.56
1467.8863530	2.16
1474.3978270	0.02
1476.9134520	0.14
1477.8511960	0.27
1479.4108890	0.06
1480.1191410	0.02
1490.6895750	0.10
1494.7102050	0.30
1495.7286380	0.41
1496.6381840	0.17
1509.1765140	0.05
1510.5723880	0.23
1511.6888430	0.14
1527.6875000	1.31
1528.8834230	2.47
1530.0030520	0.70
1545.7285160	1.63
1546.8564450	2.34
1547.7327880	0.62
1548.3380130	0.08
1562.8902590	0.05
1563.9351810	0.19
1565.1563720	0.24
1566.2801510	0.02
1580.8421630	0.27
1582.1553960	0.11
1582.8564450	0.08
1614.3967290	0.04
1663.9621580	0.02
1664.9722900	0.11
1712.8670650	0.07
1720.0767820	0.02
1763.6501460	0.08
1766.3406980	0.08
1795.7740480	0.02
1818.3405760	0.10
1825.1180420	0.03
1849.1966550	0.03
1863.7800290	0.14
1864.9036870	0.30
1866.0866700	0.12
1866.8869630	0.06
1882.1177980	0.07
1882.7740480	0.19
1884.1021730	0.22
1885.0603030	0.14
1900.4100340	0.14
1901.0373540	0.06
1901.9401860	0.03
1928.7731930	0.08
1960.9245610	0.03
1968.7536620	0.02
1986.1107180	0.09
1995.7014160	0.03
1998.0573730	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	803.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
244.1742554	0.27
325.9517517	1.03
395.2545166	0.52
447.6664429	0.21
455.3134155	0.59
494.6359253	0.39
534.9315186	0.31
569.4917603	0.24
581.3632202	0.24
641.6223145	0.50
650.3124390	0.14
651.4861450	0.60
652.6021118	0.86
661.5095825	1.38
680.6785278	1.78
681.4580688	0.58
702.8182983	0.67
718.0296021	2.60
722.2293091	35.18
722.9918823	1.56
723.6442261	0.90
726.6138916	0.29
732.0533447	1.55
737.2609253	0.93
750.5110474	61.03
751.5286865	0.92
752.5903931	0.70
759.3279419	0.31
765.4857788	0.40
766.8236694	1.92
785.4257202	1.35
791.4302368	0.89
847.6770630	0.86
849.6789551	0.37
853.9043579	7.63
854.5279541	7.69
907.2092896	0.38
930.2641602	3.55
937.4502563	2.35
962.6613770	100.00
963.5728149	1.21
964.8491211	1.28
966.0697632	0.40
968.8392944	0.87
975.8788452	0.12
982.4188843	0.91
983.1354980	1.05
994.4889526	0.86
995.1564331	0.75
1000.3424680	36.38
1001.1032100	0.24
1001.7431030	3.53
1005.2539670	0.16
1007.8668820	0.86
1019.7568970	0.49
1020.5325320	0.27
1033.2146000	0.47
1077.8079830	1.43
1122.2248540	1.01
1122.8713380	0.61
1142.1334230	0.57
1154.2219240	0.15
1172.7122800	0.47
1192.9123540	0.23
1226.6197510	0.40
1240.0117190	0.45
1244.5936280	1.22
1275.8577880	0.40
1330.4163820	1.39
1340.2403560	0.33
1430.7919920	0.19
1495.1243900	0.13
1586.3791500	0.19
1599.7364500	0.12
1601.5583500	0.32
1609.5552980	0.15
1611.8636470	0.48
1625.6671140	0.13
1638.7521970	0.28
1641.5168460	0.39
1648.7409670	0.12
1681.7337650	0.39
1688.1481930	0.12
1692.1248780	0.44
1705.3059080	0.26
1720.5120850	0.17
1727.8039550	0.26
1741.9392090	0.54
1743.8394780	0.22
1749.8205570	0.24
1757.6741940	0.24
1765.5139160	0.14
1770.4605710	0.26
1788.7991940	0.34
1800.9171140	1.15
1803.4162600	0.85
1812.5236820	8.45
1813.5305180	0.12
1822.6340330	0.87
1832.7645260	0.21
1833.6658940	14.87
1836.1379390	0.16
1838.0819090	0.58
1841.0236820	0.14
1842.2448730	0.30
1846.4110110	0.33
1849.2274170	0.16
1850.2038570	0.53
1852.7164310	1.82
1854.1915280	0.18
1858.7634280	0.33
1859.7537840	8.27
1861.7796630	3.14
1862.7874760	5.96
1872.1295170	0.81
1873.9195560	0.26
1875.6353760	0.65
1876.6046140	0.19
1877.7572020	0.12
1881.7850340	0.20
1882.5906980	1.65
1884.2860110	0.17
1894.1043700	0.21
1897.2550050	0.13
1898.3399660	0.41
1902.5109860	0.58
1903.2180180	0.10
1905.9063720	0.36
1906.5469970	0.08
1910.7902830	0.16
1913.7701420	0.27
1922.0750730	1.37
1922.7019040	0.24
1923.3641360	10.17
1925.1651610	0.69
1925.9112550	21.38
1929.1524660	4.67
1930.3005370	1.55
1931.6564940	1.06
1935.1195070	9.50
1935.9675290	0.40
1939.3297120	5.89
1939.9486080	0.47
1942.3653560	7.98
1943.5174560	0.75
1944.5290530	25.13
1946.4559330	1.58
1948.2946780	0.24
1949.1916500	2.02
1951.1412350	6.71
1953.6507570	0.40
1954.3382570	32.28
1958.4075930	1.88
1960.5155030	0.65
1961.2813720	0.12
1962.4841310	0.22
1963.8303220	0.29
1966.3211670	0.42
1967.9987790	0.12
1968.8743900	1.95
1970.5477290	0.37
1971.4812010	0.41
1973.3801270	9.34
1975.1387940	1.92
1976.9986570	0.17
1978.1690670	0.94
1979.0075680	0.83
1979.8000490	2.02
1981.9646000	5.80
1984.8083500	1.50
1986.2464600	30.76
1987.3973390	1.93
1988.8502200	1.90
1990.3161620	2.90
1991.2136230	0.88
1992.9815670	0.36
1994.4802250	2.53
1995.5012210	1.10
1996.7269290	0.88
1997.8991700	0.64
1998.8360600	1.50
1999.4548340	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	817.7
Annotation	Unknow
Peak:m/z	Relative Intensity
281.5758667	0.22
297.9898682	0.66
308.2372437	1.87
326.2653809	0.17
430.9681396	0.37
439.3535156	0.35
454.3217773	0.35
456.5596313	0.53
469.3858032	0.27
496.9760742	0.36
557.6493530	0.49
571.0394287	0.29
601.1552124	0.22
637.2741089	5.77
640.8716431	0.22
699.3615112	1.56
702.0604858	0.42
703.5404053	1.21
731.3105469	0.29
732.0195923	2.14
736.5832520	46.26
737.6698608	0.86
738.5040894	1.27
758.4581909	1.79
764.8033447	40.37
765.9166260	0.25
770.2966919	0.35
774.5387573	0.29
778.7908325	49.06
779.5148926	2.96
780.7835693	4.56
784.7651978	2.57
787.1809692	0.77
793.1657715	0.62
799.3729248	2.50
803.0578613	4.09
815.0724487	0.17
819.6699219	0.20
828.6288452	1.43
843.8468018	0.43
847.0664673	0.22
867.3180542	2.48
872.9547119	1.57
874.9403687	2.15
876.7360229	26.43
877.5700073	1.99
878.4097290	0.34
889.3712769	0.17
898.7822876	0.53
918.3237305	1.74
936.3150024	0.94
938.0708618	0.90
939.4129028	0.15
940.9949341	0.29
941.9834595	1.55
942.6329956	1.03
949.6166382	1.39
955.3876343	0.39
968.5527954	0.41
970.0996704	0.64
971.4789429	0.51
975.2150879	6.13
978.1984253	0.71
981.6611938	100.00
983.3125000	0.35
984.8790894	0.79
996.5490112	0.77
1013.7556150	2.46
1019.5800780	52.16
1020.9182130	0.78
1033.5533450	0.90
1049.0273440	1.09
1052.5435790	2.76
1161.9301760	1.07
1170.3239750	0.87
1172.8099370	0.28
1201.5156250	0.35
1207.7390140	0.27
1229.6123050	1.77
1281.6479490	0.20
1315.9654540	1.08
1350.5306400	0.79
1360.9996340	1.33
1485.1026610	0.17
1536.5047610	0.72
1570.9416500	0.73
1627.4945070	0.49
1655.3270260	0.20
1657.9595950	0.79
1666.8922120	1.03
1668.5233150	0.36
1674.6901860	0.22
1681.4968260	0.56
1699.4758300	4.23
1718.7237550	0.31
1734.0101320	0.40
1754.8177490	0.30
1756.2834470	0.17
1762.0286870	2.66
1768.6682130	0.31
1778.5870360	0.91
1779.9962160	0.82
1782.7160640	0.77
1803.8947750	2.57
1806.1730960	0.28
1817.8094480	3.60
1831.2746580	0.59
1832.9938960	0.20
1834.9954830	0.21
1837.0012210	0.18
1840.4914550	0.62
1843.9959720	0.84
1846.0887450	0.35
1848.7205810	0.35
1852.9943850	0.51
1859.5584720	0.81
1863.1766360	10.50
1864.8077390	0.60
1868.1400150	0.29
1870.7341310	0.11
1875.1043700	0.78
1876.4924320	2.24
1878.8221440	0.31
1882.3714600	1.92
1883.9064940	0.11
1887.7000730	1.97
1892.0374760	0.39
1894.1447750	2.95
1895.1169430	0.88
1897.3331300	0.62
1901.0914310	2.02
1903.0714110	2.30
1904.9725340	0.46
1907.1423340	0.35
1914.5926510	0.42
1915.8074950	0.26
1916.8612060	1.45
1917.7736820	0.62
1923.8602290	0.49
1926.5499270	1.34
1927.7453610	0.33
1931.0465090	0.29
1933.1687010	0.27
1934.1418460	1.80
1935.1945800	0.84
1936.2248540	0.16
1937.7277830	3.08
1938.9901120	1.34
1941.1038820	0.11
1942.5882570	2.13
1943.7242430	0.20
1946.5397950	0.52
1947.4757080	0.39
1948.5593260	5.03
1949.3717040	0.85
1951.2630620	13.01
1952.5196530	1.07
1953.1267090	2.03
1954.5870360	1.60
1955.8214110	0.62
1957.0358890	0.29
1957.7989500	0.48
1959.1267090	0.56
1961.6846920	12.69
1962.5421140	0.66
1963.3472900	0.15
1964.7042240	1.14
1966.3895260	1.35
1968.9012450	6.95
1971.1846920	0.41
1972.1258540	10.75
1973.6900630	13.46
1974.4310300	9.17
1975.9307860	14.00
1978.1823730	0.27
1979.6768800	0.71
1983.8116460	2.21
1984.7882080	1.30
1985.6057130	0.51
1989.7091060	1.16
1990.3570560	12.93
1991.5430910	24.93
1992.5212400	0.66
1993.2989500	2.34
1994.2742920	23.00
1995.9732670	11.28
1997.5682370	8.19
1998.9298100	0.61
1999.7652590	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	891.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
257.4689331	0.09
285.4545288	0.10
289.4964600	0.16
293.4223328	0.16
305.4638062	0.10
306.5023804	0.13
309.5240479	0.18
313.3004761	0.07
333.5178223	0.18
347.7207642	0.14
351.5691833	0.56
352.2602539	0.31
367.9110718	0.05
369.3019409	1.02
370.2490845	0.30
371.4421082	0.46
379.5399780	0.07
386.0795898	0.10
387.3830872	6.48
388.5289612	0.47
393.4600220	0.12
397.2543945	0.09
405.4920044	13.64
406.3514404	2.85
419.3032227	0.30
425.3243408	0.28
429.4843750	0.56
430.5868530	0.11
447.4028931	0.70
455.6583862	0.08
471.5836182	0.23
503.5394897	0.05
531.5681763	0.72
532.4315186	0.17
549.4639282	22.01
550.4470215	5.99
561.8081665	0.06
563.3976440	0.12
567.4743652	100.00
568.4904175	26.66
569.7197876	0.10
582.6350708	0.08
591.5488892	1.41
609.4883423	1.80
610.6179810	0.29
619.4521484	0.06
637.5590820	0.26
638.6821289	0.04
676.4100342	0.09
686.6807251	0.07
693.4488525	0.77
694.6577148	0.64
704.5700073	0.18
711.5792847	28.83
712.6171265	8.55
713.5643921	0.20
715.3671265	0.12
716.4994507	0.11
729.4667358	54.15
730.5399780	22.92
731.5928345	0.40
745.5716553	0.15
753.3735352	0.06
770.3461304	0.09
771.8843384	0.22
772.5885620	0.05
795.6291504	0.06
831.8455200	0.13
832.5565796	0.48
838.7236328	0.43
840.2265625	0.28
843.9372559	0.17
849.0609741	0.05
850.6478882	1.19
855.5973511	0.24
856.4524536	0.05
869.4087524	0.07
873.5409546	60.61
874.6149902	21.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.65
Annotation	Unknow
Peak:m/z	Relative Intensity
187.8081055	0.50
253.0832367	0.19
290.8499146	4.43
292.8174744	0.90
295.0763245	0.39
303.2906494	0.29
375.0099487	2.02
376.9492188	0.40
381.0524902	0.37
414.0650024	0.60
458.7463379	8.34
460.5922852	17.58
461.1937866	0.28
491.1889648	0.47
504.3920288	0.51
540.0548096	0.25
542.6109009	38.35
543.9813232	33.19
544.6721802	100.00
545.4721680	0.40
546.7617798	5.67
548.8710327	1.04
550.6046753	0.82
569.0399780	0.40
571.4299927	0.36
574.4208374	0.19
575.7401123	2.26
576.7322388	3.66
582.6873169	0.87
590.4110718	0.73
591.4457397	0.58
592.5150757	2.59
604.7170410	2.52
605.6236572	4.97
606.6740112	16.59
625.8382568	2.92
626.6752930	7.89
627.7727661	13.30
628.5870972	37.33
629.3500366	0.34
634.9052124	0.65
636.4764404	1.09
646.4832764	0.19
647.8639526	1.22
648.8244629	1.29
651.7433472	2.09
652.7837524	4.51
664.5809937	0.29
666.0468140	1.86
666.6901245	2.70
671.2721558	0.24
688.7402954	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
118.2589874	8.34
131.9542694	2.70
149.0235443	100.00
150.148407	44.15
159.9958191	8.68
161.0192261	5.93
167.0139465	58.42
225.4434509	4.56
237.1353455	6.72
257.1770935	3.15
261.2937927	26.41
262.1382751	3.51
275.0813904	2.26
278.6985168	19.41
279.883728	50.01
286.2463379	7.65
290.9836121	7.11
311.0043335	11.10
313.2481384	3.35
329.0913696	7.61
339.1865845	5.87
349.3590698	19.31
374.2921753	36.86
375.2065735	5.09
385.7271423	15.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0806
Annotation	4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
Peak:m/z	Relative Intensity
136.0676270	21.67
147.0932465	0.06
164.9886932	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	606.0737
Annotation	UDP-GlcNAc
Peak:m/z	Relative Intensity
175.2489777	0.06
176.9624481	0.84
182.0225220	0.06
192.9795532	0.36
198.8373566	0.04
206.1654510	0.05
211.1475220	1.20
214.9117432	0.07
222.0082397	0.62
240.1338196	0.51
241.0802612	0.30
243.1037445	0.16
246.0257721	0.62
255.0366211	0.17
261.0611572	2.10
264.1481323	0.86
272.9884033	13.65
280.3276062	0.08
282.1868591	30.16
290.9318237	0.22
300.0909424	4.38
305.0809937	5.98
314.2022705	0.12
320.0775146	0.07
323.2013550	24.94
324.1128845	1.37
325.0625305	2.07
326.3285522	0.04
329.0558472	0.09
329.9045410	0.10
331.1757812	0.48
334.1962891	0.07
344.1032715	1.55
359.0122681	0.11
360.1907959	0.10
362.0570679	20.57
374.2214355	0.15
377.1755371	0.43
379.0544434	0.50
380.2003174	0.42
385.1142578	100.00
392.6998901	0.22
395.5072632	0.13
396.2012939	0.07
403.1158447	55.49
421.1817017	0.17
424.4714355	0.07
426.2162476	0.11
429.7114868	0.16
431.9677124	0.15
432.6098022	0.11
435.0362549	0.26
441.2054443	0.40
443.0109863	2.20
444.1892090	0.31
447.3942871	0.03
451.1256714	0.22
452.2861938	0.15
460.9884644	0.08
465.4216309	0.05
470.2534180	0.07
471.1765747	0.15
472.1214600	0.70
473.0532227	0.33
484.3307495	0.33
485.1810913	2.68
486.5173950	0.18
487.3862305	0.04
492.1132812	0.16
494.2758789	1.68
506.0919800	0.04
508.2407837	7.71
508.9255981	0.03
521.4154663	1.74
522.2324219	1.37
526.2185059	0.52
546.9971313	0.03
559.1763306	0.10
561.1912842	0.05
562.1170044	3.21
563.3184814	2.34
585.5180054	0.06
587.3164673	1.99
588.1984253	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.0786
Annotation	4'-Hydroxyflurbiprofen
Peak:m/z	Relative Intensity
139.9903412	1.75
145.1441956	1.87
152.8863373	0.07
157.8641510	0.05
167.0718536	0.10
173.2111511	0.03
186.9088898	0.17
190.8710938	0.05
196.1065216	5.45
198.3077545	0.02
213.0639648	100.00
214.0192871	2.11
215.0207672	0.25
216.0759888	0.21
217.4310760	0.12
225.2882843	0.04
229.3471222	0.06
231.0861969	26.94
231.9564972	0.08
233.3888550	0.01
240.4148560	0.01
241.0831299	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
183.2547455	0.07
245.1029053	0.10
312.2225952	0.06
333.5355835	0.03
336.2000732	0.04
351.1759644	1.04
352.1832275	0.05
360.7976074	0.07
377.2241211	0.12
378.1029053	0.06
405.2777100	0.19
421.2793579	0.41
422.1146851	0.04
429.2028809	0.10
430.6265869	0.06
447.8667603	0.02
448.9938354	0.17
450.5480347	0.03
463.3845215	0.10
467.2309570	0.09
483.2596436	0.04
511.1441040	0.11
522.1192627	0.06
526.3665161	0.04
527.0656128	0.26
528.2006836	0.02
528.8065186	0.02
547.0562134	0.04
555.0453491	0.07
556.6826172	0.04
563.1984253	0.04
564.8810425	0.03
571.3189087	2.11
572.4067993	0.96
597.5866089	36.16
599.3433228	1.49
600.2393188	0.59
601.3650513	0.22
606.5652466	0.06
607.8528442	0.05
615.1686401	0.15
620.3208008	100.00
620.9616089	3.78
622.7568970	0.07
624.9167480	0.06
628.2767944	0.06
885.7512207	0.06
887.6967773	0.08
888.5004272	0.03
903.7327271	0.07
1031.9135740	0.09
1033.7631840	0.03
1049.5541990	0.09
1195.7337650	1.61
1196.6168210	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1434.25
Annotation	Unknow
Peak:m/z	Relative Intensity
398.0777588	0.08
409.3851624	0.18
435.3286438	0.26
506.6380310	0.18
520.3466187	0.43
528.0049438	0.15
560.4692383	0.15
561.4602051	0.19
566.9715576	0.07
574.2716064	0.19
581.5057983	0.23
594.4144287	0.36
597.5350952	0.20
598.6402588	0.10
607.6963501	0.10
609.4709473	0.30
610.4705200	0.22
611.7602539	0.23
612.3785400	0.42
620.6500244	0.12
627.8513184	0.47
633.1550903	0.31
641.4654541	0.97
642.5734863	0.13
661.6323242	0.12
667.7236328	0.29
671.5771484	0.12
673.4086914	0.69
678.3630371	0.74
696.3981934	0.19
727.3297729	0.43
732.6240845	0.09
749.1107178	0.14
758.4750977	0.40
761.3879395	0.42
768.4450684	0.25
782.4603271	0.43
802.5301514	0.73
812.5017090	0.14
830.5610352	0.09
831.4526978	0.16
832.1230469	0.14
840.2988281	0.10
844.7756958	0.27
848.3702393	0.24
850.6188965	0.40
858.1249390	0.36
859.2294312	0.41
860.4974365	0.44
864.5901489	0.08
865.6243896	0.11
868.1402588	0.54
870.4642334	0.05
878.1809692	0.16
880.9425049	0.60
881.6060791	0.26
883.3540649	0.24
902.5152588	0.50
908.4731445	0.35
917.0640869	0.31
919.5269775	0.10
923.1965332	0.66
926.6771240	0.21
927.5178223	0.14
934.9470215	0.27
937.4852295	0.15
940.0104980	0.57
948.7365723	0.25
950.1645508	0.34
953.3861084	0.08
956.6940918	0.76
959.7342529	0.07
963.3292236	0.55
965.0904541	0.22
966.0010986	0.71
968.4232178	0.21
972.3614502	0.09
978.3588867	0.51
979.2789307	0.81
980.3492432	4.46
985.4204102	0.64
988.3032227	0.09
989.6429443	0.49
990.2891846	0.09
991.0898438	0.07
992.9368896	0.78
993.7894287	0.31
995.2487793	6.72
996.5600586	0.22
999.0460205	0.26
999.9761963	1.40
1000.8808590	0.63
1002.2163090	5.22
1002.8795170	2.27
1004.6378170	0.55
1005.4871830	0.33
1006.5537110	0.47
1007.9211430	1.32
1008.6707760	0.38
1012.3056640	0.31
1013.1134030	0.13
1017.0889890	14.51
1017.8099370	4.66
1018.5522460	0.25
1019.5473630	0.27
1022.8299560	0.35
1024.6253660	0.72
1026.7326660	0.15
1028.7049560	0.12
1029.5900880	0.05
1030.6027830	0.28
1033.5189210	3.35
1034.4987790	1.62
1035.7830810	0.18
1036.7672120	0.33
1038.5235600	0.13
1042.3774410	0.12
1048.6243900	0.33
1050.5029300	0.92
1052.4158940	0.34
1053.8790280	0.11
1056.6193850	0.25
1059.6527100	0.37
1064.3542480	0.21
1066.5078120	0.52
1068.4138180	3.39
1069.3840330	0.45
1070.5952150	0.38
1073.3463130	0.64
1074.6070560	1.24
1076.6812740	0.29
1077.7066650	0.52
1081.5860600	0.38
1082.9721680	0.51
1083.6242680	0.12
1086.4571530	0.45
1089.9523930	0.38
1091.5979000	2.05
1092.9990230	0.26
1094.4147950	1.78
1099.6490480	3.19
1100.5463870	6.93
1101.2861330	0.91
1102.2109380	0.85
1103.6669920	0.70
1104.6184080	0.53
1105.7629390	0.27
1106.8786620	0.30
1107.6171880	0.31
1108.4943850	0.09
1109.5614010	0.12
1110.8103030	0.69
1114.7435300	0.11
1115.5170900	3.19
1116.5093990	4.07
1117.7346190	2.03
1119.4237060	0.48
1120.4067380	1.12
1122.0012210	0.32
1125.2019040	0.10
1126.7441410	0.28
1127.4465330	0.35
1128.8503420	1.21
1130.8972170	0.81
1131.9151610	0.88
1132.6014400	2.72
1133.2241210	1.24
1134.4072270	0.52
1135.6191410	0.34
1136.5345460	0.20
1137.2807620	0.12
1140.1597900	0.18
1141.0921630	0.32
1142.2175290	0.77
1144.1704100	0.15
1145.4614260	0.07
1146.5947270	0.27
1147.9296880	1.39
1148.9511720	0.12
1151.3393550	0.71
1152.3491210	0.33
1159.1427000	0.44
1160.8690190	0.34
1162.2603760	0.94
1163.7255860	0.97
1164.8061520	0.38
1165.6424560	0.37
1167.2960210	1.47
1168.1389160	1.05
1169.8977050	0.33
1171.8654790	0.51
1172.7230220	0.36
1173.9252930	1.14
1176.1394040	0.51
1176.9608150	0.90
1178.1163330	0.13
1179.3011470	0.81
1182.1822510	0.30
1184.1777340	0.34
1184.9642330	0.52
1185.6707760	0.11
1187.0987550	1.80
1189.6040040	0.28
1193.2236330	1.92
1194.0660400	0.90
1195.8186040	0.10
1197.4877930	0.80
1198.7462160	1.50
1200.6506350	0.37
1203.7847900	0.49
1209.4365230	2.70
1210.5340580	0.10
1211.7860110	1.11
1214.4704590	0.09
1216.4259030	0.18
1217.2993160	0.40
1218.4815670	0.14
1219.1069340	0.22
1221.0955810	0.99
1223.7382810	1.17
1224.5549320	0.20
1225.4208980	0.39
1227.4355470	0.78
1228.8480220	1.13
1229.5739750	0.08
1235.0908200	0.57
1235.8498540	0.91
1239.0130620	0.63
1239.7731930	1.19
1242.5156250	0.74
1243.3947750	0.38
1248.7687990	0.85
1250.6103520	0.31
1251.6196290	0.94
1252.5512700	2.20
1255.3732910	0.07
1256.4577640	0.74
1258.5822750	0.32
1259.4405520	0.15
1260.8979490	0.84
1262.2844240	0.21
1263.9084470	1.90
1265.0600590	0.84
1265.8280030	1.91
1267.4614260	1.26
1268.9154050	3.65
1269.8997800	0.19
1270.5024410	1.03
1271.1347660	0.83
1272.5543210	2.81
1273.5274660	2.40
1274.3559570	1.20
1275.6408690	1.59
1276.9345700	0.88
1278.0280760	1.87
1279.4853520	0.61
1280.5982670	2.84
1281.2780760	0.35
1282.2617190	1.24
1283.1221920	0.97
1283.9075930	1.66
1284.7573240	2.20
1285.4934080	0.15
1286.3845210	0.43
1287.4240720	0.27
1288.2982180	1.04
1289.4586180	1.82
1290.4355470	1.83
1291.2388920	4.63
1292.1051030	2.10
1293.3647460	0.91
1294.7293700	3.20
1295.6230470	2.58
1297.3261720	0.32
1298.4598390	0.07
1299.4216310	2.02
1300.2993160	2.13
1301.4627690	7.96
1302.3165280	0.99
1304.4151610	2.39
1305.5104980	6.95
1306.6152340	4.13
1307.3980710	4.49
1310.3474120	4.22
1311.3515620	1.86
1312.1254880	0.73
1312.8972170	1.37
1313.8601070	1.26
1315.8548580	3.67
1316.7192380	6.73
1317.8564450	4.34
1319.6647950	0.68
1321.7396240	6.74
1323.0535890	0.84
1323.8911130	0.96
1324.6401370	0.21
1326.4104000	1.13
1327.2226560	1.49
1328.1866460	2.46
1329.2406010	1.13
1330.2215580	0.94
1331.6551510	0.66
1332.8094480	0.31
1333.7927250	1.32
1337.3768310	1.62
1338.3891600	1.74
1339.4572750	2.05
1340.6676030	1.02
1341.5087890	1.69
1342.4146730	0.78
1343.1632080	1.95
1344.4477540	5.61
1345.2802730	0.20
1346.6342770	0.85
1348.6315920	1.73
1349.2817380	1.40
1349.9212650	1.69
1351.3068850	4.54
1352.2026370	0.39
1353.1561280	2.17
1354.3413090	2.45
1355.1705320	4.45
1356.4382320	0.96
1357.6563720	5.61
1358.6765140	1.56
1359.5644530	3.79
1360.6091310	1.63
1361.5911870	0.82
1362.9055180	9.64
1363.5769040	1.72
1364.6435550	3.58
1365.6597900	11.88
1367.0256350	2.83
1368.6384280	5.60
1369.5610350	8.80
1370.3021240	4.23
1371.0300290	2.97
1371.9855960	1.99
1372.8957520	3.57
1373.8702390	1.23
1374.4848630	8.31
1375.3092040	2.62
1376.0462650	9.21
1377.1236570	11.18
1378.5849610	3.15
1379.6773680	14.53
1380.5849610	19.63
1381.3142090	3.33
1381.9707030	5.59
1383.5413820	16.46
1384.6384280	16.62
1385.4858400	16.70
1386.6754150	10.24
1387.7099610	12.74
1389.0610350	14.12
1389.8901370	1.65
1390.5493160	30.65
1391.7025150	31.18
1393.2097170	7.35
1394.2435300	11.52
1395.3006590	55.06
1396.3400880	18.22
1397.0971680	7.81
1398.0708010	16.35
1398.9094240	10.48
1399.7020260	17.14
1400.6044920	18.71
1401.6849370	60.83
1402.6912840	15.82
1403.7128910	8.80
1404.8480220	30.41
1405.6630860	38.01
1406.5093990	64.27
1407.7908940	33.54
1409.1776120	19.39
1410.4466550	16.58
1411.0999760	9.91
1411.9705810	30.43
1412.9739990	100.00
1413.9272460	2.74
1415.1790770	1.69
1416.3011470	42.83
1417.2945560	22.69
1418.0323490	7.90
1419.2362060	18.24
1433.6983640	0.24
1442.5998540	0.06
1443.8562010	0.45
1448.4844970	0.35
1449.5426030	0.47
1451.6997070	1.72
1456.0897220	0.98
1458.9051510	0.43
1463.8669430	0.42
1466.8190920	0.64
1469.9965820	0.85
1471.9567870	0.17
1473.9937740	0.27
1474.7781980	1.28
1475.7591550	0.07
1478.6971440	0.63
1479.5352780	0.47
1480.8209230	0.07
1482.1301270	0.71
1487.7479250	2.75
1489.0587160	0.55
1491.3863530	0.12
1492.2407230	0.88
1493.1119380	0.21
1494.2862550	1.45
1495.7313230	0.32
1496.8404540	0.61
1498.4533690	0.60
1500.2900390	0.93
1501.0187990	0.14
1502.7331540	1.82
1503.9316410	2.38
1504.6977540	1.80
1505.3670650	0.20
1509.2923580	1.01
1510.1168210	0.83
1510.9830320	1.20
1511.9967040	1.79
1513.3605960	2.25
1514.1795650	0.35
1515.8398440	0.13
1516.9615480	1.12
1517.9083250	1.21
1518.6622310	0.54
1519.3979490	0.60
1520.7584230	3.82
1521.4827880	0.80
1522.6005860	0.95
1525.4991460	1.23
1526.5030520	5.17
1527.3406980	1.27
1528.3266600	0.77
1529.2227780	0.23
1530.8604740	0.15
1531.7564700	0.59
1532.7982180	0.13
1533.7198490	0.54
1534.8491210	2.05
1535.9498290	0.24
1536.7003170	0.88
1537.5760500	1.48
1538.9093020	0.59
1541.5689700	1.31
1542.7508540	2.61
1543.4432370	1.79
1544.2360840	0.77
1546.0065920	0.15
1547.7028810	0.37
1549.5162350	0.26
1550.5666500	0.89
1551.5920410	1.34
1552.7634280	1.72
1554.0797120	0.20
1555.5288090	0.36
1557.8138430	2.53
1558.6807860	4.56
1559.4896240	2.50
1560.1839600	0.06
1561.1496580	0.17
1562.7027590	0.34
1563.6145020	0.47
1566.0281980	0.64
1566.7603760	0.35
1567.4125980	0.52
1568.4583740	0.68
1569.6954350	0.57
1571.2310790	1.00
1573.3114010	2.83
1574.6539310	3.26
1575.4390870	2.12
1576.0989990	3.06
1577.8103030	0.08
1579.4852290	1.30
1582.9122310	0.58
1583.7855220	0.22
1584.4111330	0.53
1589.7150880	0.60
1590.7376710	1.94
1591.3880620	1.55
1596.5999760	0.33
1598.7611080	0.12
1601.1055910	0.12
1603.4105220	0.17
1609.6695560	0.23
1612.7684330	0.30
1613.8995360	0.72
1620.2310790	0.51
1621.0446780	0.17
1623.4525150	0.19
1628.3643800	0.12
1631.8272710	0.36
1635.8900150	0.17
1638.1698000	0.34
1638.9786380	0.29
1643.4036870	0.09
1644.2969970	1.51
1647.8123780	0.32
1661.9364010	0.35
1667.4625240	0.22
1668.1925050	0.16
1672.7344970	0.29
1675.8682860	0.09
1688.0867920	0.86
1691.3861080	0.29
1701.3653560	0.07
1707.0704350	0.17
1709.0841060	0.26
1710.6383060	0.38
1711.8604740	0.25
1719.2747800	0.19
1720.4991460	0.64
1722.2860110	0.13
1725.2608640	0.07
1725.9114990	0.75
1726.5642090	0.08
1728.4812010	0.24
1733.4460450	1.30
1734.3267820	0.50
1736.5939940	0.43
1740.7890620	0.52
1742.4768070	0.76
1743.3864750	0.35
1744.2344970	0.16
1746.3342290	0.08
1747.3197020	0.08
1749.6774900	0.77
1751.6975100	1.02
1752.8371580	0.60
1754.7239990	0.49
1755.3614500	0.50
1756.6522220	0.68
1758.0241700	0.31
1759.1031490	0.75
1759.9324950	0.18
1762.9147950	0.33
1764.1267090	1.10
1765.7937010	0.41
1766.9183350	0.21
1767.8234860	0.71
1769.1976320	0.41
1770.8092040	0.78
1772.0435790	1.25
1773.6544190	0.84
1774.7852780	0.56
1776.9371340	0.86
1778.8786620	0.24
1779.4860840	0.58
1780.8830570	0.76
1782.0490720	2.51
1782.7136230	0.09
1784.5802000	0.91
1785.3072510	0.53
1786.3607180	0.23
1787.7756350	1.11
1788.6824950	0.07
1789.6009520	0.82
1790.5949710	0.20
1792.7208250	0.90
1796.1854250	1.00
1797.3763430	1.57
1798.8902590	1.12
1800.4812010	1.55
1801.8092040	0.89
1803.0640870	1.09
1803.9127200	0.63
1804.7623290	0.24
1805.7913820	1.70
1806.6955570	0.79
1807.6219480	0.10
1810.9367680	1.77
1812.2872310	4.20
1813.8854980	1.45
1814.9180910	0.58
1818.6988530	1.80
1819.4256590	0.63
1820.9104000	0.55
1821.7664790	0.45
1823.4735110	0.47
1826.4919430	0.30
1827.9107670	0.25
1828.6607670	0.66
1830.0115970	0.27
1831.2855220	0.75
1832.3634030	0.25
1835.7940670	0.38
1836.6983640	0.10
1837.3277590	0.68
1838.5145260	0.16
1843.9063720	1.04
1847.9553220	0.10
1849.3514400	0.41
1850.9837650	0.38
1854.1534420	0.44
1856.7199710	0.41
1859.3758540	0.22
1860.2116700	1.37
1861.0665280	0.60
1863.0887450	1.07
1865.9680180	0.15
1867.9581300	0.12
1868.8367920	0.45
1869.7657470	0.35
1875.3040770	0.19
1879.5023190	0.62
1882.8194580	0.44
1884.0262450	0.87
1884.8365480	0.22
1886.0432130	0.12
1887.1285400	1.08
1888.0469970	0.19
1889.1041260	0.37
1890.7120360	0.69
1894.1842040	0.87
1894.9333500	0.30
1897.8917240	0.40
1901.1983640	1.74
1903.2156980	0.19
1903.9177250	0.46
1905.4212650	0.57
1906.6824950	0.09
1909.7352290	0.15
1911.9117430	0.15
1912.6348880	1.12
1913.4265140	0.13
1914.1173100	0.90
1915.3414310	1.16
1915.9830320	0.19
1917.7388920	1.30
1918.8288570	1.19
1920.1976320	0.84
1921.5853270	1.33
1924.1195070	0.51
1925.0001220	0.10
1926.8201900	1.87
1928.2127690	1.05
1929.9398190	0.33
1931.6510010	0.33
1933.3111570	2.70
1933.9317630	0.89
1934.5811770	0.48
1935.1979980	0.27
1936.1085210	0.56
1937.3365480	0.61
1937.9381100	0.08
1939.8483890	0.11
1941.4548340	2.98
1942.5811770	3.56
1943.6016850	1.80
1945.5946040	0.94
1948.3713380	1.04
1949.5479740	0.96
1951.8215330	2.54
1952.6370850	0.71
1954.8988040	0.19
1955.6141360	0.62
1956.4761960	0.09
1957.8068850	2.09
1958.6593020	2.14
1959.6287840	6.09
1960.7960210	0.60
1961.4903560	0.40
1963.1280520	1.17
1964.0295410	0.37
1965.4543460	1.39
1966.2696530	0.54
1966.9168700	1.40
1968.0720210	1.08
1968.9085690	0.45
1969.8717040	0.15
1974.2520750	5.53
1975.2473140	1.45
1976.0339360	0.44
1977.9851070	0.56
1978.6148680	0.39
1982.8293460	1.04
1984.0137940	1.93
1988.8679200	0.28
1990.9654540	3.08
1991.9372560	1.38
1992.6170650	1.04
1993.2235110	0.12
1995.6989750	0.27
1996.4748540	0.66
1999.6389160	0.28
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
122.8119659	100.00
123.8807373	0.03
145.0372467	0.04
150.9240265	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0851
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.98589325	0.70
102.8529358	3.96
104.7732391	0.65
106.835083	0.69
123.210434	0.97
128.9538727	10.28
140.5677948	0.87
150.9671478	100.00
151.8497162	1.91
154.9083099	4.56
157.184494	1.34
166.0851288	0.49
167.1433868	4.01
169.1690521	2.62
171.1346436	4.32
179.106369	4.75
182.0674591	0.82
182.9678345	1.06
185.268631	3.33
191.1750336	0.52
197.2133636	10.36
198.3909454	1.13
211.2813416	1.00
225.0664673	16.25
226.2434235	1.31
235.1558228	3.13
238.0242767	28.25
239.0638885	5.34
253.0940552	93.60
254.1551361	2.90
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2416
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
87.30165863	0.41
92.9364624	0.81
94.94008636	0.99
96.76881409	1.59
97.99979401	0.22
99.00167084	0.49
103.019577	1.14
105.0743637	0.45
108.9330063	0.88
113.0214996	1.20
120.8827286	1.00
122.8735352	1.12
126.9232483	0.93
128.7154999	0.71
129.671524	0.23
132.796051	0.47
136.9502563	0.40
139.2502899	0.65
141.0814209	1.59
143.1052551	0.20
149.1192322	0.93
151.0708923	2.60
153.0091248	0.90
156.5974426	0.41
157.3947601	1.09
169.1502075	2.39
171.3821106	1.69
172.9962921	0.77
175.0844421	1.17
177.4074707	0.46
179.1390991	0.55
183.0441742	0.38
184.1089325	1.18
187.2642822	0.39
191.1051788	1.39
192.9092407	0.40
194.8955383	0.27
196.991806	8.05
199.2580566	1.79
200.848938	1.00
203.1496277	1.01
207.3624268	0.42
208.9407349	0.47
211.3691406	0.54
213.2658997	3.26
219.3321228	1.40
221.18573	3.16
221.9979858	0.89
223.2249451	0.91
225.2933655	0.58
227.1617432	0.74
229.1734314	0.55
232.2279358	0.47
233.3661804	0.30
234.1948547	0.85
237.1703186	0.40
239.2664795	11.32
241.2828369	1.13
243.3296814	0.42
251.2508545	2.47
253.0276489	3.75
253.6777344	0.15
255.2756042	3.71
255.9181824	1.37
257.3449707	0.43
261.3591309	7.38
263.4233704	0.75
265.3539429	1.46
267.1356201	0.29
269.2835999	1.88
271.1365662	0.51
273.920166	0.20
275.3471375	0.29
279.2330933	100.00
280.4143677	0.69
281.6524963	0.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	391.1285
Annotation	SN-38
Peak:m/z	Relative Intensity
131.9277954	0.03
145.0354919	0.17
174.8924255	0.01
199.1087341	0.09
201.1487122	1.48
217.1950378	0.04
219.3890839	0.05
243.1926575	0.02
245.0458679	10.39
246.2618713	0.25
247.2267151	0.05
262.9091797	0.06
287.5038147	0.04
343.2770996	0.14
345.2242432	100.00
347.1796875	23.25
362.0626526	0.16
363.1029968	1.34
369.0537720	0.02
371.3138733	0.03
373.1270142	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.1187
Annotation	L-Arginine
Peak:m/z	Relative Intensity
59.9512253	23.30
69.9756317	2.13
72.0051727	1.44
83.8503876	0.90
86.9825134	0.20
111.9431305	3.71
112.9752655	1.13
113.9945831	1.51
115.0121613	1.93
115.9516602	35.59
130.0673828	47.57
130.9925079	0.28
133.0699463	1.11
140.0073700	2.42
141.0489960	0.86
157.0132141	72.51
158.0071564	100.00
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
92.9939270	1.52
103.0026245	0.05
136.9394836	100.00
137.8113861	0.10
149.9317932	0.10
160.9667816	0.31
166.9526672	0.16
168.9936829	0.08
172.8222351	0.07
180.8129578	0.07
187.1473694	0.11
201.3625183	0.02
203.1327820	0.05
227.2726135	0.02
235.2779846	0.10
236.2134094	0.03
237.2366943	0.14
239.3628845	0.02
240.9685669	0.03
251.3562012	0.04
253.0232544	0.54
254.9833069	0.26
257.1375732	0.03
260.2621460	0.08
263.0339355	0.14
264.5870972	0.04
279.6654358	0.17
280.9349060	0.75
283.0908813	0.07
284.4301758	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
109.0801239	0.01
111.0447388	0.17
115.0417175	0.01
127.0239563	0.07
134.1071625	0.06
135.030426	1.71
136.0015106	0.12
137.0756378	0.08
143.0386047	0.09
155.0432281	0.14
161.0227966	0.40
161.7639771	0.01
171.2057037	0.02
173.1171112	13.06
174.0927124	0.38
179.0429993	12.92
180.135498	0.47
189.163681	0.03
191.0426788	100.00
192.1271515	2.35
217.0982666	0.08
229.4144592	0.02
234.9720459	0.03
265.0319214	0.02
266.9634399	0.02
307.178833	0.01
307.9220886	0.01
309.1573181	0.03
335.2785339	0.07
336.2335205	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
80.14556122	0.43
94.95405579	0.50
96.95331573	0.46
99.08970642	0.19
107.16539	0.15
108.9595032	0.70
111.0236206	0.71
113.0448303	0.39
115.0827332	0.14
119.0900726	1.10
121.0877304	1.87
123.0680237	1.80
125.1171951	0.47
126.9548569	0.56
129.0662537	1.39
133.0473938	0.76
135.1687164	0.50
136.8970337	2.62
138.818634	1.81
139.4484253	0.13
141.0241394	0.19
142.9686279	1.50
144.9787903	0.23
147.0435638	0.80
149.0874329	1.38
151.0998535	0.12
153.0534973	1.74
154.8232422	1.12
157.0123596	0.39
159.0222931	0.17
161.2004395	0.28
163.0235596	1.24
165.2543335	0.48
167.070343	0.20
169.1069946	2.49
171.1005096	2.06
173.1266327	0.17
177.008316	0.34
179.1450043	0.50
180.13797	0.19
183.0280457	3.92
185.2858734	0.26
186.7401733	0.16
189.1642914	0.39
190.9840393	0.24
193.0430908	1.09
195.1981506	0.43
197.0419312	3.80
199.0092773	1.20
201.1976929	0.81
203.2128296	0.86
207.0701904	0.28
209.2000122	1.54
210.3309021	0.75
211.1132812	1.96
213.0846863	2.05
215.2622681	0.09
217.0743103	0.20
219.1309509	0.80
221.1391907	2.47
222.1343384	0.32
223.557373	0.72
224.2917786	0.18
225.0257874	1.38
227.2559204	1.73
229.0746155	0.16
230.893219	0.22
233.2931213	1.93
235.4797058	0.13
237.2138977	5.96
239.2445374	15.06
241.1663208	1.81
243.1575928	2.34
244.5043945	0.31
251.3251038	3.77
253.1588745	1.60
255.3334656	1.67
256.2163086	0.13
257.1281433	1.42
261.1663208	4.64
264.921814	0.29
268.2071228	0.73
269.2976685	0.81
277.0327454	0.33
279.2375488	100.00
279.8496399	0.27
288.7167358	0.16
296.4104614	0.68
297.3547363	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	150.06
Annotation	Methionine
Peak:m/z	Relative Intensity
56.0586853	0.33
101.9879913	0.90
103.8980408	31.16
106.1253204	0.03
120.033844	0.02
122.0659027	0.06
128.8591919	0.06
129.6686401	0.08
133.0341644	100.00
137.211853	0.12
140.3282318	0.02
163.9994202	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1072.9503
Annotation	Unknow
Peak:m/z	Relative Intensity
326.2156067	0.10
344.2978516	0.26
358.3867798	0.07
359.3159180	0.12
360.3616943	0.18
401.1769104	0.12
408.9793396	0.06
423.6350708	0.10
456.3924561	0.12
462.3509827	0.23
485.4360657	0.07
492.4497375	0.23
498.3648376	0.23
507.8725586	0.07
545.1934204	0.12
589.2443848	0.18
596.3961182	0.07
635.2343750	0.32
638.3384399	0.08
643.7056885	0.11
670.1466675	0.14
673.7139893	0.08
697.4322510	0.24
701.7174072	0.23
739.4766846	0.09
743.2614746	0.29
744.0344849	0.09
746.3339844	0.13
761.5062256	0.05
778.9217529	0.21
779.6160889	0.26
848.7686768	0.16
857.6124268	0.07
870.3167725	0.34
920.3582764	0.04
933.6392822	0.63
935.6430664	0.11
941.4310303	0.32
953.2226562	0.15
954.8057861	0.18
957.3334961	0.29
960.0876465	0.29
964.5523682	0.52
966.4461670	0.08
975.4140625	1.80
976.6405029	0.25
977.6538086	0.44
978.7376709	0.27
979.6003418	0.34
982.2841797	0.27
982.9355469	0.27
984.4478760	0.20
985.4760742	0.18
987.2114258	0.41
994.3592529	0.20
996.7637939	1.21
997.9279785	1.20
999.0327148	0.82
999.6362305	0.42
1000.8222660	2.06
1001.6431880	0.62
1002.7841800	0.54
1003.8164060	1.05
1004.6140140	1.39
1006.1623540	2.06
1007.6602780	0.74
1008.2751460	0.84
1010.0585940	0.95
1010.9890140	0.28
1011.5961910	0.39
1012.6450200	1.67
1014.3986820	0.29
1015.2569580	1.27
1015.8894040	0.54
1017.4387210	1.00
1019.9410400	1.20
1020.5812990	0.75
1021.5566410	0.06
1023.1481930	1.97
1023.9506840	0.90
1025.2481690	2.17
1026.9517820	4.12
1027.6564940	0.55
1028.9470210	2.22
1029.8410640	5.46
1031.5697020	9.38
1032.5009770	2.24
1033.8201900	12.49
1034.8752440	1.96
1036.1817630	27.00
1037.7070310	3.27
1038.4112550	3.75
1040.0848390	9.04
1040.7116700	39.71
1041.7695310	0.96
1042.7414550	0.43
1043.8221440	1.64
1044.9152830	11.11
1045.6168210	3.74
1047.3337400	1.19
1048.5834960	2.53
1049.7402340	1.49
1051.1022950	0.45
1052.2243650	1.60
1053.8322750	3.70
1055.8728030	4.37
1058.0249020	7.53
1058.7828370	2.18
1060.1246340	6.05
1061.0042720	3.23
1061.9128420	2.67
1062.8745120	1.75
1064.5224610	1.67
1067.7875980	0.10
1099.1315920	0.22
1104.6113280	0.63
1109.7583010	0.22
1122.1948240	0.50
1123.9129640	0.11
1128.4788820	0.04
1131.3948970	0.07
1139.3371580	0.10
1146.5607910	0.22
1153.8500980	0.15
1164.5703120	0.09
1165.1804200	0.40
1169.6582030	0.48
1171.1464840	0.31
1171.9453120	0.05
1174.7885740	0.44
1176.6271970	0.28
1180.1671140	0.18
1181.5812990	0.64
1184.5168460	0.16
1186.1381840	0.16
1187.1079100	0.53
1194.7390140	0.21
1205.5582280	0.49
1206.6737060	0.51
1209.9497070	0.06
1218.8044430	0.28
1220.6540530	0.80
1222.9708250	0.52
1223.9821780	0.53
1226.1849370	0.15
1228.7395020	0.53
1230.3012700	0.06
1231.2385250	0.69
1234.4991460	0.75
1235.5780030	0.10
1236.2763670	0.36
1240.4597170	0.70
1241.4865720	0.13
1242.2757570	0.57
1243.1394040	0.19
1247.5163570	0.67
1253.5305180	0.32
1254.3249510	0.91
1255.2050780	0.68
1257.2390140	0.96
1258.8939210	1.10
1262.4757080	0.46
1264.5538330	0.40
1265.1538090	0.09
1265.8142090	0.37
1266.4576420	0.66
1267.2222900	0.34
1268.2722170	0.33
1269.1284180	0.56
1269.8962400	0.38
1271.3148190	0.48
1272.4748540	0.35
1274.7032470	0.34
1275.8894040	1.24
1276.5715330	0.87
1277.9326170	1.19
1279.5961910	0.24
1282.1745610	1.32
1282.8071290	0.50
1283.4080810	0.70
1284.9587400	0.63
1286.7707520	0.88
1288.2648930	0.79
1289.2758790	0.38
1289.9587400	0.40
1290.7146000	0.89
1291.8925780	1.78
1292.7785640	1.27
1293.9222410	2.38
1295.6010740	1.00
1296.3903810	0.74
1297.3825680	0.75
1298.2917480	0.23
1299.1785890	3.28
1300.0568850	2.50
1300.8280030	0.07
1301.5057370	0.07
1302.9616700	1.73
1303.8570560	0.59
1305.0825200	2.07
1305.9798580	1.89
1306.8121340	2.46
1307.6441650	0.48
1309.2286380	0.22
1310.1997070	0.74
1311.4565430	3.00
1312.3879390	0.29
1313.9245610	0.14
1314.8297120	0.20
1315.8081050	2.98
1316.4652100	1.05
1317.1514890	3.18
1317.8372800	0.18
1319.0174560	1.81
1320.1873780	1.49
1321.2332760	5.23
1322.1746830	1.17
1323.1939700	1.87
1324.6752930	1.24
1326.3498540	1.70
1327.7115480	0.56
1329.9959720	0.59
1331.1818850	2.68
1332.0250240	0.65
1333.0358890	1.46
1334.0025630	0.98
1334.7967530	1.69
1335.6242680	1.22
1336.2280270	0.44
1337.6635740	2.78
1338.4425050	1.85
1339.2178960	1.63
1340.3824460	2.52
1341.3193360	1.55
1342.2768550	0.57
1342.9278560	1.39
1343.5335690	3.78
1344.2952880	4.33
1345.1706540	1.43
1346.1516110	0.87
1347.6308590	1.64
1348.7076420	1.53
1349.8309330	2.36
1350.8540040	1.28
1352.4027100	0.12
1353.9257810	6.25
1355.0560300	4.71
1356.0843510	1.15
1357.9798580	0.87
1359.5352780	9.48
1360.3636470	13.26
1361.1058350	0.29
1363.4431150	0.83
1364.2404790	0.62
1366.1011960	1.22
1366.7967530	1.36
1368.2346190	0.51
1368.8624270	1.21
1369.5594480	0.63
1370.2674560	0.72
1371.3150630	2.32
1372.1970210	2.40
1373.9200440	1.63
1374.6322020	3.41
1375.7415770	4.09
1376.9732670	1.37
1378.1374510	4.00
1379.0131840	4.85
1380.6290280	15.71
1381.5509030	8.60
1382.3629150	1.21
1383.4310300	5.58
1384.2824710	2.94
1386.7983400	43.02
1387.6251220	17.10
1388.3933110	1.13
1389.5865480	0.30
1391.2829590	1.01
1392.4091800	28.63
1393.1475830	100.00
1394.3206790	0.55
1395.0870360	0.61
1396.4680180	0.52
1397.1856690	1.24
1398.5715330	2.40
1399.5484620	0.30
1401.6535640	0.30
1403.2211910	0.49
1404.9207760	0.07
1406.5118410	0.34
1432.4752200	0.20
1451.0708010	0.12
1456.0653080	0.16
1465.1977540	0.60
1496.6926270	0.04
1505.5078120	0.16
1510.8032230	0.31
1542.4495850	0.07
1559.7261960	0.16
1568.3966060	0.26
1570.9154050	0.21
1573.4073490	0.13
1577.6070560	0.29
1599.5043950	0.19
1600.2625730	0.05
1604.9407960	0.09
1608.8132320	0.22
1621.8670650	0.29
1623.4732670	0.25
1626.8574220	0.66
1627.5527340	0.28
1646.2938230	0.30
1647.9047850	0.29
1650.6436770	0.09
1682.9901120	0.07
1690.8375240	0.20
1700.5169680	0.05
1713.7136230	0.18
1716.2025150	0.08
1720.6492920	0.07
1722.2922360	0.16
1728.3435060	0.10
1731.7523190	0.27
1734.4444580	0.11
1735.7512210	0.22
1737.3135990	0.49
1739.8092040	0.06
1746.0588380	0.47
1749.1090090	0.17
1751.5860600	0.06
1754.2235110	0.27
1756.6326900	0.08
1758.2884520	0.25
1766.8587650	0.35
1768.8289790	0.55
1773.9185790	0.22
1777.3328860	0.44
1778.0838620	0.07
1780.6062010	0.20
1787.0954590	0.07
1789.9104000	0.13
1792.1837160	0.13
1793.7242430	0.21
1795.4396970	0.19
1799.0784910	0.22
1800.0006100	0.10
1802.9827880	0.14
1804.3869630	0.32
1806.9372560	0.38
1807.7188720	0.29
1810.2238770	0.24
1811.5665280	0.08
1812.7110600	0.11
1815.6956790	0.47
1816.3277590	0.32
1817.1989750	0.04
1818.6574710	0.44
1823.7131350	0.10
1828.2723390	0.11
1830.9019780	0.18
1839.8875730	0.16
1840.5333250	0.31
1843.2780760	0.49
1844.8321530	0.07
1846.0959470	0.10
1849.4622800	0.09
1850.9519040	0.49
1857.2263180	0.26
1858.8663330	0.22
1859.5861820	0.25
1864.5277100	0.21
1867.6885990	0.24
1869.0843510	0.05
1870.0460210	0.17
1871.9515380	0.26
1875.6799320	0.31
1879.0882570	0.07
1881.4016110	0.05
1882.7487790	0.40
1883.7423100	0.21
1884.7585450	0.33
1885.5430910	0.30
1886.4564210	0.35
1888.6641850	0.12
1891.7283940	0.18
1893.0196530	0.05
1894.0006100	0.23
1895.7796630	0.33
1896.4455570	0.38
1897.9495850	0.18
1899.7818600	0.20
1906.3869630	0.17
1910.1126710	1.15
1913.1521000	0.84
1913.9271240	0.16
1914.9396970	0.07
1916.1046140	0.82
1920.7326660	4.48
1921.7960210	0.08
1923.4110110	0.36
1926.1759030	0.29
1928.6654050	1.97
1932.6340330	0.56
1933.7785640	0.34
1938.7868650	5.63
1939.4779050	0.07
1940.6961670	0.10
1941.5870360	0.37
1942.5157470	0.37
1943.8210450	0.59
1946.7349850	0.51
1947.5970460	1.58
1948.7869870	0.31
1950.3704830	0.07
1951.5709230	0.24
1952.7122800	0.42
1954.0552980	0.89
1955.3814700	0.50
1956.5933840	2.28
1957.2030030	0.14
1958.2259520	1.91
1961.0426030	0.28
1962.6182860	0.70
1964.3182370	0.07
1965.7781980	0.12
1969.5260010	0.64
1970.8814700	0.42
1971.7586670	0.09
1973.3918460	0.32
1974.5710450	0.77
1976.4310300	1.27
1977.1511230	0.41
1977.9305420	0.14
1980.2213130	2.42
1981.5811770	0.47
1984.4449460	0.11
1985.7775880	0.82
1986.7860110	0.39
1989.0877690	0.40
1990.3258060	0.43
1991.3184810	0.06
1992.2678220	0.54
1993.2371830	4.49
1994.6544190	0.10
1995.7694090	0.22
1997.1451420	0.23
1998.1021730	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	887.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
249.1375122	0.07
263.3165588	0.25
265.3119507	0.10
287.2449341	0.10
305.1286621	0.29
308.3455811	0.21
327.4313049	0.13
347.1243896	0.22
383.3442383	0.08
401.0526733	0.09
422.8530273	0.14
443.1083374	0.33
448.3948364	0.10
457.7286377	0.23
527.2564697	0.23
529.4018555	0.08
530.5485229	0.17
545.4320679	6.06
546.5423584	0.24
563.4671021	5.15
564.3598022	2.45
565.0512085	0.16
583.4861450	0.34
590.3522949	0.09
605.4961548	0.23
689.6236572	1.56
690.7275391	0.24
707.4970093	30.89
708.5342407	10.08
709.4993286	0.09
725.4815063	100.00
726.4301147	35.15
727.6195679	0.18
741.2706909	0.06
749.6416626	0.95
753.1900635	0.18
767.5754395	1.67
768.6683960	0.12
779.4973145	0.20
791.5081177	0.12
814.3250122	0.06
827.8107300	0.19
852.3823242	0.18
869.5637817	14.32
870.6060181	8.10
871.5597534	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	346.0556
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
133.0666199	7.07
134.2180176	2.27
140.8906555	5.05
143.0475769	2.54
150.8693848	14.38
178.0017853	1.34
210.9963684	100.00
232.2775879	4.65
252.2526855	1.70
255.6237183	3.77
262.0773315	2.01
271.2182007	3.49
284.4622803	2.65
286.135437	2.38
300.3533325	16.74
302.1311035	9.94
312.3023376	4.40
317.7220459	9.62
328.2532349	5.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
98.9353790	0.34
103.9546204	0.32
105.8636932	0.18
123.0514069	42.25
124.0431061	0.94
134.9695892	0.24
136.1254272	2.56
156.0304413	0.15
170.2514801	0.44
173.7954102	0.23
177.1934509	0.24
198.1468811	1.04
201.8049927	0.13
228.9709167	0.43
232.1717834	2.24
234.2801819	0.28
248.4401550	0.75
256.2178040	0.70
269.6771240	0.20
285.0375977	0.18
285.7510376	0.56
289.1482849	0.25
290.9736328	0.16
297.0564880	0.15
300.3180542	0.23
302.6230774	1.04
306.8391113	0.34
309.1845093	0.21
312.2923279	0.73
313.8930664	1.35
315.2927856	0.41
323.1952209	0.28
331.6815186	0.11
333.2977905	0.23
346.2520447	0.46
428.3243103	0.79
429.2079773	0.18
496.3545532	0.14
524.1521606	46.71
525.0612793	0.75
529.0762329	0.56
542.1052856	100.00
542.9856567	1.89
582.7494507	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	229.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
78.9001617	5.57
96.8578186	100.00
98.0129089	0.05
113.1540222	0.05
114.2049255	0.08
130.9585876	27.94
145.0811157	1.60
211.1333618	3.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1691
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
93.09524536	0.15
96.77667236	0.21
98.79612732	0.54
113.0791245	0.24
118.4867325	0.17
161.2156982	0.41
165.4143066	0.15
170.006012	4.92
171.1964111	0.21
179.1142731	0.26
183.0120239	100.00
183.9963379	17.21
185.141983	0.45
197.0874939	14.11
198.003952	3.65
199.1511688	0.33
201.4162598	0.37
205.4662781	0.52
209.9521179	0.18
211.0391846	1.44
212.1393127	0.82
217.2541199	0.17
225.137146	3.14
226.1558838	1.18
227.1787109	0.75
238.2009277	0.17
239.2699585	4.40
240.1947632	1.14
241.3967285	0.71
247.2102051	5.98
248.3569946	1.63
249.331604	4.85
253.0198059	0.74
254.2241821	0.20
255.0359497	0.42
257.305481	0.25
263.2299805	0.43
265.2220154	0.29
267.3343506	5.04
268.3569336	0.85
275.3408203	0.58
281.8423767	0.18
283.184021	0.68
284.0497131	0.13
293.065033	13.89
293.762207	0.15
295.1260376	1.23
296.3435059	0.83
311.361084	8.87
312.4028931	1.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.61
Annotation	Unknow
Peak:m/z	Relative Intensity
208.7974396	0.06
250.9641266	0.06
290.3455811	0.13
378.3187256	0.21
380.9500122	0.60
414.9273071	0.09
418.4226685	0.52
460.9868774	0.06
464.6359253	4.93
501.0847168	0.14
504.0966797	0.21
545.2421875	0.37
545.8563232	0.16
547.0955811	1.57
548.5292969	13.51
549.1901245	0.13
560.9129028	3.65
580.2226562	0.24
587.0567627	0.13
630.7182007	0.42
632.6350708	100.00
656.2861938	0.41
663.6193237	0.25
687.2706299	0.11
692.5622559	0.46
699.2135620	0.09
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
200.1661682	0.04
206.9951477	0.22
290.7677612	8.05
334.8185425	0.04
338.8796387	0.04
367.2982788	0.05
369.0935059	0.03
374.0138550	0.25
374.7692871	5.74
381.0023193	0.07
387.2009888	0.07
398.8021240	0.26
406.6913452	0.14
422.7652588	0.34
429.0004883	0.01
436.8106689	0.61
452.8402100	0.21
458.5864868	100.00
459.3422852	0.14
466.0095215	0.02
467.1358032	0.07
478.7872925	0.47
482.6621704	1.76
483.3451538	0.02
496.1027832	0.17
496.7573853	0.75
512.9025269	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.89616394	1.26
99.07181549	0.46
107.9244919	4.12
108.9751892	9.17
113.0975418	0.27
120.9100723	0.64
123.1356964	1.04
133.011734	0.19
135.0215607	0.88
135.9800873	0.27
137.2431488	0.27
139.0730591	0.61
143.8336487	0.25
147.8624268	0.49
149.0026245	0.32
150.9997253	5.51
151.9429016	40.96
153.0227051	100.00
159.0852356	0.74
159.7055664	0.21
160.5553131	0.38
162.9466705	9.54
165.0154724	17.96
170.3064728	1.28
173.0044403	0.25
176.8228302	2.34
179.1440887	2.43
181.1340027	5.58
186.9589233	0.26
188.8911743	1.08
191.3677673	0.38
193.0074158	2.59
195.0963287	5.39
205.1535645	0.44
207.2481689	1.82
210.8748169	0.34
213.295105	0.28
217.192749	0.60
220.0286255	0.25
220.7864075	0.66
223.1621094	0.27
225.1456604	5.90
251.5473022	0.43
253.0666809	0.78
255.3334351	0.47
257.2303162	1.04
267.4219971	0.34
268.9759521	3.57
270.203064	0.83
271.1575928	2.77
279.4242249	0.70
280.1057739	0.15
284.4575195	0.45
295.286499	0.57
296.6095581	0.76
297.2218018	3.20
298.2161865	0.47
299.0534668	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	515.2117
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
181.0968475	0.51
184.1203156	2.32
240.1601562	3.03
258.2425537	100.00
272.1552124	4.69
312.5964966	0.53
325.2894897	0.43
341.3641357	0.52
350.9251099	0.21
361.2822876	14.56
369.3180542	0.86
383.2783203	0.58
386.6556396	1.00
456.2558594	1.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	637.1584
Annotation	Isoscoparin 2''-O-ferulate
Peak:m/z	Relative Intensity
187.3156586	0.03
197.1436615	0.19
199.0419922	0.48
201.0062408	1.47
215.9446716	0.04
216.9967194	0.12
222.0489807	0.01
228.2026978	0.04
231.2166901	0.04
241.0477142	0.03
243.0353088	0.22
245.0929565	4.38
246.2152710	0.16
247.0845032	0.76
259.1479492	0.03
263.3292847	0.03
289.0807800	0.52
290.0953979	0.30
291.1094971	13.31
292.1630249	0.14
303.4269104	0.04
310.3927002	0.01
326.3174133	0.66
330.3229370	0.02
343.4699097	0.24
345.2429199	21.94
346.1688232	0.71
347.3057251	3.17
348.2152100	0.05
355.9513550	0.04
362.1130981	0.07
363.0443115	0.25
375.2990723	0.02
377.5133057	0.03
389.4103394	0.58
391.1721191	100.00
392.2139282	1.99
393.3782959	0.17
405.1464233	0.29
425.6173096	0.06
427.0385742	0.02
442.1144409	0.03
444.4244385	0.08
445.3801270	1.42
446.0898438	2.72
447.1759644	0.08
460.2108154	0.05
462.2324829	0.03
462.9913330	0.10
480.4769287	0.07
490.0938110	11.81
491.1422729	1.07
492.3171387	0.01
493.2802734	0.02
510.2138062	0.09
545.4004517	0.05
563.1683960	0.09
572.7588501	0.19
573.4175415	0.05
590.2778320	0.83
591.2243042	6.76
592.0290527	0.05
593.0253296	0.31
597.2777710	0.02
612.9517212	0.05
618.0464478	0.42
619.0523071	0.09
620.2787476	0.04
637.6702271	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	347.1208
Annotation	N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine
Peak:m/z	Relative Intensity
98.9011688	0.02
111.0462341	0.18
128.1404419	0.04
144.0464783	0.10
162.9063416	0.05
166.2008057	0.05
172.9409485	0.39
179.1221466	0.06
189.3036041	0.02
195.1217957	0.06
199.1880951	0.07
205.1929626	0.05
212.3500366	0.08
214.3543091	0.10
223.1912842	0.20
230.0931396	3.08
230.9267273	0.02
241.3669434	0.05
243.1380920	0.26
246.0267029	0.11
249.4548035	0.07
259.0341797	0.02
263.1070862	0.07
267.1348572	59.99
271.1120605	0.10
273.2613525	0.06
279.3018799	0.12
284.2194519	0.24
286.9932251	0.05
288.2782593	0.02
301.3298035	0.12
302.2906494	0.04
303.1767883	0.06
311.1704102	2.99
329.1687927	100.00
330.0433960	0.05
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
87.75603485	0.18
97.12503052	0.51
109.124939	1.29
110.3186188	0.48
120.7605896	1.43
123.2556915	1.12
124.8829498	0.43
127.0192642	1.03
128.9308014	0.69
133.0872192	1.21
135.1219635	1.36
137.1308899	0.29
138.9868469	2.01
140.9637451	1.65
141.7772217	0.35
143.0341797	0.51
145.1307373	0.54
147.0859985	0.21
149.281311	0.47
150.9742126	2.07
153.0658875	1.04
155.1178284	0.28
156.9068604	1.02
161.1980896	0.40
163.1313019	0.66
165.2409363	0.44
169.0895081	0.83
171.0690613	2.97
175.0016479	0.36
176.1158905	1.29
177.1535645	0.71
180.0371399	0.27
180.9986267	0.84
182.9107819	1.43
187.4227448	0.20
189.0820923	0.40
190.8625183	1.04
193.0620422	1.08
195.317276	0.27
196.692627	0.12
197.3213806	0.64
199.0317841	0.41
205.0366516	1.76
209.1842651	3.25
211.1746826	2.37
212.194519	0.87
213.2125244	0.80
215.1465759	3.36
218.9784546	0.28
221.4533081	0.15
222.1462708	0.57
223.1332397	0.95
225.2068481	0.64
227.1450806	2.47
228.8785706	1.00
231.3271179	0.50
233.2006226	0.66
235.2162476	0.67
237.1492615	0.60
239.2321167	1.57
241.1017761	0.84
247.2274475	2.01
251.3041077	1.03
253.1037292	4.31
255.3251953	0.66
257.219635	0.83
262.3579712	0.10
264.1028442	1.18
265.1835632	4.28
267.1628723	2.81
269.562439	1.59
270.16745	1.70
273.9628296	0.21
275.1964722	8.51
277.2310486	0.96
283.2303772	12.12
290.8912659	0.42
293.2147217	100.00
294.0049133	1.94
294.616272	0.44
302.4199829	1.72
310.5847473	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
111.0441895	0.58
115.138092	0.49
125.0077286	0.69
127.0391617	0.33
129.027832	1.35
135.142868	0.72
137.8940125	1.21
139.1168213	0.62
141.1392212	1.28
151.1628113	0.50
153.1013184	0.53
154.9381714	0.48
160.881958	1.31
167.0145264	0.39
177.2759857	1.60
181.1279602	2.15
182.8503113	1.31
183.8147888	0.59
193.2957458	1.34
194.9786377	2.81
196.7030029	1.44
197.3540039	0.78
199.1219482	2.08
203.1242065	0.19
205.2731018	0.23
205.9728699	0.64
209.3813171	0.28
211.5488892	0.25
217.4709167	0.33
223.4307861	0.44
225.6578064	0.80
227.3395996	1.42
229.179718	0.90
237.2612	2.45
239.0879822	2.11
240.3701172	1.15
242.4213257	0.59
245.2628174	0.36
246.8615723	0.86
251.2579346	1.35
252.1858826	0.44
253.143219	6.05
265.3074646	1.56
266.976532	1.46
269.3345947	0.93
270.1410522	0.95
275.1876221	8.55
283.2129517	3.40
293.204895	100.00
295.8052063	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	166.0858
Annotation	Tricaine
Peak:m/z	Relative Intensity
74.05889893	0.04
107.0975647	0.03
120.0454712	100.00
131.0488586	0.20
147.8087463	1.05
148.9645538	6.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	504.92
Annotation	Unknow
Peak:m/z	Relative Intensity
157.8742065	0.06
158.9633179	2.69
160.0006409	0.88
160.9744263	1.88
161.8719177	0.09
162.9755249	0.13
199.1231079	0.64
200.2120514	0.05
201.0965271	0.71
202.1148682	0.11
203.2722168	0.04
217.1808624	0.19
219.0776367	0.27
220.0776672	0.14
229.1788177	0.38
230.0291748	0.48
231.0467682	0.85
232.1481476	0.29
233.0640717	0.30
273.0119629	23.04
274.0284119	27.45
274.9893494	53.24
276.0783997	22.34
277.1366882	7.55
346.1869202	0.14
361.0310059	0.25
387.9759827	46.34
389.0879822	85.85
390.0025024	100.00
390.9642334	43.21
391.6053772	0.31
412.9889832	0.12
413.9178467	0.12
415.0480957	0.13
419.0673218	0.12
430.0539551	0.27
432.1592102	0.15
434.2882996	0.07
443.2818604	0.57
459.0134888	2.16
459.8624878	0.55
476.5548401	0.17
487.1514587	5.81
505.2271118	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	659.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
490.2007446	0.06
539.3051758	0.30
544.2668457	0.05
550.9629517	0.10
555.5184937	0.14
574.4627075	0.18
584.5486450	0.11
593.2453003	0.12
613.7899170	27.73
614.4670410	2.15
623.4883423	0.06
636.6975708	100.00
637.3195190	2.05
638.6101685	0.07
641.7836304	0.11
757.9071045	0.36
921.0692749	0.09
1067.0626220	0.15
1071.7099610	0.08
1166.1073000	0.06
1227.5469970	0.04
1228.8013920	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1023.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
320.4259949	0.35
368.1707764	0.50
418.4548340	2.12
435.3140564	4.19
522.1845703	0.61
628.5552979	0.49
645.2858887	0.56
651.1287842	1.20
723.0058594	1.27
779.2498169	0.37
827.3104248	0.19
891.4635010	1.23
921.2744141	1.83
923.4492188	0.73
934.5523682	0.92
953.6081543	1.95
956.9953613	1.86
971.2220459	2.23
972.4533691	0.97
981.3100586	2.31
982.8112793	1.03
983.4140625	0.29
984.0656738	1.15
986.1396484	3.73
987.2346191	3.72
987.9958496	4.72
989.9643555	10.41
993.8449707	1.73
994.7879639	18.31
996.3747559	2.03
998.7930908	1.74
999.5463867	2.90
1006.0467530	0.89
1007.7917480	2.16
1009.8912350	1.56
1012.2993160	1.99
1052.9476320	1.17
1076.7402340	0.77
1090.6030270	0.47
1092.9129640	1.48
1113.9064940	1.17
1116.2712400	0.94
1117.7061770	0.97
1126.6484380	2.19
1138.6805420	3.66
1144.1464840	1.61
1145.2846680	0.40
1149.7747800	1.72
1150.5695800	1.19
1151.3947750	1.97
1169.4584960	2.09
1171.7984620	2.21
1180.7741700	4.55
1183.4901120	0.51
1195.6386720	0.98
1196.9324950	1.00
1199.7653810	2.12
1202.7170410	0.17
1208.0090330	7.89
1208.8192140	2.46
1210.9650880	0.61
1213.6740720	6.06
1214.3392330	5.25
1215.0361330	1.32
1219.4282230	20.01
1220.2551270	31.15
1220.9356690	0.68
1222.1766360	0.54
1225.6320800	1.20
1227.5495610	1.35
1231.2626950	2.06
1232.7800290	2.18
1236.4591060	0.91
1239.2404790	2.18
1242.7916260	2.07
1252.3342290	4.82
1253.3919680	0.99
1258.1645510	12.20
1258.8624270	2.52
1261.8604740	2.55
1270.0301510	2.73
1281.8287350	13.48
1282.5717770	5.08
1292.0965580	0.70
1302.4378660	0.45
1315.6553960	2.20
1319.4937740	2.61
1324.1527100	0.97
1325.3188480	0.49
1325.9410400	2.58
1331.5506590	0.91
1373.9268800	0.68
1426.6417240	0.79
1439.2749020	0.60
1458.5452880	0.40
1463.6866460	1.14
1530.1037600	0.23
1534.8441160	0.97
1554.7354740	0.22
1593.2235110	1.00
1597.4005130	0.27
1611.9930420	0.86
1613.8441160	0.34
1640.6832280	2.11
1654.6981200	0.56
1665.3536380	0.14
1677.8072510	0.88
1714.7972410	0.74
1723.1800540	0.19
1728.0660400	1.02
1733.5266110	1.09
1737.7647710	0.47
1743.2369380	0.55
1751.3229980	1.24
1762.3194580	0.79
1766.1076660	1.76
1780.2130130	0.92
1783.1960450	4.39
1786.6073000	2.19
1810.3366700	1.77
1818.5186770	0.40
1827.0417480	0.22
1830.3411870	0.52
1836.9283450	0.29
1841.2745360	2.54
1845.9587400	0.26
1848.8470460	6.48
1859.3029790	0.17
1865.9361570	25.94
1868.2371830	0.78
1871.8656010	0.78
1873.3304440	0.79
1874.4782710	0.21
1875.6384280	0.17
1876.8063960	0.31
1883.5280760	0.19
1884.9719240	0.53
1886.2032470	1.09
1888.0179440	0.48
1889.7668460	0.27
1898.0457760	0.14
1900.5251460	0.18
1901.5113530	6.61
1904.5114750	3.33
1906.1971440	1.87
1908.8190920	0.67
1910.2609860	56.19
1914.5277100	0.43
1915.1334230	0.35
1920.1643070	1.31
1921.2388920	5.12
1923.1541750	0.41
1923.9011230	1.35
1925.3746340	0.27
1926.4558110	26.14
1927.3577880	0.22
1928.5510250	0.34
1929.7668460	0.43
1930.3787840	0.21
1934.2196040	0.31
1935.7550050	5.32
1939.5936280	1.02
1941.1903080	5.44
1941.8385010	0.11
1942.8712160	2.37
1944.1099850	0.19
1944.8796390	0.13
1948.9500730	0.22
1952.7215580	2.45
1954.3663330	0.23
1955.0881350	2.19
1956.1888430	8.61
1958.6140140	23.38
1960.3311770	1.69
1961.1931150	0.30
1962.0821530	2.41
1963.3411870	0.53
1965.6292720	1.56
1966.7883300	2.45
1968.0402830	0.27
1969.4302980	0.71
1970.4151610	6.61
1972.3464360	16.85
1973.0769040	3.17
1974.2655030	5.21
1975.4426270	4.22
1976.3327640	2.73
1977.2244870	0.17
1980.2847900	0.14
1980.9576420	1.07
1982.5413820	8.38
1983.6949460	0.95
1985.5970460	1.12
1986.7579350	1.15
1987.7478030	1.74
1989.2269290	100.00
1991.5474850	0.40
1992.7574460	0.84
1993.6424560	0.14
1994.3303220	1.71
1998.3737790	0.66
1999.3566890	1.36
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
98.24103546	0.24
100.8717194	0.30
115.0007706	0.39
116.870285	0.28
118.9633484	0.47
121.1309814	0.33
123.0739441	0.94
124.9854355	1.30
130.7087708	0.38
131.9642029	0.53
133.2042389	0.47
135.0515442	1.59
137.0565796	1.81
138.1702576	0.43
145.0235138	0.39
149.070343	0.53
153.078064	2.20
157.166748	0.64
162.9092407	1.27
165.454834	0.25
167.1071472	0.96
169.1212463	1.81
171.1949158	1.01
173.1372375	0.41
175.4293213	0.41
177.1839142	2.70
180.8795624	0.30
183.0766602	0.92
185.0818634	0.28
187.1618347	2.52
195.0352783	1.35
197.3539886	0.24
199.1187439	1.03
200.9324951	0.66
203.2388611	1.52
205.0845337	0.68
207.4547424	0.26
209.3497925	2.32
211.1928101	1.44
213.0943604	3.19
215.2073669	2.44
217.1863098	0.32
219.4838867	0.58
223.2314758	1.39
225.1073303	2.40
227.0542908	1.38
229.0562134	2.13
233.0163879	3.22
235.2150574	2.82
237.211731	0.84
240.2132874	0.49
242.0277405	0.70
247.220459	2.93
249.1714478	4.19
251.225769	3.43
253.2043457	4.92
254.4446106	0.89
255.2241821	0.80
255.9263611	0.69
257.2150269	2.07
261.2501221	0.26
265.3831177	1.45
266.1016235	1.17
267.12323	2.21
269.3667603	1.80
270.0455322	1.76
275.2698669	17.20
276.3099365	0.41
279.3068237	0.45
280.1198425	0.86
281.1524353	1.06
283.2151184	13.17
288.1942444	0.53
293.2185669	100.00
294.1004333	2.41
296.6875916	1.65
298.9769287	0.51
301.5845947	1.07
308.4025269	0.90
310.5757446	1.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	490.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
147.9538422	100.00
149.0498810	15.50
247.2774048	1.80
262.2558289	1.50
344.2872314	2.09
372.2716675	1.73
419.8772583	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	511.1
Annotation	Unknow
Peak:m/z	Relative Intensity
156.0943756	0.83
169.9143524	0.17
197.8899689	0.25
215.9455414	0.38
227.2218475	1.40
247.3412476	0.20
259.9248047	2.03
261.1200562	0.22
289.1535034	0.71
340.2478638	0.93
348.1938477	4.03
349.2617798	2.07
353.1156616	100.00
354.1113892	0.20
363.9176636	0.52
371.3997803	0.30
374.9106445	0.11
382.0129395	0.15
393.0876465	0.16
394.0584717	0.19
413.0790405	18.15
430.2960815	0.74
450.8875732	1.24
451.5839233	0.47
493.5014038	0.56
494.2254639	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
58.9647827	4.10
66.8751297	1.48
68.9375915	1.08
71.0026474	5.32
80.9108581	1.57
83.0447998	1.54
84.9307327	71.92
87.0105286	18.03
92.9581451	48.01
95.8279266	0.19
96.9646454	0.10
99.0578003	4.21
100.9002533	0.57
102.9327393	0.83
108.9985504	16.67
110.9898376	48.38
113.0408173	0.12
126.9737091	97.03
129.1660156	0.28
130.8508759	0.54
137.0351868	2.42
142.9328766	2.72
144.9138641	2.29
146.9495239	2.89
152.9441223	4.00
155.0599213	8.98
171.0361938	28.26
172.9785309	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.1
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
99.41264343	1.74
102.7873535	1.10
104.9623947	0.90
130.7933502	1.82
132.8655701	0.34
137.2037506	1.89
143.9624023	0.42
145.0315247	3.17
163.0428925	100.00
175.0544739	1.14
177.150528	0.63
186.1757812	1.15
187.1263275	0.69
193.0383453	13.28
194.0471191	1.92
203.2504883	1.55
208.1208191	1.45
211.080307	0.85
219.0579224	0.84
221.3041382	0.49
227.7678223	1.37
229.1184692	0.94
232.943573	1.43
239.0201416	7.56
241.124054	1.12
261.1025085	2.50
262.2048645	1.01
267.1249695	1.12
277.0452576	1.95
282.5172424	2.22
283.413147	0.38
293.1015015	1.19
297.1240845	3.17
299.2001038	1.09
301.7366028	0.56
309.4746094	3.09
312.1099243	2.88
313.2147827	5.76
313.8764648	9.46
325.4156494	0.60
327.1890259	16.21
331.8120117	9.05
333.8183594	0.89
336.6690674	6.82
337.4477539	18.73
338.2685547	0.68
341.2573547	1.50
345.8186035	4.02
354.4891663	2.43
357.992157	1.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	254.0154
Annotation	Propyzamide
Peak:m/z	Relative Intensity
127.9183960	0.16
153.0189667	0.06
154.9862213	0.05
160.0639191	0.07
172.8780975	1.29
179.2176971	0.09
191.0586700	1.73
208.1311798	0.92
210.1857147	0.46
225.3161621	0.08
236.0286407	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	579.27
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
179.1926575	0.05
250.2648468	0.18
274.0194702	0.27
304.3356323	0.07
305.3600464	0.26
306.5061340	0.08
321.3236084	0.12
323.3001709	0.34
341.2630005	0.18
353.2864380	0.17
386.6968384	0.10
407.1040039	0.05
417.3726196	0.12
431.4166260	0.75
434.2237549	0.24
488.9019165	0.13
489.9223633	0.29
493.3077393	0.16
512.0916138	0.11
515.0592651	0.22
517.3863525	0.15
521.3862915	0.11
533.4666138	100.00
535.4337769	0.12
543.2849731	0.38
555.4512329	0.12
556.6013184	0.47
559.8775024	0.10
561.3667603	0.46
562.4440918	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	975.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
318.3994751	0.26
338.0447998	0.48
384.3678894	0.21
435.1823730	0.17
520.2775269	0.23
568.4795532	0.13
654.2736206	0.16
682.2419434	0.23
700.6305542	0.32
816.4633789	0.11
843.1496582	0.31
860.6076660	0.72
870.5082397	0.82
879.0431519	3.92
881.9754028	1.12
886.3552856	0.86
899.4837036	2.94
901.8537598	2.71
903.9544067	3.62
906.2509155	7.72
910.2359619	4.18
910.9196167	12.90
912.5689697	1.20
920.9908447	5.73
922.2722778	2.20
922.8880005	0.82
923.6511841	1.29
924.6749878	9.64
925.2948608	13.52
926.0127563	1.34
927.7417603	5.88
929.4614258	100.00
930.5253296	0.59
931.3684082	1.05
932.5186768	14.63
933.3153687	1.30
936.8555908	0.11
939.8494263	3.22
941.8008423	0.57
944.8168945	2.26
946.0253296	8.57
946.9731445	2.81
948.5540161	12.92
950.1475220	13.37
950.8789062	1.65
952.0438843	2.14
952.9050293	23.84
955.1735840	1.94
956.6344604	2.29
957.3400269	65.59
958.3096313	2.50
959.1796265	0.56
960.4111328	0.70
961.4860229	0.24
963.4581909	0.62
964.6203003	2.45
965.3095703	0.21
989.7072144	0.95
1018.5314330	0.59
1023.0006710	0.25
1042.3520510	0.18
1075.1287840	0.89
1082.8565670	0.61
1087.6998290	0.42
1093.9134520	1.13
1095.5545650	2.18
1099.0842290	0.68
1104.6367190	1.62
1105.2707520	1.53
1110.4597170	0.59
1116.5568850	1.00
1121.0489500	2.07
1128.6733400	1.13
1136.8399660	2.94
1137.5332030	2.11
1142.1320800	0.70
1143.7355960	2.98
1144.5178220	1.40
1145.9901120	1.26
1149.7329100	0.63
1150.4315190	0.54
1155.4598390	2.48
1156.5000000	1.38
1157.5657960	1.59
1158.7358400	1.10
1159.3928220	0.19
1162.9370120	0.76
1165.4414060	2.83
1168.6684570	5.25
1169.3615720	4.02
1171.3306880	2.14
1175.0686040	5.19
1175.6958010	0.23
1180.8052980	8.98
1181.7890620	1.94
1182.5480960	2.36
1185.0758060	1.57
1185.9455570	0.32
1187.1076660	1.39
1188.1098630	1.77
1189.3134770	0.23
1190.2783200	1.18
1192.3415530	0.13
1194.0932620	1.39
1195.1029050	1.18
1195.8475340	1.26
1202.3315430	0.80
1202.9553220	0.27
1204.8370360	2.02
1206.3596190	1.30
1207.2260740	2.30
1208.3599850	0.36
1211.6569820	0.76
1213.8171390	15.86
1214.4938960	1.93
1219.2668460	2.10
1221.7221680	2.10
1222.8125000	0.69
1223.6011960	0.24
1227.3146970	1.87
1230.2940670	0.53
1231.4262700	2.71
1232.7430420	9.47
1233.6673580	3.63
1234.6928710	1.72
1236.9542240	6.34
1238.8206790	65.15
1239.6301270	7.98
1242.7119140	24.84
1243.5032960	4.47
1244.8408200	0.28
1246.6118160	0.63
1249.8125000	0.65
1251.4293210	1.03
1271.1589360	1.08
1273.9007570	1.43
1275.4812010	1.51
1276.2961430	2.16
1276.9357910	1.76
1301.2410890	0.40
1325.4855960	0.23
1327.8149410	0.33
1466.7102050	0.46
1474.8485110	0.41
1506.2901610	0.56
1514.8527830	0.55
1534.8792720	0.36
1539.4241940	0.22
1553.9598390	0.17
1595.9664310	0.23
1615.3735350	0.20
1617.7774660	0.17
1643.5686040	0.20
1659.5511470	0.17
1709.8874510	0.17
1730.9035640	0.86
1732.7733150	0.33
1736.8062740	0.53
1739.7204590	0.82
1741.4938960	0.41
1744.0686040	0.36
1750.8015140	0.32
1754.9283450	0.78
1768.3601070	0.19
1778.5490720	0.29
1795.7209470	1.13
1797.6934810	0.21
1806.9118650	3.18
1807.6267090	3.91
1808.4320070	0.59
1811.4484860	0.53
1815.8717040	0.99
1817.8327640	0.12
1823.0583500	0.45
1824.6140140	0.32
1826.2580570	0.10
1830.8878170	1.60
1838.9577640	0.41
1843.1912840	2.12
1847.5587160	0.16
1853.8278810	0.13
1858.4468990	0.19
1861.6920170	0.76
1869.5540770	0.70
1873.0545650	0.63
1878.3428960	4.08
1879.1262210	0.23
1883.6278080	3.12
1884.9055180	0.19
1886.0404050	0.45
1889.4000240	0.84
1892.1817630	0.15
1893.4293210	0.70
1895.5618900	0.31
1896.4700930	0.63
1898.8430180	3.50
1899.9031980	4.35
1902.3905030	0.52
1909.7398680	0.17
1910.5074460	2.51
1911.9486080	0.67
1913.5896000	0.86
1915.2354740	10.79
1915.9364010	17.11
1924.3800050	0.50
1925.5021970	7.30
1926.3548580	0.46
1929.7254640	0.57
1930.8244630	3.81
1931.4696040	2.77
1932.8601070	0.67
1933.8937990	0.20
1935.4904790	0.12
1936.6354980	1.64
1937.7603760	0.44
1939.3068850	0.46
1939.9691160	0.31
1943.4847410	1.26
1944.7147220	3.34
1946.6882320	1.48
1947.5794680	1.45
1948.3568120	0.07
1952.4761960	0.47
1953.6188960	4.72
1956.1613770	3.97
1960.1003420	0.17
1960.7701420	0.12
1961.4281010	0.13
1963.7740480	1.24
1966.7503660	3.43
1968.0134280	0.12
1969.4935300	0.12
1971.1179200	0.34
1972.2585450	0.20
1974.7767330	0.09
1975.7127690	16.65
1976.6862790	1.41
1978.0578610	0.20
1979.6986080	1.87
1980.8409420	0.52
1982.4537350	6.78
1983.7023930	2.52
1985.2146000	0.76
1986.0872800	4.87
1987.2706300	0.15
1988.7479250	2.30
1989.4342040	0.87
1994.3693850	0.82
1997.4925540	0.08
1999.2569580	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	785.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
553.1198120	0.12
554.9304199	0.39
577.3670654	0.05
582.2467651	0.14
588.7715454	0.02
589.4856567	0.07
590.1483154	0.23
593.5383911	0.04
605.1233521	0.20
639.0767212	0.16
640.6130371	0.09
651.2954102	0.08
682.9077759	0.12
692.5715942	0.11
699.3218384	0.09
701.5591431	46.98
703.5062866	0.06
704.2909546	0.09
711.3698120	0.03
729.2525024	0.16
730.5404053	0.05
734.3762207	0.08
736.4004517	0.06
739.4194946	100.00
740.8148804	0.06
743.4069214	0.07
748.3547974	0.16
752.8646240	0.20
755.4807129	0.18
756.4755249	0.15
757.5802002	0.04
763.0214844	0.16
766.8706665	0.47
767.5364990	0.08
771.7458496	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	886.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
323.0431519	0.06
383.0600586	0.18
500.1514893	0.31
537.3516846	0.39
558.6196899	0.18
607.3391724	0.15
694.2049561	0.16
701.7902832	0.15
704.6545410	3.56
723.7748413	0.58
746.4835205	0.19
753.1856689	0.18
782.3855591	0.15
784.6416016	0.10
789.1725464	0.12
801.4266357	0.09
840.7060547	0.07
848.6552124	1.37
850.5781860	100.00
869.4821777	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	886.189
Annotation	Unknow
Peak:m/z	Relative Intensity
272.3060303	0.12
352.6296692	0.15
398.6811218	0.30
447.1143799	0.32
520.7117310	0.75
577.5676880	0.31
610.7345581	0.39
613.8755493	0.47
781.5617065	0.40
790.6302490	0.23
802.7590942	0.55
805.1948242	0.55
808.4282227	0.87
813.0504150	1.54
817.9878540	0.69
828.6607056	0.28
834.3276978	2.28
837.7416992	1.59
840.1468506	2.55
845.8232422	3.44
848.9966431	4.83
849.6645508	4.44
850.6132812	1.05
851.6278687	2.84
852.9395752	9.08
853.5886230	2.25
854.5332031	5.21
855.4850464	3.18
858.3173828	7.38
859.0740356	2.00
860.1217651	3.49
860.8724976	4.88
861.6972046	0.34
863.7266235	1.06
864.4023438	2.99
867.2911987	4.59
868.9658813	7.30
869.9152222	4.57
870.7468872	6.44
871.8268433	0.31
872.9401245	3.01
873.9515991	8.67
874.7698975	14.04
875.8330688	3.58
877.8200073	5.23
880.7954712	0.22
887.3586426	0.42
907.5632935	1.09
925.0200195	1.11
942.9805298	1.33
954.0798950	1.29
956.2216187	0.52
957.7714844	1.55
975.7702637	2.91
977.7197266	0.42
979.0563965	1.42
980.1744995	1.16
982.3002319	2.29
989.2402954	1.10
991.4412231	1.11
994.2327271	0.96
994.8812866	0.93
996.2146606	3.48
997.4409790	1.10
1004.6419070	1.96
1007.3906250	3.59
1009.8945310	2.52
1010.5261840	0.56
1013.9855350	1.02
1019.7039180	0.84
1020.4129030	1.44
1021.4854130	0.87
1023.2207030	1.98
1024.2504880	0.37
1025.5421140	2.94
1026.4926760	6.52
1028.5429690	3.96
1029.9642330	1.82
1032.8493650	3.79
1036.6838380	1.73
1037.3685300	1.72
1038.1184080	1.08
1039.2443850	3.59
1040.4921880	5.76
1041.1243900	3.65
1042.7290040	6.79
1043.6403810	4.94
1044.7177730	4.48
1046.7675780	11.34
1047.4860840	0.82
1048.2709960	0.73
1048.8941650	0.60
1049.5722660	1.39
1050.5288090	12.21
1051.6727290	14.90
1052.5825200	1.63
1054.6955570	10.80
1055.5838620	4.64
1056.6705320	2.86
1057.6857910	1.69
1059.1180420	2.14
1061.0073240	1.52
1061.6888430	2.89
1062.7004390	0.59
1064.0327150	3.53
1065.2646480	14.57
1066.0629880	11.76
1067.3261720	12.35
1068.3159180	12.52
1069.1396480	1.90
1070.5697020	11.70
1071.7133790	12.39
1072.5480960	12.62
1073.4215090	1.24
1074.6483150	13.87
1075.5375980	92.49
1077.2116700	1.33
1079.0396730	20.29
1079.8015140	100.00
1080.9724120	0.51
1081.7492680	1.19
1083.2216800	3.35
1085.1420900	1.55
1086.7336430	0.18
1087.3940430	0.40
1091.3352050	1.01
1094.1778560	1.87
1100.4304200	0.21
1146.4720460	1.21
1150.1708980	1.72
1179.4270020	0.31
1200.2230220	1.07
1205.8090820	0.24
1212.3132320	0.53
1220.3107910	0.15
1222.3872070	0.60
1228.6481930	0.17
1233.7609860	1.15
1242.1540530	1.08
1244.5540770	1.69
1251.1947020	1.34
1263.7498780	0.31
1268.8341060	0.21
1269.5345460	0.40
1281.0773930	3.21
1287.8735350	0.33
1289.1372070	0.28
1291.9351810	3.77
1292.9801030	0.54
1295.3563230	1.01
1299.5124510	2.93
1302.3270260	0.17
1303.5421140	0.72
1305.3734130	1.36
1306.4034420	1.57
1307.3060300	0.79
1310.5472410	0.96
1311.2254640	1.16
1315.5286870	1.21
1316.5064700	2.06
1319.5814210	0.80
1322.8900150	0.40
1325.3328860	0.41
1326.0406490	1.10
1328.7518310	0.45
1329.5733640	1.48
1331.2799070	0.79
1332.8072510	0.62
1333.9334720	1.08
1337.8469240	1.01
1339.7545170	0.64
1345.1903080	4.81
1347.9256590	1.05
1351.1619870	0.88
1352.2366940	1.54
1355.8386230	0.57
1361.7413330	2.04
1362.5333250	1.17
1363.3210450	0.86
1364.2691650	0.44
1368.2136230	0.54
1372.8066410	3.03
1378.9132080	0.67
1383.1080320	1.68
1384.5887450	1.40
1385.6713870	1.13
1387.0007320	0.57
1388.8098140	0.84
1389.7059330	1.90
1393.9224850	0.91
1394.6220700	1.15
1395.8146970	0.19
1399.0347900	0.94
1401.3557130	5.80
1402.9364010	0.73
1405.3460690	0.53
1451.3394780	0.71
1509.0814210	0.42
1514.8636470	0.60
1525.5814210	0.15
1559.8892820	0.18
1599.3521730	0.18
1599.9595950	0.17
1603.3098140	0.14
1614.8469240	0.16
1652.2883300	0.38
1654.3695070	0.09
1688.8884280	0.96
1712.6237790	0.19
1720.1560060	0.53
1740.7047120	0.28
1746.0191650	0.13
1756.5598140	0.09
1762.9235840	0.52
1773.5906980	0.15
1785.0416260	0.27
1800.0970460	0.91
1808.2927250	0.29
1812.5617680	0.38
1816.7834470	0.85
1829.9738770	0.58
1834.6579590	0.31
1839.1693120	0.21
1845.9884030	1.99
1847.2510990	1.02
1850.7917480	0.12
1859.1077880	0.29
1864.8211670	0.45
1865.9171140	1.32
1868.0510250	1.64
1872.6467290	2.24
1874.1629640	0.12
1878.5794680	0.10
1879.4602050	0.39
1896.2146000	4.39
1897.6822510	0.38
1899.6785890	2.01
1901.4644780	6.55
1905.7331540	1.13
1907.4000240	0.61
1910.0510250	0.30
1913.6424560	1.06
1915.1429440	0.31
1919.0228270	1.03
1919.8372800	0.43
1921.0784910	0.45
1921.8347170	0.14
1922.4998780	0.79
1927.2331540	1.89
1928.6292720	0.32
1932.3187260	3.57
1934.3065190	0.10
1937.0968020	0.29
1943.4798580	2.17
1945.8602290	1.40
1947.3098140	2.21
1949.7559810	11.34
1952.2429200	1.99
1953.9919430	3.32
1956.3306880	0.16
1957.5020750	1.41
1959.1512450	2.16
1959.7917480	0.89
1960.8024900	12.95
1962.8265380	0.44
1964.1169430	0.31
1965.4909670	0.21
1966.4886470	0.98
1967.2312010	3.39
1969.1090090	1.48
1976.0363770	2.85
1977.4735110	0.14
1983.8074950	1.13
1985.6312260	9.52
1986.6448970	0.29
1989.1612550	3.98
1990.8753660	0.46
1991.7541500	0.25
1992.5070800	0.24
1993.2215580	3.08
1994.6048580	0.37
1998.3726810	0.51
1999.6239010	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	560.3957
Annotation	gamma-Solanine
Peak:m/z	Relative Intensity
159.2907562	0.03
162.3197021	0.05
163.1792297	0.06
165.0312805	0.31
171.2178345	0.24
172.3397369	0.05
177.1424255	0.11
181.7655029	0.06
183.2919006	0.22
184.0574493	0.10
187.0870209	0.11
194.2660217	0.09
197.3851929	0.11
199.6228485	0.09
204.8647766	0.07
211.3129272	0.07
215.2883301	0.07
224.2177124	0.10
237.2289124	0.19
250.5759430	0.06
253.2367249	0.60
259.3197632	0.13
260.5596924	0.19
272.3375244	0.11
310.3124390	0.12
324.4837036	0.12
325.2454834	0.32
326.4346924	0.14
339.3889771	0.50
340.5588989	0.40
342.5293579	0.07
352.6536865	0.39
365.4247437	0.07
366.5504150	2.05
367.6235962	1.39
368.4069824	0.07
378.3066406	0.20
380.4428711	6.68
381.4504395	2.33
382.3452759	0.03
383.2910767	0.08
384.4979858	0.57
385.3762207	0.39
398.5307617	100.00
399.5972900	23.39
412.3637695	0.14
413.3849487	0.15
426.5479126	0.11
427.5632935	0.07
437.8120117	0.21
440.4676514	0.14
441.6270142	0.08
452.7216797	0.14
468.3472290	0.08
470.6883545	0.27
482.9211426	0.10
499.2375488	0.08
501.8515015	0.29
528.6489258	0.30
543.5274048	0.04
544.4588013	0.09
545.4251709	0.13
557.6262207	0.03
560.5168457	19.11
561.3012695	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
104.1039963	1.36
104.9515686	0.73
117.9885483	0.44
121.9614182	0.32
132.9893188	11.36
134.9337158	0.31
141.2309265	0.60
150.0126343	100.00
173.3496857	0.44
176.9992981	0.17
180.0048065	2.55
190.9761200	0.24
192.9010162	0.36
198.0422668	0.17
212.8645325	0.32
226.1583862	0.48
227.1861877	0.26
236.9286194	0.23
241.3092346	0.65
254.9384155	0.38
256.0936584	0.14
280.2648621	1.19
281.1307983	0.16
282.2768250	0.44
285.2232056	0.55
298.0473938	0.17
323.4549866	1.53
324.3250732	1.46
333.4229126	1.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	839.3109
Annotation	BMY 42448
Peak:m/z	Relative Intensity
302.1410217	0.46
338.3044434	0.11
431.3398438	28.26
633.3103027	0.13
635.2315674	100.00
635.9387207	0.24
647.3743896	0.05
653.3535767	0.07
659.4671631	0.23
791.2433472	0.13
792.9252319	0.28
802.2284546	0.12
805.1835938	0.16
820.7201538	0.06
821.4320068	0.33
824.0056152	0.16
827.2739868	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	639.592
Annotation	Unknow
Peak:m/z	Relative Intensity
193.2759705	0.16
218.2244263	0.12
221.0560913	0.12
239.5793915	0.09
245.1261597	1.25
248.1072998	0.37
261.3913574	0.13
289.2108154	0.75
289.9598389	0.08
293.3782654	0.11
329.9124756	0.14
331.2785339	0.75
332.3717651	0.16
341.3975220	0.44
343.6455688	0.81
344.3478394	0.76
366.7739868	1.53
367.5094604	0.58
375.8372192	0.91
389.3517456	0.14
393.4597778	0.49
411.5199585	49.17
412.4387207	2.56
413.3061523	0.24
415.2429810	0.22
434.6475220	0.12
444.2450562	0.42
458.0515747	0.11
461.8912354	0.32
463.5563965	0.05
464.3677979	0.09
466.5003662	0.39
475.9766235	0.06
478.4738159	5.37
479.4091187	0.59
480.6490479	0.18
491.7299805	0.73
492.3867188	0.07
501.3444824	0.11
502.0667725	0.05
504.0503540	0.11
506.4252319	0.33
507.2943726	0.12
532.1232300	0.12
541.6731567	1.45
542.5798950	0.07
543.4845581	0.34
547.7767334	0.12
554.8483276	0.20
559.2539673	0.24
564.4457397	0.10
566.0648804	0.07
569.9935913	5.51
570.9739990	1.14
571.7274780	0.31
573.0962524	1.14
573.7911987	0.35
574.6962891	0.59
577.4536743	3.67
578.3768921	0.82
579.2430420	18.52
580.0837402	2.17
581.0177002	0.32
581.7750244	0.87
583.2739868	0.09
584.8807983	0.13
586.3197021	0.20
587.1747437	0.11
594.5158691	0.06
602.9703369	0.37
604.6013794	0.73
605.4179077	0.56
606.3890991	0.22
611.5725708	2.43
612.3551025	0.88
613.4871826	0.44
617.6927490	31.01
618.6315308	4.22
619.3539429	0.21
620.2654419	0.69
621.5606079	0.39
622.3178101	0.06
623.4639282	1.24
624.1614990	0.05
625.9173584	0.24
627.4550781	0.29
629.0529175	0.09
651.5055542	0.21
652.1835327	0.50
658.6062622	0.25
660.8591919	1.65
662.2120972	0.11
663.7579346	0.40
664.6414795	0.20
674.5593872	0.25
680.9957886	0.07
684.3567505	0.89
685.0711670	0.27
686.6007080	0.61
687.6448364	0.39
690.7307129	0.08
693.7634277	11.97
694.8067017	0.72
695.7410889	0.89
697.0659180	0.21
705.1856079	0.40
724.6027222	1.50
725.4685669	1.14
726.5759277	0.32
732.6326294	3.19
733.6354370	1.23
734.8119507	0.06
737.1007690	0.21
738.4531860	1.62
742.6655884	3.29
743.3543701	1.04
744.5054932	0.80
751.0153809	0.08
758.1889038	1.72
759.3583984	0.43
769.6924438	0.08
774.4495239	0.26
776.5948486	0.12
778.3765259	0.06
779.8027954	13.19
780.7023315	11.42
781.8557739	0.68
782.5733032	0.10
784.6865234	0.24
787.6152954	0.25
788.4706421	0.11
791.1005249	0.22
793.1439209	0.11
794.5079956	0.31
797.6492310	0.37
800.6284790	0.10
803.6143188	0.22
804.6087036	0.17
811.5216064	29.10
812.1674805	44.92
813.1906738	1.92
814.6006470	0.58
816.7597046	0.27
821.5780640	22.98
822.7262573	15.49
823.6020508	10.41
824.3120728	0.22
825.2777710	0.10
826.0349731	0.35
826.9362183	0.13
827.7518921	0.10
830.8143921	0.35
835.8828735	1.40
836.4966431	0.25
839.4550781	0.14
841.9089966	0.28
842.8147583	0.07
848.0247192	0.08
849.4909668	0.79
850.2271118	0.13
854.9882812	0.43
855.8581543	0.43
859.2128906	1.13
860.2723999	0.97
861.0859985	0.40
868.3777466	100.00
869.2589722	15.23
870.1959839	0.41
871.1218262	0.93
871.7910156	0.06
873.6733398	0.08
878.6968384	0.12
886.1572876	0.33
886.8019409	0.59
887.9006348	0.83
891.6843872	0.31
897.6652832	0.37
919.6633911	0.57
934.1938477	0.45
935.7655640	0.59
936.7690430	1.67
939.5264282	0.15
948.6563110	0.31
959.3332520	0.08
963.6015625	0.23
978.6196899	0.06
990.4369507	5.52
991.2043457	1.66
997.9343262	0.11
1001.7721560	0.22
1012.4772950	0.05
1021.1262820	0.15
1022.8742070	0.20
1040.0581050	3.04
1041.2801510	0.28
1049.7873540	0.75
1051.8034670	0.15
1099.2734380	0.21
1113.1525880	0.29
1113.7993160	0.68
1114.6354980	1.16
1116.1156010	0.06
1118.0620120	0.17
1121.7268070	0.09
1157.2861330	0.10
1169.6993410	1.00
1170.7651370	1.02
1184.0043950	0.09
1193.8676760	0.12
1214.4796140	0.13
1215.1221920	0.12
1231.7340090	0.34
1250.6927490	0.12
1260.4830320	0.04
1303.5535890	0.48
1311.0750730	0.30
1359.8529050	0.32
1361.2864990	0.33
1418.0257570	0.27
1440.7103270	0.39
1459.6007080	0.05
1475.0963130	0.07
1478.9021000	0.12
1498.2718510	0.38
1515.7489010	0.39
1519.8001710	0.62
1541.1834720	0.09
1604.2579350	0.09
1607.0567630	0.24
1607.9735110	0.11
1613.0446780	0.11
1623.3195800	0.09
1629.4421390	0.10
1661.0076900	0.15
1716.8153080	0.05
1722.7326660	0.11
1728.4898680	0.06
1735.4769290	0.16
1737.2733150	0.62
1749.1148680	0.25
1776.1607670	0.13
1788.1916500	0.08
1795.2789310	0.27
1811.0076900	0.17
1819.7984620	0.20
1834.7127690	0.57
1838.8126220	0.45
1839.5992430	0.04
1841.5267330	0.29
1846.0222170	0.26
1846.9328610	0.08
1847.9398190	0.05
1850.5579830	0.10
1851.7019040	0.12
1852.3900150	0.08
1854.6312260	0.07
1855.5926510	0.11
1856.3826900	2.16
1857.1014400	0.06
1860.4279790	0.10
1862.7205810	0.10
1864.1929930	0.08
1868.2600100	0.10
1871.4049070	0.09
1874.2546390	0.13
1876.3328860	0.40
1879.5552980	0.06
1880.7039790	0.25
1886.7584230	0.25
1887.9289550	0.28
1891.1407470	0.81
1892.0812990	0.67
1893.3739010	0.36
1894.4473880	0.49
1897.3377690	0.08
1899.0782470	0.06
1900.3870850	0.73
1903.6182860	0.19
1905.3001710	0.36
1906.6500240	0.05
1908.0897220	0.38
1910.6175540	0.17
1917.7365720	0.11
1920.1208500	0.52
1922.6608890	1.88
1924.2178960	0.19
1925.9416500	1.45
1926.8225100	3.01
1927.4510500	0.43
1929.7897950	0.31
1930.4359130	0.05
1931.6768800	0.12
1933.3312990	0.11
1934.8785400	0.38
1936.6286620	0.13
1937.2618410	0.05
1938.0408940	0.37
1939.4738770	2.76
1942.4642330	0.05
1944.8001710	0.34
1946.0701900	0.05
1948.3912350	0.07
1951.8533940	0.42
1953.1198730	5.58
1957.0930180	2.28
1958.9237060	0.26
1961.7503660	0.12
1963.8571780	0.06
1965.2819820	0.22
1966.7276610	0.19
1967.3377690	0.15
1968.5164790	2.58
1969.4964600	2.03
1970.1804200	0.06
1972.4322510	3.32
1973.3616940	4.22
1974.1356200	1.83
1975.9812010	7.60
1976.8975830	0.21
1979.7629390	2.44
1980.6636960	0.12
1982.0045170	4.51
1983.4167480	0.16
1984.6624760	0.26
1985.4364010	1.37
1987.6682130	32.49
1988.5358890	0.94
1989.7556150	2.35
1990.4244380	1.11
1991.5676270	0.36
1992.9655760	0.34
1996.1467290	0.45
1997.1898190	6.86
1998.8937990	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	132.1
Annotation	3-Aminocaproic acid
Peak:m/z	Relative Intensity
85.9152679	100.00
86.7298660	0.08
132.1779938	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	251.1384
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
71.95986176	1.51
88.95623779	8.30
97.88996887	0.46
113.9804382	5.02
114.9703827	1.72
116.7750092	0.36
135.1124725	0.08
137.9463043	1.11
146.0842896	0.22
156.8895111	0.12
160.9437714	0.17
163.0332489	6.35
172.6360321	0.11
174.9766541	0.24
180.2529297	0.33
181.0988922	0.14
192.1820679	7.01
209.2341766	0.70
209.8947601	0.36
223.1940918	0.23
228.1483154	0.04
234.1084595	100.00
236.1198273	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.326
Annotation	Unknow
Peak:m/z	Relative Intensity
134.2291107	0.80
134.9099426	0.13
157.8117371	0.56
173.0885468	0.17
183.1518250	0.27
196.1362457	0.30
207.3875122	0.23
211.2183533	0.21
212.3980560	0.10
219.5349121	0.39
220.2239075	0.23
222.2207336	0.25
245.2643433	0.81
250.5196838	0.21
251.3062439	0.50
255.4011841	0.44
262.2662659	36.62
262.9246826	0.07
264.3038330	2.30
265.3730164	0.10
273.4875793	0.15
278.0519714	0.10
279.2296753	0.52
280.4179077	23.00
291.3806152	0.13
292.4987793	0.87
298.1784668	5.77
305.2029419	0.53
322.3723145	0.38
327.2589722	0.26
331.3964844	0.31
334.5550842	0.30
344.2135620	0.27
347.1993713	0.39
351.3316650	0.27
371.1850281	0.37
372.2529297	0.30
385.5707397	0.12
389.1869812	0.21
397.4438782	0.28
400.4323120	0.47
401.4856873	0.28
404.9462585	0.99
406.2371826	0.55
411.9669495	0.58
412.6343689	0.40
414.4064636	0.11
415.2330627	0.78
419.3009338	0.31
424.3957825	2.99
425.1934204	0.22
442.3285217	100.00
443.2257385	0.74
459.5894165	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	755.06
Annotation	Unknow
Peak:m/z	Relative Intensity
249.3461609	0.31
317.2445679	0.27
348.8835754	0.07
369.5082397	0.10
389.6372681	0.44
447.4910889	0.28
484.5020752	0.10
502.4309082	3.87
503.2141724	0.38
564.5185547	0.38
574.3230591	0.11
591.1896973	0.27
615.6628418	0.51
616.4692383	0.21
622.0571899	0.14
669.4363403	0.08
703.9815674	0.10
719.2257690	0.60
725.5675659	0.32
730.2131348	0.18
742.9449463	0.58
770.0604248	0.59
778.7155151	0.34
779.5484009	0.85
783.1443481	1.26
784.2662354	0.32
799.0869751	0.27
805.8878174	1.83
806.5122681	0.06
807.7908325	0.54
808.7100830	0.07
815.4445190	0.14
816.8605957	0.50
843.4383545	0.25
852.3246460	0.91
862.7779541	1.13
863.4558716	0.15
864.3140259	0.14
879.6393433	0.13
904.6503296	0.65
908.3410645	0.20
908.9479370	1.38
913.2590942	2.67
929.0397339	0.65
933.3852539	4.60
936.0512695	0.07
938.0504761	11.23
939.6762695	0.03
941.4086914	0.14
943.7136230	0.10
950.3024902	0.13
961.0581665	0.08
967.6156616	1.12
974.0336914	1.78
974.9824829	0.84
978.6821289	8.66
979.6666870	0.23
981.9920044	0.59
999.9751587	0.26
1007.0598750	0.77
1054.8781740	0.39
1072.0720210	0.19
1076.1864010	0.06
1119.7844240	0.17
1214.4093020	0.22
1250.4086910	0.53
1359.6806640	0.23
1459.0919190	0.16
1467.0609130	0.16
1529.7491460	0.10
1554.5158690	0.05
1643.7674560	0.19
1678.4216310	0.06
1686.6475830	0.09
1703.2948000	0.23
1723.6392820	0.21
1729.6934810	0.22
1736.5469970	0.06
1750.2601320	0.17
1757.2277830	0.13
1763.2205810	0.08
1764.7117920	0.06
1769.4991460	0.07
1780.9328610	0.12
1787.7269290	0.53
1792.0152590	0.04
1806.4171140	0.14
1809.6066890	0.45
1815.3820800	0.05
1819.8099370	0.04
1820.9553220	0.06
1831.6993410	0.07
1836.0759280	0.07
1840.6774900	0.08
1851.5676270	1.20
1854.7502440	0.12
1860.7860110	0.06
1869.0147710	1.80
1873.5623780	0.13
1877.7879640	0.21
1890.0552980	0.10
1896.6578370	0.59
1897.9888920	0.20
1906.1452640	0.04
1906.9356690	0.66
1908.0866700	9.76
1909.9144290	0.08
1913.8957520	0.28
1915.0736080	0.25
1918.0876460	0.07
1920.5069580	0.26
1924.1959230	0.23
1925.3358150	0.07
1926.4625240	0.05
1928.1229250	0.17
1933.1593020	1.23
1934.5736080	0.89
1936.3658450	0.37
1937.0394290	2.74
1938.3875730	0.15
1939.2735600	0.48
1943.0313720	0.78
1944.2918700	0.95
1946.2515870	0.23
1947.2879640	0.27
1948.0910640	4.96
1948.9899900	0.11
1950.1097410	0.75
1951.4168700	0.07
1957.9582520	0.18
1959.2608640	0.52
1963.0604250	1.51
1963.7795410	0.36
1965.4219970	0.18
1967.4837650	0.50
1968.7493900	13.45
1970.0974120	0.43
1971.5622560	100.00
1974.0562740	0.26
1975.8541260	0.49
1978.6207280	0.18
1979.2257080	0.19
1980.9533690	0.11
1982.7780760	0.11
1984.1232910	0.60
1986.6463620	6.15
1987.5955810	0.63
1988.6595460	1.20
1990.4636230	2.51
1992.3656010	69.40
1993.2091060	4.72
1993.8663330	0.32
1995.0051270	1.33
1996.4959720	7.46
1997.9622800	4.76
1998.9274900	0.67
1999.9957280	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	755.2036
Annotation	Orientin 4'-O-glucoside-2''-O-rhamnoside
Peak:m/z	Relative Intensity
285.1080322	0.60
353.1759644	0.20
402.2673950	0.10
405.5623169	0.06
447.2319336	0.04
471.4238892	0.11
532.0390015	0.40
542.5228882	0.04
561.3336792	0.09
579.4598999	0.11
593.2976074	100.00
594.3587646	31.07
596.4257812	0.19
604.3194580	0.11
635.1206055	0.16
641.5907593	0.24
667.6913452	0.12
671.3375244	0.08
683.0396729	0.05
691.7493286	0.09
711.4521484	0.63
733.7304077	0.86
737.7471313	0.07
738.6782837	0.12
740.8428955	0.05
756.6869507	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
72.9437332	0.26
80.9676895	0.59
84.7124939	0.02
86.9970093	0.05
98.9357452	0.72
112.8965149	0.73
116.9853516	0.95
124.9633026	20.74
128.9510040	1.74
130.9388428	0.13
143.0193939	7.92
147.0151825	5.38
151.6882782	0.07
161.0855408	1.37
163.0901031	0.06
168.9987946	1.64
178.9795685	0.08
186.8927002	0.54
203.0101776	0.04
205.0243530	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1433.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
483.3872070	0.18
543.5366821	0.07
560.5064697	0.62
561.5435181	0.25
578.1807251	0.26
589.7379150	0.53
607.4105225	0.58
612.2343750	0.15
625.3661499	0.24
627.2305908	0.24
633.4221191	0.11
634.3242798	0.14
639.4229126	0.61
641.4990234	0.61
648.6104736	0.15
650.6473389	0.12
659.3075562	0.85
662.2050781	0.89
673.4760742	0.28
705.5961914	1.16
741.7111816	0.18
749.2485352	0.13
750.2584229	0.08
760.4616699	0.49
766.3489990	0.52
767.9645386	0.07
774.3050537	0.11
784.4719238	0.22
786.5289307	0.08
790.4245605	0.19
796.3433228	0.14
802.3233643	0.19
813.4824219	0.13
817.1209717	0.25
821.8692627	0.58
827.5109253	0.13
847.3814697	0.26
853.0769043	0.14
854.5971680	0.15
859.2571411	0.19
865.3558350	0.20
871.4558716	0.53
881.2283936	0.12
892.0724487	0.13
896.7619629	0.42
898.7703857	0.58
902.2454834	0.47
906.9934082	1.10
908.6741943	0.66
913.6580811	0.72
917.2711182	0.28
919.3875732	0.19
929.6431885	1.09
931.9251709	0.11
950.3771973	0.53
952.9787598	0.14
959.6512451	0.75
960.4542236	0.37
962.2525635	0.45
963.7542725	0.27
965.3690186	0.37
966.2135010	0.53
967.3422852	0.56
968.2384033	0.22
970.4251709	0.64
974.1837158	0.21
978.9066162	1.66
980.3366699	3.37
981.3129883	0.74
981.9354248	0.48
985.8474121	1.10
989.5709229	1.44
990.2786865	0.93
991.8608398	0.70
992.8201904	0.70
994.2209473	0.64
995.3161621	1.38
996.1656494	1.69
997.8996582	0.33
998.7287598	0.47
1000.6739500	0.51
1001.5352780	0.82
1002.2229000	1.30
1003.0397950	4.58
1004.3551030	1.61
1005.2659910	0.40
1006.7464600	0.47
1008.2205810	0.74
1008.8486330	0.29
1010.6297610	0.49
1011.9547120	0.72
1013.6437990	0.41
1014.9191890	1.21
1015.9908450	0.28
1017.2961430	6.61
1018.1379390	4.79
1018.9022220	3.76
1021.4199220	0.39
1022.1762700	0.49
1023.6937260	0.18
1024.4812010	0.38
1026.1145020	1.15
1029.5345460	0.92
1031.0936280	0.87
1033.8085940	0.50
1034.7904050	0.22
1035.7202150	0.38
1038.5373540	0.18
1039.5939940	0.24
1041.9996340	0.22
1044.3443600	0.67
1048.6939700	0.18
1049.9400630	0.44
1050.9852290	0.45
1052.4929200	0.12
1053.1824950	0.42
1054.8016360	0.23
1056.3323970	0.49
1057.6042480	0.39
1058.5703120	0.09
1062.2286380	0.25
1065.0946040	0.51
1067.0451660	0.34
1067.7299800	0.61
1068.5698240	1.67
1069.4648440	0.22
1070.2583010	0.50
1071.7562260	0.47
1072.6584470	1.19
1074.5258790	0.23
1076.4929200	0.15
1082.4127200	1.05
1083.4125980	1.35
1085.3854980	0.90
1092.1522220	1.29
1095.1478270	0.90
1098.2031250	0.40
1099.5825200	1.20
1100.9201660	3.82
1101.6672360	2.42
1102.5749510	0.49
1103.3947750	0.36
1107.1508790	1.34
1108.0610350	0.82
1111.6871340	0.40
1114.7854000	0.17
1117.2324220	6.41
1119.4158940	0.23
1120.0664060	0.09
1121.7487790	0.15
1122.6876220	0.21
1124.0133060	0.15
1125.8166500	0.88
1126.5014650	1.52
1133.2519530	1.50
1134.0900880	1.69
1138.7242430	0.33
1141.6276860	0.13
1143.2709960	0.46
1145.8217770	0.25
1147.0516360	0.75
1148.1127930	1.05
1149.7524410	0.29
1151.7974850	0.31
1153.2502440	0.40
1154.0629880	0.73
1155.7386470	0.25
1156.6298830	0.25
1159.9277340	0.65
1161.5554200	0.43
1163.1698000	0.73
1164.0560300	0.16
1164.6782230	0.16
1165.7580570	1.94
1166.8679200	0.44
1168.8403320	0.25
1169.8215330	0.28
1171.1973880	0.81
1176.1306150	0.27
1177.6185300	0.59
1179.0351560	1.58
1181.5383300	0.17
1184.0401610	0.81
1188.2398680	1.14
1189.4384770	0.39
1192.9874270	0.62
1193.8073730	0.78
1194.5960690	0.38
1196.7525630	0.32
1197.6086430	0.33
1198.3527830	0.57
1199.6647950	0.44
1200.8250730	0.18
1202.1275630	0.65
1204.9007570	0.59
1206.9611820	1.39
1208.5073240	0.12
1210.3494870	1.12
1211.3222660	0.43
1212.4520260	0.18
1213.5782470	0.16
1214.4971920	0.51
1216.6763920	0.88
1218.4810790	1.04
1220.2127690	0.32
1221.7932130	0.10
1228.3691410	0.90
1232.3056640	0.24
1234.6146240	1.21
1239.6479490	1.33
1240.8430180	0.59
1242.2463380	0.63
1243.0256350	0.19
1246.2613530	1.10
1247.4477540	2.12
1248.4201660	1.61
1251.9479980	0.67
1252.8028560	0.48
1253.7656250	0.21
1254.6892090	1.68
1255.5552980	0.27
1257.1210940	1.31
1259.0633540	1.49
1259.8095700	1.08
1262.8369140	0.32
1263.5472410	1.09
1265.7895510	1.38
1267.1096190	0.44
1268.6794430	1.91
1269.5451660	0.86
1270.2841800	1.99
1271.0517580	0.73
1271.9730220	2.17
1274.0415040	1.69
1274.7521970	4.42
1275.5515140	0.59
1277.1367190	3.04
1277.8576660	0.41
1278.7058110	2.04
1280.1103520	2.70
1280.7784420	2.14
1281.6376950	1.85
1283.2604980	0.27
1284.0200200	0.64
1285.3919680	1.58
1286.3198240	1.69
1287.2834470	0.74
1288.1628420	2.25
1288.8009030	0.88
1289.6816410	1.66
1290.6134030	2.03
1291.5585940	1.30
1292.2783200	4.83
1293.2431640	0.18
1294.5817870	1.54
1296.9478760	2.74
1298.0245360	1.31
1300.1842040	4.85
1301.0965580	0.24
1302.1848140	2.68
1302.9892580	1.62
1304.3964840	0.57
1305.6110840	3.45
1306.7095950	4.38
1307.8386230	1.32
1308.9973140	0.42
1310.3027340	1.89
1311.2462160	3.00
1312.4541020	2.64
1313.9886470	4.69
1315.3160400	0.67
1316.6154790	6.37
1317.5534670	9.27
1318.1838380	1.11
1319.0771480	0.35
1321.6627200	2.98
1322.5209960	0.32
1328.2056880	2.11
1330.6458740	0.26
1332.4918210	1.52
1333.7753910	2.01
1334.8157960	1.27
1337.0249020	2.89
1338.4565430	0.65
1339.5651860	2.59
1340.5223390	2.32
1341.1403810	1.02
1343.1230470	0.14
1343.7370610	2.41
1344.5328370	3.40
1345.4228520	3.77
1346.8184810	0.40
1348.2873540	0.66
1348.9509280	1.17
1349.6735840	1.10
1350.4016110	2.21
1351.6156010	1.11
1352.3704830	0.97
1353.0617680	0.43
1354.1591800	2.42
1355.1728520	4.28
1356.1096190	4.09
1357.2226560	2.48
1358.6564940	1.26
1359.6773680	3.53
1360.7330320	0.38
1361.7900390	1.19
1363.1145020	2.80
1363.9404300	4.74
1364.9227290	1.33
1366.1502690	10.73
1367.2050780	5.07
1368.3621830	1.70
1369.8138430	7.33
1370.5142820	4.15
1371.5688480	7.41
1373.0714110	1.80
1373.7119140	2.86
1374.3264160	1.84
1374.9870610	6.16
1376.2601320	7.61
1377.5793460	9.21
1378.3493650	1.14
1379.1774900	5.21
1380.0625000	7.81
1381.1363530	23.43
1382.0351560	15.50
1382.7629390	2.69
1384.1125490	8.49
1385.1124270	9.56
1386.0532230	15.42
1387.1398930	10.04
1387.9523930	8.11
1389.5804440	6.70
1390.7772220	22.93
1391.7829590	24.07
1392.6000980	14.05
1393.9726560	9.77
1395.2674560	33.35
1396.1049800	31.24
1397.0100100	24.00
1398.1555180	25.96
1399.3146970	20.39
1400.2946780	7.45
1401.4238280	21.35
1402.3565670	48.02
1403.4426270	18.18
1404.1474610	8.62
1405.4387210	42.86
1406.4216310	61.46
1407.2131350	52.42
1408.2771000	37.24
1409.1705320	15.06
1409.8597410	14.84
1411.1411130	15.06
1412.0643310	17.39
1412.8409420	37.58
1413.6287840	100.00
1414.7131350	0.97
1416.8957520	34.82
1418.0045170	11.73
1419.1268310	17.23
1419.8942870	9.77
1420.5123290	0.18
1422.0522460	0.25
1452.3079830	0.42
1453.0621340	0.17
1453.9671630	0.96
1454.7095950	1.10
1460.0871580	0.17
1462.9802250	0.43
1465.9344480	0.34
1470.6369630	0.17
1472.4105220	0.85
1474.4412840	1.42
1475.3734130	0.70
1476.4837650	0.12
1481.4967040	0.54
1482.2950440	1.66
1484.5296630	0.24
1486.9854740	0.21
1488.0831300	0.84
1489.4174800	0.84
1490.6766360	1.37
1494.8067630	1.17
1496.5429690	1.73
1497.4552000	3.36
1498.9809570	0.15
1500.4890140	1.06
1501.5574950	1.27
1504.0924070	0.86
1505.3221440	1.02
1507.3380130	0.40
1510.9858400	1.98
1512.8372800	0.15
1513.9150390	0.43
1515.0650630	1.17
1515.9262700	0.35
1516.7657470	0.37
1517.6774900	0.70
1518.8992920	1.07
1519.6982420	1.53
1520.6198730	0.75
1521.3015140	0.95
1522.0267330	0.57
1522.8038330	0.93
1523.4420170	0.22
1525.5084230	0.50
1526.8020020	0.73
1527.4205320	2.51
1528.4576420	0.42
1529.7915040	0.33
1533.9979250	0.39
1535.7094730	1.88
1537.0861820	2.57
1537.7436520	0.19
1539.1202390	2.18
1539.8806150	1.24
1542.5310060	1.68
1543.4824220	1.01
1544.2897950	1.27
1545.1522220	0.94
1550.5101320	1.08
1551.5333250	0.23
1552.5130620	1.58
1553.6041260	2.17
1554.5095210	0.63
1555.5186770	0.54
1558.9583740	5.31
1559.8596190	0.59
1561.2022710	0.48
1567.0140380	0.64
1568.6518550	0.18
1570.4217530	0.51
1571.1516110	0.12
1573.3665770	1.24
1574.7231450	3.10
1575.9156490	5.86
1576.6726070	1.80
1581.0324710	0.11
1583.5513920	0.62
1584.3420410	0.94
1585.2374270	0.74
1591.2703860	1.14
1592.1577150	1.15
1593.3914790	0.27
1597.8673100	0.56
1598.9112550	0.35
1600.9604490	0.33
1602.9415280	0.25
1613.7806400	1.64
1621.6539310	0.11
1623.0260010	0.29
1627.0120850	1.20
1630.1517330	0.25
1636.2683110	0.70
1637.2005620	0.11
1646.2672120	0.13
1650.7479250	0.30
1666.4826660	0.41
1669.5109860	0.39
1692.5189210	0.59
1710.3480220	0.59
1712.1817630	2.00
1717.7191160	0.20
1722.6541750	0.22
1724.6474610	0.14
1729.4865720	0.17
1732.5311280	0.26
1737.5518800	0.48
1741.1745610	0.13
1744.7584230	0.23
1746.9736330	0.43
1749.8187260	1.81
1750.5432130	0.37
1751.2803960	0.11
1754.9410400	0.73
1757.8602290	0.35
1759.7261960	0.26
1761.2723390	0.94
1762.6566160	0.43
1763.4626460	0.52
1764.5635990	2.30
1765.2894290	1.24
1765.9641110	2.52
1768.9881590	0.35
1769.6824950	1.34
1771.5343020	0.23
1772.8172610	0.16
1773.9796140	3.11
1774.5797120	0.20
1775.5993650	0.39
1777.9805910	0.38
1780.6822510	2.14
1781.7132570	1.26
1782.3372800	0.78
1785.3444820	0.61
1787.5535890	0.51
1788.2928470	0.14
1788.9483640	0.28
1789.5845950	0.19
1790.3250730	0.55
1791.0028080	0.23
1792.0319820	0.31
1794.9547120	0.46
1795.9176030	0.48
1796.5217290	0.43
1798.0462650	0.90
1799.0539550	1.08
1801.5023190	0.13
1803.4763180	1.08
1804.6212160	0.53
1806.1331790	1.23
1807.5124510	3.23
1812.3615720	2.81
1814.2790530	1.50
1819.0135500	0.27
1820.9743650	1.19
1822.7755130	0.22
1827.9791260	0.33
1828.5930180	0.31
1830.4725340	1.88
1831.2196040	0.60
1832.8498540	1.24
1838.2525630	0.66
1844.1960450	0.52
1844.8416750	0.41
1849.6922610	0.28
1850.7193600	0.25
1856.4426270	1.28
1863.6475830	0.07
1864.4825440	0.39
1866.0252690	1.03
1868.7008060	0.28
1871.4927980	0.44
1873.5715330	0.24
1874.8454590	0.25
1878.2628170	0.24
1880.3845210	0.68
1881.4874270	0.69
1883.8560790	0.30
1885.1322020	0.10
1886.9094240	0.15
1887.8635250	0.41
1890.2222900	0.38
1895.2828370	1.43
1896.6307370	1.11
1898.0578610	0.23
1898.9967040	0.74
1899.7667240	1.46
1900.9674070	0.30
1901.6741940	0.07
1909.9006350	0.95
1910.6159670	0.59
1911.3923340	0.13
1912.1383060	0.37
1914.5065920	0.47
1917.2950440	0.39
1918.6009520	0.69
1919.9447020	1.51
1920.5899660	0.92
1922.7774660	0.75
1923.5007320	0.93
1925.4820560	0.54
1926.3939210	1.12
1928.3723140	3.08
1930.0098880	0.27
1931.0445560	0.30
1932.5362550	0.13
1933.8133540	0.98
1934.5931400	0.12
1935.5753170	2.61
1936.4627690	0.28
1937.8555910	1.55
1938.8560790	1.10
1940.7327880	0.26
1941.5667720	2.30
1942.3951420	0.72
1943.7635500	0.92
1944.7722170	1.74
1945.5018310	0.24
1949.7316890	0.62
1950.6627200	1.75
1951.3531490	0.19
1953.4406740	1.72
1957.8806150	3.15
1958.6873780	0.63
1959.8807370	5.53
1960.7297360	0.96
1961.6705320	0.40
1962.3167720	0.16
1964.6979980	0.54
1966.3526610	1.46
1967.2230220	0.12
1967.8577880	0.74
1968.4989010	1.59
1969.4929200	0.45
1972.0402830	0.31
1972.8210450	0.18
1974.9090580	4.35
1976.1602780	1.54
1976.7873540	0.41
1978.4641110	0.36
1979.2258300	0.27
1980.2774660	0.13
1983.6663820	3.84
1984.9586180	0.95
1990.8386230	0.19
1991.5446780	0.42
1992.2434080	2.76
1993.0524900	1.75
1994.0811770	0.32
1999.2629390	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
108.0842896	0.60
123.0163727	1.72
151.990509	3.89
167.0395508	100.00
172.160614	0.12
209.2445984	0.07
214.758728	0.06
226.8869934	0.29
232.8824463	0.13
235.0370483	0.25
242.9606934	0.16
245.233429	0.04
251.3070679	0.05
257.2804565	0.04
272.5776978	0.10
283.1095581	0.50
284.2035217	0.17
285.0604248	0.41
286.0985413	0.06
291.4125366	0.17
293.2658081	3.83
300.2521973	0.13
309.2168579	0.26
310.9780273	0.52
311.6374512	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	439.0859
Annotation	9,10-dibromo-stearic acid
Peak:m/z	Relative Intensity
168.8147888	1.02
179.0804138	8.89
221.0693970	3.08
259.0796814	88.25
277.1434326	40.10
323.3874512	3.04
341.1510010	100.00
379.1726379	2.51
421.2552185	36.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	830.34
Annotation	Unknow
Peak:m/z	Relative Intensity
243.2429657	0.25
249.2798462	0.50
284.2362671	0.22
296.0006104	0.42
306.3295288	0.13
309.2485352	3.12
320.2285767	0.38
363.1289062	0.26
407.4450684	0.32
426.3344116	0.91
435.3795166	9.49
436.4371948	1.69
475.5455322	0.79
487.1011353	0.75
492.2702026	0.27
493.7022095	0.19
499.5631714	0.10
520.9288940	2.34
521.5593872	1.95
524.7305298	0.74
532.5162354	0.36
533.2661743	0.72
560.5811157	0.35
604.3045654	0.24
627.1967163	0.29
654.6795044	0.77
669.6454468	0.14
708.6387939	1.10
714.5754395	0.74
715.2092896	0.10
763.2628174	2.40
763.9581909	2.25
772.3806763	1.90
776.9382935	0.25
778.0252686	1.44
778.9151001	1.27
780.8994751	0.80
782.7304688	1.12
784.5410767	1.22
786.2369385	3.16
787.1508789	1.69
790.4310303	8.77
792.2412720	12.86
795.8135376	19.28
797.5023804	2.36
803.3248291	4.77
806.4033813	14.64
808.8087769	4.40
810.1561279	25.95
810.8165894	0.64
812.2462158	17.38
813.1744995	0.43
813.8076782	0.50
815.6286011	53.68
816.6491089	4.69
818.0060425	2.10
819.0266724	0.72
819.9899902	1.14
820.7059937	1.75
821.5294189	1.12
822.4121094	0.09
837.5543213	1.96
838.4346924	0.61
850.6785278	0.18
853.8844604	0.67
869.0473633	0.16
878.7849121	2.03
881.4664917	1.28
883.5335693	1.04
884.4006348	2.31
885.4478149	1.15
886.0578003	1.67
892.7202759	1.75
899.1945801	1.44
901.7921753	0.98
903.7039185	6.74
904.3530273	2.11
906.0957031	2.79
909.3963013	0.80
910.8410645	16.76
914.9003296	0.78
915.6036987	2.66
918.2656860	2.12
920.3972168	4.23
921.7769165	0.89
922.9089355	2.25
924.7288208	6.27
925.6045532	3.08
928.9719849	10.82
929.6691895	86.58
930.9202271	0.76
931.9143677	2.30
932.9692383	0.18
934.3584595	1.25
935.5024414	1.46
936.9494629	1.87
939.7191772	1.10
942.2720337	2.34
944.4895020	2.15
945.8957520	0.39
946.9128418	5.12
947.8880005	0.29
948.7202759	1.36
950.5160522	1.92
953.6098633	5.07
954.4860840	0.45
957.2282104	5.77
958.1538086	5.38
958.8461914	0.29
960.2807007	0.78
961.6386108	0.53
962.5425415	2.04
965.8428345	1.82
967.1860962	1.29
968.0786133	2.24
969.5215454	1.04
971.6480103	1.64
974.0110474	2.88
974.7629395	1.79
975.9658813	8.35
976.8955688	3.03
978.3484497	4.05
979.2186890	2.14
980.0322876	0.69
980.8880005	0.57
982.7480469	7.02
983.6645508	1.01
987.0765991	16.91
987.7428589	7.90
988.3890991	0.12
989.6785278	9.20
990.4772949	7.82
991.7476196	3.11
994.6379395	100.00
995.8969727	1.91
997.9297485	0.23
999.3501587	1.15
1001.2312620	6.92
1003.9745480	1.47
1005.7202150	2.27
1007.2633670	2.01
1008.0823360	2.80
1010.6629030	3.12
1012.2338870	12.53
1014.7476200	0.16
1019.3136600	29.24
1019.9292600	0.23
1020.6215820	0.23
1022.0044560	1.24
1022.9274290	0.12
1029.3396000	0.39
1030.3432620	2.25
1034.3571780	1.53
1037.1696780	0.26
1056.0839840	1.27
1061.2559810	1.84
1061.9467770	0.37
1065.3836670	1.13
1068.2536620	0.70
1069.3505860	0.74
1072.2297360	0.88
1075.5118410	0.87
1077.3369140	0.63
1087.5095210	3.10
1093.4407960	0.88
1094.1065670	1.12
1095.5681150	1.09
1096.5981450	0.92
1099.6125490	0.44
1101.0639650	0.77
1105.1796880	5.27
1110.3505860	3.11
1111.1472170	0.67
1115.8366700	0.94
1121.9520260	0.76
1123.1669920	0.80
1124.8129880	0.84
1126.7250980	0.75
1127.6379390	1.25
1130.9404300	0.93
1136.3229980	0.50
1137.9851070	1.17
1138.6733400	0.31
1140.0024410	0.96
1141.6439210	1.06
1143.3984380	9.27
1144.2451170	1.26
1145.5512700	2.35
1148.7811280	0.57
1151.6743160	1.03
1153.7233890	2.76
1156.4882810	0.89
1161.0310060	0.87
1162.9812010	2.74
1163.7307130	1.58
1164.8010250	0.53
1165.8635250	2.51
1167.5976560	0.77
1168.9338380	8.03
1169.5957030	0.60
1171.0092770	0.62
1174.7924800	3.02
1179.4304200	0.79
1180.7414550	11.33
1181.4284670	1.91
1182.4167480	0.73
1186.1643070	1.37
1187.1201170	0.19
1189.8593750	0.67
1191.6439210	0.71
1195.9433590	1.54
1197.6564940	0.13
1205.1391600	0.89
1207.4967040	3.11
1208.1181640	1.41
1210.7517090	1.02
1213.6190190	4.82
1214.5604250	1.16
1215.7771000	0.76
1219.3500980	3.91
1221.4954830	0.68
1231.7847900	1.05
1233.3427730	0.87
1237.2409670	2.92
1238.4132080	0.46
1242.9603270	2.27
1245.0308840	1.02
1252.2543950	1.87
1262.8305660	0.25
1263.8460690	2.05
1273.2081300	0.68
1278.7281490	2.20
1285.7377930	0.44
1291.3677980	0.71
1297.7753910	1.30
1310.2891850	0.68
1313.8841550	0.54
1321.9393310	1.02
1325.8371580	3.14
1329.3594970	0.52
1382.4921880	0.29
1397.3216550	1.07
1417.9399410	0.32
1418.7147220	1.78
1423.4910890	0.35
1437.3972170	0.40
1438.0947270	0.31
1522.9444580	1.02
1530.8988040	0.26
1546.7015380	0.18
1559.2720950	0.40
1560.3990480	0.72
1561.9229740	0.80
1570.5565190	0.86
1592.7318120	0.14
1593.8309330	0.35
1602.1302490	0.71
1616.9420170	0.35
1621.8117680	0.17
1646.3718260	0.13
1665.7921140	0.26
1691.9823000	0.37
1706.3687740	2.47
1723.6589360	0.74
1724.6691890	1.21
1740.2191160	1.00
1742.5623780	0.20
1749.2463380	0.13
1772.7219240	1.20
1780.4206540	0.70
1790.1900630	0.73
1790.8372800	0.97
1802.9456790	0.17
1804.3074950	0.32
1833.0555420	0.38
1835.4617920	0.24
1839.0245360	0.94
1852.7189940	0.13
1854.9298100	0.37
1856.6260990	0.97
1858.3460690	0.28
1860.5406490	0.30
1861.8123780	1.24
1863.3677980	0.92
1867.0812990	1.49
1867.7398680	0.54
1873.5617680	1.57
1877.6441650	1.12
1880.0139160	0.70
1880.6744380	0.71
1883.1636960	0.39
1884.9617920	1.10
1887.9898680	0.09
1888.9259030	0.14
1890.7761230	3.82
1893.9791260	2.77
1897.3643800	6.33
1900.5008540	0.13
1904.4792480	0.33
1905.4566650	4.25
1906.8201900	0.71
1907.9332280	7.71
1912.1798100	0.09
1912.9561770	0.14
1917.2111820	0.13
1918.8780520	0.17
1919.6602780	0.28
1920.5125730	0.12
1921.7606200	0.10
1924.4583740	0.52
1929.6340330	0.21
1930.3927000	0.35
1931.1190190	0.80
1935.2760010	0.43
1936.8654790	4.99
1939.4749760	0.18
1941.9361570	4.82
1942.9300540	0.40
1945.1258540	0.14
1946.2200930	2.67
1947.2288820	1.27
1948.8697510	1.09
1953.4976810	1.28
1954.7323000	8.46
1955.8800050	0.49
1957.7625730	1.50
1958.8087160	0.34
1961.1719970	1.61
1962.5145260	14.72
1963.2556150	4.30
1964.1138920	0.15
1965.9002690	1.82
1966.9849850	0.24
1970.2806400	0.45
1970.9388430	2.28
1971.6439210	2.18
1973.5496830	0.27
1975.3028560	3.65
1976.5606690	3.86
1977.5723880	1.09
1979.1730960	2.83
1980.0256350	5.89
1980.9312740	1.56
1981.8233640	0.10
1983.4071040	3.21
1984.4569090	0.20
1987.2994380	0.34
1988.3602290	0.20
1989.8205570	0.36
1991.4729000	0.10
1992.2752690	0.22
1993.4460450	1.84
1994.1541750	1.42
1994.9295650	0.10
1995.8924560	2.84
1996.7862550	0.45
1998.8067630	0.10
1999.6282960	16.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	745.349
Annotation	Unknow
Peak:m/z	Relative Intensity
221.2049561	0.07
305.2530212	0.13
307.3064270	0.68
343.2171021	0.24
359.4559326	0.12
361.2980347	10.66
362.2617798	1.46
382.0370483	0.18
391.3317871	0.05
425.3154907	0.14
466.9367676	0.15
487.3208008	0.20
505.3032837	2.34
506.3313599	0.29
521.4971313	0.14
522.1515503	0.14
523.3657227	30.10
524.4223022	5.79
525.3156738	0.25
547.4953613	1.01
548.2503052	0.37
554.2357178	0.06
565.4510498	6.05
566.4011841	1.39
583.4552612	11.41
584.3632812	1.61
589.3074341	0.06
590.6464233	0.11
608.6260376	0.10
631.4464722	0.16
656.0238037	0.05
667.5714111	1.28
668.2265015	0.14
668.8576050	0.06
685.4217529	11.27
686.4283447	2.68
709.4193726	2.47
710.6862183	0.58
727.4330444	100.00
728.4846802	31.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.21
Annotation	Lysergic acid diethylamide
Peak:m/z	Relative Intensity
104.9502640	0.09
120.8582916	0.39
133.1282196	0.33
153.9610138	0.11
165.1275635	0.32
212.1500549	1.89
224.1905823	0.35
240.4420471	0.31
259.2881470	0.27
266.2511902	0.35
268.2520752	100.00
269.3952026	0.29
278.7804871	0.40
281.1215820	0.25
283.0026550	1.08
284.1270752	0.18
292.0188293	0.20
296.2743530	0.09
297.1489868	0.26
303.2877808	0.36
306.0069580	0.97
306.9212341	0.48
309.5016479	0.08
312.3245850	0.11
314.3904724	0.15
321.4263306	0.13
323.9190979	0.33
328.1001282	0.13
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
210.9908752	0.07
212.9176636	2.02
296.8380127	27.46
308.9022522	0.16
329.1358643	0.06
378.1747742	0.24
380.6355286	100.00
381.3773499	0.32
394.0591431	0.05
419.1408081	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	503.92
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0050659	2.86
160.0465393	0.47
161.0659790	0.76
162.0787964	0.03
191.1338806	0.05
199.0972595	0.29
199.9900055	0.35
200.9994507	0.15
202.0932617	0.06
217.1793518	0.06
219.1009369	0.11
220.0133514	0.04
229.0416107	0.86
230.1273193	0.25
231.0498352	0.40
272.9985352	30.17
274.0307312	15.17
275.0286865	32.70
276.1282654	5.17
345.6243286	0.19
387.0249939	28.17
388.0119629	24.95
388.9553223	100.00
390.0043335	27.46
413.9405212	0.07
430.0617371	0.13
442.3220520	0.04
447.0708923	0.11
456.9944763	0.10
457.7937317	0.09
458.9959412	0.94
475.9985962	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.1441
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
175.1388855	0.16
177.1701050	0.15
179.1047974	3.00
185.1572876	0.19
191.9693298	0.64
196.9782257	0.58
203.2314758	0.11
207.0687408	0.35
210.1044922	3.62
213.4172668	0.08
226.2853851	0.07
229.3880005	0.20
236.1582794	0.55
242.2756348	0.14
252.2433014	0.06
254.1035767	14.35
260.1924438	0.10
263.1838989	0.22
272.1207275	35.27
286.1492920	0.99
288.1123657	6.22
304.1314087	15.43
306.1392212	100.00
320.1126099	0.21
338.1716919	42.01
360.2121582	0.07
362.2555542	0.11
373.3023071	0.07
421.2739868	0.15
464.1977539	0.42
471.9710083	0.20
482.3177490	32.14
499.2559204	0.05
513.1213989	0.24
559.6814575	0.18
575.2767334	0.87
593.3721313	20.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	898.53
Annotation	Unknow
Peak:m/z	Relative Intensity
270.4375610	0.83
341.2698364	1.78
354.3974609	0.61
525.5044556	0.19
537.0722656	0.41
587.5719604	0.92
701.1703491	0.55
702.2994995	0.49
799.5038452	1.47
931.3703613	14.12
950.4028931	7.33
982.0929565	4.20
985.3292847	1.93
986.4205933	0.27
987.0444336	0.49
988.0014648	5.20
1006.8732910	1.04
1008.9935910	9.10
1010.1143190	2.04
1012.0480960	5.95
1019.3891600	0.74
1030.0434570	6.64
1074.7937010	3.92
1114.6776120	4.38
1117.0874020	49.14
1118.0153810	9.03
1128.4470210	2.10
1140.1723630	13.59
1142.2452390	5.18
1162.9689940	4.50
1165.8798830	6.79
1181.2950440	2.38
1182.4145510	4.30
1264.1326900	2.63
1524.5081790	0.32
1529.8647460	0.34
1567.2794190	0.50
1591.1968990	0.57
1613.3391110	0.43
1645.5540770	0.49
1652.0968020	0.89
1668.5997310	0.95
1682.5949710	0.25
1698.6428220	0.52
1705.5710450	3.20
1737.5147710	0.30
1740.2703860	1.54
1742.2585450	0.25
1743.7889400	0.98
1751.4539790	0.32
1759.7370610	0.81
1771.9016110	0.97
1778.5275880	0.89
1782.5252690	0.25
1783.5338130	0.45
1785.2365720	0.56
1795.9436040	0.40
1798.7347410	0.73
1800.9694820	0.22
1801.6219480	0.63
1802.7257080	0.55
1806.4577640	2.59
1812.9080810	0.30
1818.4932860	1.18
1819.7716060	0.99
1823.8587650	3.28
1827.7296140	2.01
1831.2512210	1.22
1833.8201900	0.32
1838.2210690	2.05
1839.1754150	0.68
1841.8233640	0.91
1842.5699460	4.29
1843.7181400	0.70
1844.3602290	14.63
1845.6076660	0.35
1846.9959720	5.74
1850.2840580	10.98
1851.1585690	2.07
1853.9808350	22.12
1858.7969970	0.50
1861.9429930	0.43
1862.7805180	2.25
1864.3675540	0.45
1865.2413330	1.03
1869.4494630	7.91
1870.1994630	4.88
1871.9060060	0.64
1876.4852290	2.71
1880.0378420	1.17
1881.0271000	0.27
1881.6942140	0.41
1883.5627440	46.69
1884.6119380	0.22
1886.7010500	4.73
1890.8923340	21.56
1893.6881100	10.74
1894.3615720	0.27
1897.5030520	0.14
1898.4959720	2.09
1899.7814940	1.69
1901.9117430	1.70
1902.8903810	2.78
1903.6174320	1.32
1907.1673580	0.71
1907.8099370	8.68
1908.5296630	0.54
1910.5476070	5.37
1911.7432860	0.30
1913.9514160	1.24
1915.1209720	1.41
1916.3970950	3.32
1917.4455570	38.54
1918.9870610	46.29
1920.1695560	4.77
1921.1690670	0.40
1922.1145020	11.77
1923.5985110	23.53
1924.8580320	10.41
1925.8995360	100.00
1926.9577640	0.56
1928.1120610	3.17
1931.2443850	9.83
1932.6024170	0.83
1933.6408690	3.25
1934.4569090	3.44
1935.7419430	2.11
1936.6403810	4.52
1939.3138430	1.59
1940.0413820	2.97
1940.9743650	10.11
1943.1558840	5.33
1944.5386960	0.32
1946.2424320	0.73
1947.1804200	0.70
1949.3123780	2.00
1950.6574710	4.72
1952.3669430	0.54
1953.6392820	11.13
1955.0753170	0.87
1956.1065670	0.65
1957.2926030	1.66
1958.4831540	5.23
1961.0863040	4.25
1961.9372560	0.89
1962.5852050	34.63
1963.8830570	3.19
1964.7655030	0.32
1966.2510990	2.79
1967.2948000	1.10
1967.9075930	16.33
1969.2663570	3.26
1970.1649170	5.42
1971.6687010	9.76
1973.2557370	7.59
1973.8597410	1.21
1974.9354250	35.75
1976.6197510	4.26
1977.6075440	1.63
1979.0607910	0.74
1979.7370610	1.87
1981.1574710	11.23
1982.2170410	0.87
1982.8250730	2.00
1983.6540530	17.24
1984.7687990	4.33
1985.8441160	9.12
1987.4080810	5.37
1989.3487550	13.72
1990.2144780	0.45
1991.4473880	18.36
1992.5081790	3.48
1993.1082760	0.36
1993.9763180	0.32
1995.0352780	0.90
1995.8765870	31.10
1996.8734130	1.81
1997.8658450	1.27
1998.9602050	8.65
1999.7738040	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0670853	1.47
108.9529572	0.42
110.8645248	0.44
113.1014786	0.26
121.0177689	0.90
123.0363083	1.27
126.9030457	0.17
130.9770813	0.38
132.9259338	1.18
134.0382385	0.15
135.1923065	2.63
141.0736542	0.29
143.1622162	0.48
145.1101074	0.35
147.0003204	2.42
149.1048584	2.08
150.9599304	0.99
153.03125	0.19
154.9642029	0.18
157.2350769	0.30
159.1187439	0.77
161.0713196	2.05
162.9223938	1.27
164.9738159	1.10
167.1927338	0.42
169.1218414	2.12
169.901123	0.21
171.1272583	0.23
172.9472198	0.68
175.0615234	1.69
176.9152069	0.86
179.0727539	0.30
182.9316406	0.81
184.0572205	0.15
185.2374573	0.46
187.0697327	1.06
189.1092529	0.50
191.2319031	2.39
192.9125061	0.59
195.3378601	0.98
197.0279083	1.61
199.0785828	0.46
201.1137085	1.27
205.3301086	0.43
209.2143555	0.66
211.1209717	1.24
212.9328918	0.36
215.3097534	0.37
217.0879517	1.29
220.0438232	0.15
222.066864	0.19
223.3537903	0.29
225.0980835	0.88
227.1356506	0.59
228.8713989	0.71
230.9906006	1.58
234.9917297	0.55
239.129425	0.34
241.0493774	0.18
245.1827393	0.85
246.677002	1.94
247.3180237	3.84
249.8287048	0.30
253.1856079	0.19
255.1682434	0.82
256.9313354	0.50
259.2767029	1.27
261.221344	0.62
262.3234253	0.35
263.3122253	0.25
265.2137146	0.35
267.728363	0.19
270.704895	1.09
271.6263428	0.32
273.4373169	0.35
279.4540405	0.30
281.257019	0.91
283.0840149	3.47
287.4440918	0.27
293.3531494	0.14
295.0817261	1.14
297.1857605	1.19
298.2359009	0.27
299.2991333	1.41
299.9136658	0.71
304.5654602	0.51
305.1883545	2.23
306.6769409	1.81
309.6070251	0.30
312.6482239	0.39
313.3167114	0.81
323.2388306	100.00
324.121582	0.92
325.1723633	0.34
332.8692932	0.22
337.1343689	0.19
340.5236206	1.69
341.202301	0.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	648.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
280.2160950	0.07
298.1372681	0.09
323.0404053	0.06
353.1732178	0.10
358.6209106	0.24
386.6472778	0.14
400.4118652	0.12
401.5089111	0.07
403.7674561	0.17
413.5238647	0.27
424.9942627	0.27
443.2753906	0.16
451.0081177	0.19
466.4622192	0.05
472.3672485	0.46
478.2460327	0.32
484.0953979	0.19
491.0836792	0.91
496.9049683	100.00
497.6625977	8.81
498.6951294	0.80
499.5759277	0.15
510.4763794	0.13
517.4298706	0.07
520.5486450	0.06
531.0746460	0.07
543.4301758	0.08
564.8465576	0.45
573.9400024	0.32
585.6126099	0.17
629.0654907	0.06
630.7932739	0.84
656.6134644	0.16
669.5783081	0.13
699.6137695	0.36
707.7786255	0.37
733.3153076	0.44
734.8792114	0.10
736.4534302	0.57
738.8216553	0.30
743.5231323	0.42
753.7745361	0.60
756.7316895	0.19
757.8995361	0.44
759.5110474	0.15
763.0806274	0.21
781.7138062	0.14
782.6847534	0.45
793.7401123	0.07
797.2898560	0.94
809.3072510	0.48
811.1281738	0.13
812.1839600	0.26
820.2363892	0.52
821.7178955	0.27
853.5805664	0.24
854.5078735	0.33
857.5468750	0.09
858.3620605	0.20
859.3784180	0.07
863.6201782	0.23
867.6850586	1.44
868.3710327	0.15
876.8632812	41.96
877.7626343	12.16
878.6531372	0.30
879.6416626	0.28
892.9961548	0.06
894.3522339	0.35
896.6237793	0.23
904.3369751	0.21
971.8400269	0.55
995.7382202	0.12
1009.9960940	0.47
1041.9675290	0.13
1096.6779790	0.16
1136.1416020	0.13
1149.7148440	0.31
1167.9532470	0.31
1168.7861330	0.23
1169.6484380	0.44
1214.6837160	0.10
1252.1177980	0.14
1266.4705810	0.62
1269.6826170	0.08
1281.7584230	0.13
1283.7956540	0.57
1340.0135500	0.43
1394.7856450	0.21
1668.4100340	1.83
1681.1497800	0.06
1683.6628420	0.40
1691.9034420	0.10
1722.1820070	0.38
1724.5247800	0.06
1778.0632320	0.11
1781.6193850	0.16
1789.1090090	0.15
1792.9826660	3.76
1795.2186280	0.08
1820.3370360	6.10
1831.6634520	0.11
1836.9935300	0.17
1837.8790280	0.40
1850.2424320	0.95
1857.6778560	0.06
1858.3210450	0.10
1861.5894780	2.39
1866.8288570	0.13
1870.9835210	0.30
1878.6320800	0.07
1883.3542480	0.10
1886.6700440	0.33
1893.8236080	0.80
1895.2684330	0.18
1896.0980220	0.16
1898.4046630	0.14
1903.7067870	0.34
1904.4909670	0.14
1907.4525150	0.14
1910.0133060	1.98
1914.4656980	1.24
1916.4969480	0.06
1918.9289550	1.77
1919.5383300	3.31
1920.3801270	2.28
1923.4832760	8.08
1926.0466310	0.70
1926.8986820	0.26
1928.0313720	0.25
1931.5562740	2.35
1935.5225830	0.78
1937.0108640	1.67
1938.6248780	0.16
1939.4949950	0.63
1940.2359620	0.07
1941.2418210	0.31
1942.3553470	0.08
1943.7952880	1.03
1945.1895750	0.86
1948.4528810	0.13
1950.7264400	0.12
1954.8309330	0.83
1957.2486570	0.14
1958.6107180	0.19
1959.4786380	1.99
1960.8498540	0.98
1961.7833250	0.08
1962.9437260	0.54
1964.1442870	0.08
1965.2374270	0.12
1968.0480960	0.51
1969.0172120	0.10
1969.6395260	0.11
1971.1989750	0.25
1973.1995850	2.52
1974.0716550	1.04
1975.5275880	1.38
1977.3345950	0.14
1978.2203370	0.36
1979.7535400	1.31
1982.7521970	0.20
1983.4495850	0.61
1984.4337160	0.55
1986.1939700	3.10
1987.2087400	0.49
1988.3688960	0.06
1989.7305910	0.80
1990.3621830	0.45
1991.9383540	0.69
1995.0416260	2.04
1997.5272220	4.84
1998.6644290	10.94
1999.8288570	0.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.1765
Annotation	Phenethyl rutinoside
Peak:m/z	Relative Intensity
125.0061951	0.10
131.0061493	1.18
135.0786285	0.31
143.0967865	2.93
144.0560913	0.02
149.0869598	0.69
161.1372375	13.74
162.1356964	0.38
171.0973511	0.22
172.0960083	0.03
175.4295654	0.01
178.9799805	13.86
180.1139832	0.10
185.2882385	0.17
187.1954041	2.16
188.4348450	0.01
189.1206970	0.03
203.3225403	0.24
205.1603394	41.28
206.0998535	1.04
215.1396942	0.02
223.2436829	0.68
224.1524200	0.02
225.0505676	0.06
229.1516418	0.36
231.2272797	0.51
232.0425415	0.03
247.0558472	0.15
249.1128235	100.00
250.1543884	1.51
251.2891846	0.04
267.1408997	1.36
267.9627686	0.02
275.8016968	0.03
277.5190430	0.03
293.4119263	0.04
308.6348267	0.05
309.2978516	0.07
315.4588623	0.06
324.9617920	0.21
333.0177307	0.07
339.1430664	0.03
347.4253235	0.04
351.3250122	0.10
352.0206604	0.03
357.5006714	0.14
367.2893982	0.07
368.9566345	0.14
383.2808838	0.14
385.2834167	14.24
386.2847290	0.29
392.2278137	0.07
393.2773743	0.07
394.2291565	0.17
395.9392090	0.04
399.5704651	0.02
409.2721252	0.08
411.2454224	2.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.2286
Annotation	L-Linalool 3-[xylosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
191.2060699	0.11
216.0748596	0.03
233.1181183	0.05
275.3277588	0.07
293.3587646	0.03
313.3331299	0.07
318.0791931	0.08
321.2203979	0.03
325.4436646	0.13
331.6613770	0.05
337.5789490	0.08
347.3926392	0.08
351.2268066	0.26
363.3179932	0.05
391.6999817	0.09
398.3739014	0.06
405.3003235	0.16
411.4487305	0.11
421.9866028	0.12
434.5574951	0.10
435.2570496	0.04
447.2907104	100.00
448.3169861	47.84
448.9519348	0.45
450.2364197	0.13
456.3965149	0.04
458.0326843	0.31
460.4490051	0.02
473.6098938	0.06
475.9968872	0.28
477.3702087	0.11
481.3817444	0.22
495.9552307	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
81.09198761	0.38
82.97924805	2.51
84.92363739	1.57
87.06809235	0.76
88.85409546	2.02
90.71205139	0.34
92.89768982	3.88
94.99256897	12.08
96.9348526	4.33
98.9473877	1.27
100.9596405	6.08
106.8560562	2.88
108.987381	6.57
111.0226288	5.86
112.8946228	2.43
114.9848938	5.69
121.0440445	10.18
123.0059052	3.88
124.9859161	5.47
129.0288696	0.83
133.0005646	6.09
135.1599731	11.90
137.0299377	6.55
138.2251282	0.35
139.1621246	1.50
143.106308	3.01
145.0820007	0.66
149.08638	9.13
151.0257721	9.31
153.000061	3.36
154.9831696	2.18
156.9557037	1.23
158.9057007	0.35
160.977356	1.55
163.092926	3.83
165.0790405	2.52
166.6610107	1.56
169.0578613	7.09
170.9128571	5.32
173.0518951	1.80
177.0945435	11.01
181.1800995	1.35
183.2365112	0.74
185.2696533	2.58
187.167511	0.89
191.0665588	2.83
194.9298401	1.97
196.8818665	0.83
199.1521912	3.42
201.2774658	4.20
205.1338196	3.67
207.0506287	1.01
213.0950317	4.57
219.2144165	0.41
221.1349792	0.51
223.0580139	0.92
225.1257324	13.25
227.1806335	1.65
233.1343994	0.41
236.2617188	0.74
237.1941833	2.74
239.0580444	11.40
241.0860901	3.31
241.9783325	1.71
247.2477417	39.92
248.34021	1.90
252.1450195	0.78
255.1741638	1.36
265.2527466	100.00
268.1156311	1.71
283.2591248	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	209.09
Annotation	Kynurenine
Peak:m/z	Relative Intensity
85.59375763	0.13
93.93629456	0.37
136.1951904	0.37
148.812912	0.47
151.1245728	0.42
163.0868378	2.42
166.9466705	0.42
181.2352142	1.28
192.0649261	100.00
192.8142242	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0965
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
117.7455444	0.02
132.1318512	0.01
158.8867950	0.09
188.0459747	100.00
189.0672913	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.2917
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
134.8137817	0.03
143.1032867	0.04
149.0994110	0.05
179.7723083	0.08
187.1309204	0.06
190.3059845	0.04
197.1277924	0.05
198.0974731	0.28
216.0341644	0.11
255.4049988	0.06
256.2833862	0.03
306.3856201	0.24
325.1949463	0.02
337.2875671	100.00
337.9450378	0.31
343.4307251	0.07
347.5767212	0.05
380.4549255	0.14
385.5749207	0.06
404.3373718	0.03
414.9272461	0.07
417.3426208	0.23
422.5360413	0.03
435.3631287	0.06
460.2236023	5.31
460.8341370	0.02
468.7983704	0.10
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
74.84519958	0.21
80.6711731	0.13
84.93704987	0.11
90.8820343	0.05
95.03373718	0.07
98.13912964	0.30
104.0871735	0.05
105.9635468	0.15
107.1134949	0.26
120.7981262	0.05
122.7572174	0.09
126.109314	0.05
127.0230255	0.19
128.9137878	0.76
129.8169403	0.44
131.0959473	0.09
133.6862793	0.07
140.1153564	0.05
141.0536957	0.08
143.9335938	0.07
148.088974	0.48
148.8999023	0.09
150.973877	10.90
151.9565887	6.12
153.1847992	0.27
155.0805969	0.33
155.9147339	0.09
157.0460968	0.27
158.4763641	0.10
166.4064636	0.18
167.0630951	0.14
169.0167694	0.57
172.0239563	0.18
175.0959167	0.31
176.2802429	0.18
177.3048401	0.06
179.0469971	0.76
180.2238007	0.22
181.0625305	0.08
182.8778534	0.10
185.2218475	0.20
186.108963	0.55
194.8966217	0.21
197.0102692	0.63
198.0930023	0.57
200.2774353	0.24
208.0677032	1.76
209.2052765	0.18
210.074646	0.14
211.0506744	0.22
212.4283142	1.04
213.1434784	0.29
217.1744995	0.27
218.2754364	0.49
223.2365265	0.19
225.1768951	1.44
226.1670074	3.02
227.2422485	0.07
235.9815826	1.17
237.2970581	0.43
238.116272	1.86
239.116684	3.26
240.1122589	0.09
243.2786255	0.25
245.6712189	0.12
253.0837402	100.00
254.1891022	12.17
255.3306427	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1428.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
491.1457520	0.09
573.5548096	0.09
574.4537354	0.11
607.4075317	0.29
616.2575073	0.22
625.6224365	0.33
627.2957764	0.09
635.4379272	0.14
649.1101074	0.31
659.0948486	0.31
661.4986572	0.56
669.3948975	0.39
671.4154053	0.25
694.3808594	0.28
702.7022705	0.50
703.6275635	0.11
706.1200562	0.07
716.2940674	0.17
718.4313965	0.13
727.1465454	0.25
731.3691406	0.18
733.4963379	0.17
747.0576782	0.55
748.5655518	0.24
749.4500732	0.16
758.4179688	0.11
764.6075439	0.27
765.7636719	0.83
784.5548706	0.15
794.9204102	0.28
803.4924316	0.18
834.0955200	0.24
849.1758423	0.71
905.5913086	0.17
912.4875488	0.46
920.4042969	0.12
925.7368164	0.12
927.2395020	1.02
929.8562012	1.47
933.1533203	0.24
933.8702393	0.59
935.5410156	0.19
948.2293701	0.43
950.0831299	0.83
951.2834473	0.75
953.2720947	0.42
954.3671875	0.24
957.2845459	0.19
958.9428711	0.40
959.6936035	1.25
965.1739502	1.05
966.5175781	3.36
968.5996094	0.52
969.4715576	0.30
972.1721191	1.00
977.9621582	0.44
979.9082031	1.29
981.6788330	13.52
982.5941162	1.37
987.6020508	0.57
997.2221680	0.29
1004.2192380	0.55
1005.9613040	0.40
1010.4119870	0.17
1033.5024410	0.11
1037.4260250	0.20
1038.3736570	0.52
1043.1759030	0.19
1047.0938720	0.63
1050.8266600	0.56
1051.7478030	0.29
1052.3843990	0.19
1061.6840820	0.53
1068.7117920	0.11
1069.6560060	0.40
1071.6401370	0.09
1074.4558110	0.50
1075.2675780	0.27
1079.1206050	0.87
1081.1865230	0.88
1081.9318850	0.06
1083.4958500	0.25
1085.6429440	0.44
1091.6372070	0.65
1096.7570800	0.22
1098.0273440	0.20
1103.0694580	0.28
1104.0488280	1.11
1105.8253170	0.11
1107.9638670	0.46
1109.0808110	0.82
1111.8150630	1.50
1112.7196040	0.40
1113.7055660	1.63
1114.5937500	0.44
1115.9526370	0.18
1116.6245120	0.09
1117.9876710	0.22
1120.7401120	0.28
1124.5374760	0.39
1125.7033690	0.30
1127.8439940	1.22
1128.9868160	0.31
1129.8135990	0.80
1130.4321290	0.13
1131.2814940	1.93
1135.8118900	0.43
1136.8786620	0.81
1140.7250980	0.85
1142.0305180	1.44
1142.6741940	0.74
1144.6201170	0.48
1145.9389650	0.35
1147.1510010	1.42
1148.0950930	0.62
1149.4953610	0.07
1152.5523680	1.48
1155.6949460	0.25
1156.5152590	0.17
1157.4733890	3.48
1162.3698730	6.98
1166.2824710	0.97
1168.4245610	0.41
1173.8115230	0.59
1174.8276370	1.81
1177.7683110	0.57
1179.5582280	0.26
1180.1621090	0.37
1181.9841310	0.50
1183.5229490	0.80
1188.1982420	0.48
1189.5318600	0.36
1192.1679690	0.25
1193.7752690	0.11
1194.6181640	0.12
1196.5628660	0.37
1197.2271730	0.95
1198.5671390	1.35
1200.3991700	0.62
1208.4357910	0.65
1211.8537600	0.33
1212.4697270	0.45
1215.6452640	0.37
1217.7254640	0.48
1218.9278560	2.09
1220.5109860	0.46
1222.6315920	0.53
1223.8867190	1.80
1224.7700200	1.24
1228.5654300	1.47
1231.3227540	0.79
1232.1120610	0.53
1236.7653810	0.17
1238.7446290	3.68
1239.4597170	0.47
1241.0566410	1.82
1242.7902830	1.84
1244.7199710	0.68
1246.5905760	1.65
1247.8688960	1.01
1249.1256100	2.21
1250.4968260	2.91
1252.4021000	0.67
1253.1842040	0.40
1254.2065430	1.36
1255.6856690	3.17
1256.4678960	2.97
1257.5656740	0.28
1259.8044430	1.05
1261.0391850	0.86
1262.8854980	0.41
1264.7004390	1.30
1265.5576170	0.57
1266.5732420	2.12
1267.3503420	1.79
1268.2570800	0.53
1268.9882810	0.14
1269.7263180	1.42
1270.4823000	3.04
1271.5787350	1.15
1272.2210690	2.87
1273.8798830	0.57
1274.9206540	1.07
1275.9760740	1.95
1277.0958250	2.88
1277.9616700	0.83
1279.2465820	1.34
1280.6352540	0.77
1281.7121580	4.35
1282.6401370	3.87
1283.2645260	2.34
1287.0046390	4.10
1287.9095460	1.41
1288.5515140	1.26
1289.6733400	0.97
1291.7038570	1.67
1292.9921880	6.76
1293.9477540	1.06
1294.5993650	1.09
1296.9588620	0.63
1297.9982910	1.04
1298.6945800	1.06
1299.9823000	1.21
1300.6115720	1.81
1302.3051760	1.42
1303.7441410	2.37
1304.3872070	1.84
1305.6347660	3.04
1306.6572270	2.09
1307.8491210	1.74
1309.4195560	1.57
1310.6628420	1.26
1311.3227540	0.17
1312.2712400	2.58
1313.1798100	0.63
1313.9882810	0.13
1315.7204590	0.50
1317.1242680	9.76
1318.2518310	0.46
1319.4145510	2.71
1320.7980960	3.42
1321.6169430	2.28
1322.7778320	4.56
1323.4798580	1.02
1324.3892820	1.17
1325.5502930	1.43
1326.7291260	1.06
1327.4619140	5.87
1328.6953120	6.02
1330.1899410	4.91
1331.0600590	1.84
1332.4072270	3.21
1333.3675540	2.24
1334.0371090	1.03
1335.0732420	1.26
1336.5961910	4.21
1337.7150880	2.60
1338.5466310	5.26
1339.4179690	2.50
1340.5109860	1.40
1341.4919430	4.56
1342.1923830	8.03
1343.2207030	14.20
1344.2854000	3.05
1345.0135500	4.09
1346.0415040	1.23
1347.1821290	4.45
1348.7473140	12.92
1349.5281980	8.65
1350.2816160	0.38
1351.5767820	1.45
1352.9689940	16.15
1354.0533450	8.04
1354.9985350	4.19
1356.3061520	4.92
1357.1340330	2.27
1357.9514160	2.36
1359.0654300	10.80
1359.7189940	3.62
1360.7370610	9.81
1361.5911870	6.18
1362.5224610	3.43
1363.2978520	3.10
1364.3786620	14.60
1365.4246830	5.59
1366.2098390	4.69
1367.9627690	5.61
1369.0124510	5.15
1369.9234620	8.93
1370.8791500	12.13
1371.9362790	5.00
1372.7702640	5.13
1373.6091310	3.25
1374.6375730	7.66
1375.5057370	12.59
1376.2160640	10.79
1376.8941650	3.68
1378.1433110	3.89
1379.2485350	9.12
1380.1735840	10.78
1381.2409670	5.48
1382.1752930	9.09
1383.0993650	2.64
1384.9812010	10.36
1385.7792970	25.71
1386.9000240	25.68
1387.8704830	1.98
1389.1798100	7.34
1390.2172850	25.40
1391.2497560	27.87
1392.7481690	25.42
1393.6058350	8.76
1394.5596920	9.61
1395.6635740	10.85
1396.6993410	41.25
1397.3421630	16.22
1398.4744870	13.83
1399.7202150	33.89
1400.7827150	29.55
1401.7886960	64.43
1402.8437500	26.72
1403.8132320	17.99
1404.6813960	5.71
1405.7174070	21.59
1406.9595950	19.78
1408.0812990	100.00
1409.1114500	2.34
1410.3277590	0.70
1411.5391850	16.86
1412.6687010	21.21
1413.9216310	18.02
1414.7486570	1.18
1425.4447020	0.31
1436.8330080	0.50
1438.0310060	0.71
1439.3837890	0.35
1443.8963620	0.17
1446.0897220	1.13
1447.7564700	0.26
1453.0729980	0.32
1454.3061520	0.56
1456.5062260	1.58
1458.0489500	1.89
1459.7799070	0.26
1460.6549070	0.81
1463.5037840	0.28
1464.2402340	1.38
1465.5040280	0.19
1467.2089840	0.53
1469.1755370	0.77
1470.8417970	0.47
1472.4427490	0.45
1473.3000490	0.71
1474.5560300	1.74
1475.8426510	1.89
1477.6556400	2.14
1480.4713130	0.29
1481.8953860	0.59
1483.3059080	2.11
1484.8582760	2.18
1485.8096920	0.64
1489.2740480	2.32
1490.5413820	3.75
1491.6619870	3.06
1492.4024660	0.30
1500.0960690	2.38
1500.8800050	0.40
1506.0245360	4.52
1506.7564700	0.80
1508.4425050	2.01
1512.7802730	0.09
1513.9708250	0.38
1516.5540770	2.10
1517.1888430	0.62
1520.8735350	0.12
1522.1746830	5.60
1523.0546880	2.92
1524.0262450	0.67
1525.0983890	1.26
1531.2812500	2.58
1532.3398440	0.58
1533.7446290	0.71
1538.5710450	3.34
1539.5327150	4.57
1540.4893800	0.59
1541.1445310	0.26
1546.3325200	0.36
1553.8419190	0.51
1554.9561770	4.86
1555.7139890	0.93
1556.3472900	0.54
1571.5587160	1.23
1574.8397220	0.08
1576.9755860	0.31
1581.5948490	0.49
1585.0412600	0.95
1594.0124510	0.15
1612.5754390	0.30
1629.3168950	0.28
1630.6290280	0.58
1631.6614990	0.64
1633.6029050	0.83
1644.1152340	0.82
1653.1036380	0.46
1655.2733150	0.72
1665.8409420	0.33
1668.9737550	1.37
1671.4486080	1.94
1673.3507080	0.42
1674.3323970	0.51
1680.1151120	0.10
1684.5566410	0.42
1687.2192380	0.25
1703.9830320	1.25
1704.7011720	0.14
1705.5720210	0.34
1710.8719480	0.28
1713.6007080	0.32
1715.3741460	0.11
1727.7091060	0.65
1732.1385500	0.40
1739.9096680	0.53
1741.0743410	0.22
1745.5025630	0.80
1746.5826420	0.80
1749.1042480	1.05
1750.5529790	1.18
1752.0045170	2.34
1753.5042720	1.46
1754.5539550	0.47
1757.8668210	0.34
1758.6149900	0.93
1760.4195560	0.74
1761.7152100	0.38
1763.8410640	0.67
1764.7867430	1.99
1765.9802250	0.65
1768.2320560	0.30
1770.4415280	0.96
1771.0770260	0.36
1773.7149660	0.70
1776.2189940	1.36
1777.5528560	1.38
1778.7102050	0.88
1780.5809330	0.46
1783.2154540	1.57
1786.4859620	0.59
1790.8802490	0.67
1792.9263920	1.54
1793.8894040	1.16
1799.8937990	0.31
1802.8211670	0.09
1804.3536380	0.27
1806.1639400	1.23
1807.5555420	0.14
1808.4294430	0.17
1810.6632080	0.13
1812.0035400	0.25
1816.3269040	0.68
1817.9700930	0.66
1823.0935060	0.16
1826.0617680	0.57
1827.9088130	0.23
1834.8155520	0.46
1836.7370610	0.73
1838.0718990	0.12
1839.1971440	0.12
1840.1789550	0.36
1845.7862550	0.64
1847.2741700	0.14
1848.6145020	0.27
1851.0430910	0.53
1851.9791260	1.33
1853.5305180	0.53
1854.8658450	0.70
1857.9193120	0.22
1858.9016110	1.05
1860.0397950	0.97
1862.1998290	0.20
1865.2142330	0.39
1867.5393070	0.39
1868.1419680	0.15
1869.7911380	0.19
1873.3400880	1.23
1874.0579830	0.66
1875.0588380	0.76
1876.2341310	0.12
1877.6168210	0.96
1883.9210210	0.53
1885.1687010	0.11
1887.2056880	1.25
1888.1324460	0.25
1889.0510250	0.26
1892.4361570	0.10
1897.3345950	1.22
1898.8239750	1.07
1900.0289310	2.89
1901.0137940	1.27
1901.9069820	0.74
1904.2316890	1.28
1906.4415280	3.56
1907.2210690	0.29
1907.8409420	0.69
1909.7664790	0.12
1912.6788330	1.07
1914.3273930	1.22
1915.3020020	1.68
1916.0993650	2.45
1919.4987790	0.49
1920.7679440	0.94
1921.4157710	0.97
1922.3347170	1.19
1923.3004150	0.40
1924.6768800	0.82
1925.6789550	1.63
1928.0401610	0.49
1928.9381100	0.32
1930.7684330	3.56
1932.0002440	2.57
1933.0456540	1.38
1933.8220210	0.12
1934.9989010	0.28
1937.0397950	0.13
1937.7814940	1.63
1938.8372800	2.15
1939.8248290	4.25
1940.5064700	0.56
1942.6345210	0.43
1943.6248780	0.56
1946.6164550	1.68
1947.5422360	0.91
1948.4953610	0.76
1950.2414550	0.82
1951.0377200	0.34
1953.2166750	0.55
1954.5989990	0.36
1955.6605220	1.30
1956.8298340	1.27
1960.8361820	1.07
1963.0665280	2.93
1964.0808110	3.41
1965.0393070	0.67
1969.9271240	0.42
1971.6461180	0.76
1980.2186280	0.75
1982.4256590	0.56
1984.8552250	1.63
1991.6829830	0.69
1992.3889160	0.64
1993.3160400	0.50
1994.0675050	0.36
1995.0335690	0.36
1997.0124510	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
76.8241272	11.40
81.03507996	0.38
83.1855545	0.65
86.1244278	0.54
95.0241394	2.76
96.99607849	0.69
100.9211273	0.29
104.9936676	0.30
108.9581146	3.11
117.7728882	0.31
118.9166107	2.96
123.1938934	2.44
125.1567688	0.31
128.9740143	3.63
131.0562134	0.62
136.9049377	0.29
141.0119476	5.69
142.3361359	1.19
143.0185699	5.88
144.9526978	0.36
146.9761505	0.88
149.0111542	1.33
151.1814423	0.41
154.8178864	3.37
156.9278412	2.53
159.16008	0.36
160.9622192	5.27
165.1364746	0.71
169.2167816	1.50
174.9944305	1.61
179.1251678	7.87
183.0943298	1.23
185.6089935	1.01
187.0148926	0.23
188.8591919	0.15
194.9846497	0.35
196.9448395	1.18
199.1621552	0.39
201.2047577	0.29
208.1598053	0.80
211.0184021	1.72
213.1478271	0.63
213.9508972	0.37
215.2125854	0.25
221.0107269	4.09
229.1715546	1.58
239.1704712	100.00
240.2423096	0.42
243.6799927	1.56
257.192688	2.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
96.77806854	1.66
107.0832596	0.91
109.0615768	2.33
120.9218369	3.89
122.8857574	3.25
125.1810913	1.38
138.9569702	0.79
146.6711426	0.74
149.0035706	0.47
152.7379608	0.86
167.0418549	1.76
169.195282	3.81
175.2213135	3.02
179.1386719	2.91
183.2165375	5.05
195.474823	4.72
196.9734802	7.95
199.2816162	1.60
205.0551758	0.69
211.4736023	0.80
221.0899963	6.55
223.080658	1.59
237.2032776	7.46
239.2291565	11.40
243.3028259	1.46
253.1052551	3.42
255.0447388	1.47
261.1434021	0.90
267.2288513	2.71
279.2250366	100.00
288.3017273	2.05
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
114.9428635	5.91
116.0062637	1.57
116.9626465	2.99
131.0745544	0.11
131.9615784	0.21
132.9813690	0.20
158.9338379	100.00
159.9794312	45.54
161.0444336	61.87
199.1324463	0.53
200.0627747	0.43
201.0294189	2.57
202.0915527	0.04
216.9034729	0.04
218.1321716	0.95
219.0682678	2.01
229.2280884	3.07
229.9278564	16.45
230.9916382	37.92
232.2326355	0.03
246.0618896	0.41
246.9664307	0.79
248.1981201	0.04
257.1138916	0.22
275.1061401	0.13
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
112.7970963	0.06
160.9707642	0.02
178.9856110	0.72
197.0605927	0.20
197.9873962	0.20
198.9915771	0.46
215.1032104	2.36
216.0975800	0.86
217.0910645	9.23
250.7190247	0.06
281.3061218	0.08
310.7424316	0.02
322.1434326	0.08
341.2215881	100.00
342.1890259	30.38
343.2321167	9.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9199
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0258636	3.73
159.9680328	0.68
199.0758972	0.44
199.9125366	0.07
217.1155243	0.23
217.9977417	0.04
228.9788818	0.54
230.1221313	0.10
272.9840698	52.87
274.0846863	16.77
385.0408325	0.22
386.9686279	100.00
388.0593567	53.54
454.9230957	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	504.1379
Annotation	10-(Methylthio)decyl glucosinolate
Peak:m/z	Relative Intensity
192.0457764	0.08
195.1027832	0.08
196.9439392	0.20
226.2630310	0.11
228.3976440	0.17
231.1593170	0.11
237.0452576	0.10
253.2675171	0.24
266.9596558	0.07
272.6060181	0.08
290.4147339	0.10
298.4597473	0.13
299.4088135	0.36
323.2386169	0.30
324.3148193	0.06
341.0577087	0.16
343.4744568	0.06
351.3924561	0.20
353.3491821	0.05
367.8895874	0.10
370.0256348	0.18
380.3582764	0.23
383.3717041	0.43
385.2408752	1.41
389.1253967	0.37
391.2648621	0.08
392.2734680	1.14
394.3682251	7.28
401.2130737	0.20
402.1330261	0.23
403.5007019	0.11
408.4140930	0.08
412.3620911	0.09
421.1766052	0.07
426.3611450	5.40
432.3059387	0.15
438.2908630	3.71
439.5489197	0.20
443.1294861	1.29
444.2202759	0.79
452.3754578	0.12
458.4503479	0.66
460.3181458	100.00
461.2478943	0.34
469.1139221	0.16
470.3136292	1.96
485.2251892	0.23
486.9341736	0.27
505.3255920	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.09
Annotation	Scopolin
Peak:m/z	Relative Intensity
126.9057312	0.07
135.0302734	0.80
137.0233459	0.01
143.1497040	0.04
153.0686646	0.02
161.1354523	0.42
171.2107239	0.01
173.0596466	0.63
179.1014099	3.50
191.0615234	100.00
193.8874817	0.03
195.1871643	0.01
215.0915833	0.04
307.0747681	0.00
308.3533630	0.03
308.9940796	0.02
334.3214722	0.03
335.4268799	0.01
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
113.0489883	0.07
125.0259094	0.03
161.1310883	0.12
178.9700012	0.68
196.9808655	0.76
215.0974884	9.25
221.1162109	0.09
250.8746033	0.04
257.1176758	0.07
262.6503296	0.13
321.1008606	0.03
322.9571533	0.07
341.1818848	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
108.7346039	0.94
110.9297333	1.05
112.9397888	0.41
115.0404663	0.14
117.0582275	0.36
121.1828232	0.59
122.9608078	0.66
125.2228088	0.30
127.0625	1.31
133.0522614	0.25
134.4200745	0.21
135.0383301	2.13
136.0814209	0.34
136.9345093	1.06
139.0708771	0.62
141.0388184	0.81
141.867981	0.41
142.9833679	2.72
145.0778198	0.34
147.2464905	0.57
149.0416565	0.35
151.1403198	0.73
153.1971741	0.23
155.0806885	0.91
157.1192932	1.47
161.0110931	0.69
162.264328	0.64
163.4455261	0.32
164.2869873	0.49
165.0481873	0.60
166.8038483	1.57
169.1606445	0.99
170.9196167	1.79
173.1155396	1.52
177.2577667	1.09
179.138916	0.99
181.2051086	1.08
183.1012573	0.77
185.446579	0.21
187.1234436	0.60
189.1557922	1.37
191.147583	1.57
194.0995026	0.10
195.3036804	1.02
196.9938965	5.00
199.0636139	1.24
202.0857849	0.27
205.2607727	0.36
206.8798218	0.63
209.3111877	1.47
211.1877441	3.09
213.1632996	0.62
215.2889404	1.26
217.2729492	0.19
218.4801941	0.65
223.0994263	1.48
225.3586426	0.87
227.1865845	0.62
229.0413513	0.47
231.3944702	0.39
233.0591431	0.26
235.0032349	0.44
237.1682739	1.01
239.1135559	1.89
240.2841797	0.14
241.1392212	0.95
247.2619934	0.35
250.4125977	0.30
251.3677673	3.56
253.2572632	10.08
254.5578003	0.55
255.4174194	0.78
259.282135	0.51
261.2308044	0.63
264.3861084	0.17
265.348938	1.51
267.4985657	0.86
269.2395935	0.63
269.9855347	1.07
275.1819153	18.12
275.807373	0.30
277.6394653	0.90
278.3562317	0.52
280.7315063	2.02
283.3057251	6.57
287.0235901	0.83
291.06073	2.00
292.5563354	8.12
293.2157593	100.00
294.3742981	0.93
302.5488892	0.67
310.5310669	2.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.169
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
96.74476624	0.13
119.9438477	0.13
137.1408691	0.17
162.012207	0.29
168.8707581	0.12
170.0172424	3.74
171.048584	0.12
179.1184998	0.45
183.0059967	100.00
184.0827637	6.82
185.0128937	0.43
197.0419617	6.76
198.07547	2.92
199.0655212	0.47
211.4553833	2.85
212.2103271	0.18
213.1488953	0.13
217.2253723	0.30
223.1031799	0.64
225.0423584	2.76
225.9457397	2.09
227.0963745	0.99
233.1393738	0.22
239.190033	5.12
240.1316528	0.98
241.2626038	0.34
243.1759033	0.72
247.3138733	5.81
248.2696838	0.84
249.2676392	1.75
251.4174805	0.67
253.1015015	2.00
254.211731	0.83
255.3151245	1.44
256.9295044	0.16
265.1713867	0.89
267.1325378	3.17
268.0379639	0.21
269.1261292	0.16
271.0455017	0.45
275.204895	1.73
277.0765991	0.51
284.203186	0.24
290.8925781	0.51
293.2931519	4.99
311.1708984	11.02
312.2883606	2.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	757.2549
Annotation	Aurantoside I
Peak:m/z	Relative Intensity
212.5808105	0.41
216.1743774	0.45
217.1228638	0.85
221.0816650	0.61
234.1750793	0.46
234.8235931	0.17
250.3860779	0.47
251.0449829	0.34
252.1584167	2.72
253.1109924	5.36
256.5654297	0.46
258.8475037	0.23
270.9409485	1.26
276.3495789	4.41
277.1657410	7.51
279.0077515	0.58
280.0580139	0.78
288.2825012	1.23
289.1950684	1.76
291.0364380	0.48
295.1079102	0.32
296.2360840	0.77
301.1139221	0.90
305.1101074	0.54
307.1416016	5.36
311.9391174	1.56
313.0811768	7.67
315.1982727	1.56
318.0612183	0.46
319.0021973	0.50
321.4776001	0.45
325.0937500	0.27
329.0892639	1.49
330.2916260	0.75
331.2133484	0.17
332.1939087	1.11
333.1303101	0.84
336.2827759	0.56
337.0238037	2.60
337.7980957	1.05
339.4690552	0.16
342.2822266	1.02
343.1145020	6.83
344.0558472	0.48
344.9939575	1.35
347.7928467	0.53
349.0744019	4.12
352.9066772	0.51
354.1666870	0.87
355.2061157	3.61
359.9610596	3.50
361.0233765	9.08
361.9586182	0.36
363.0435181	0.58
366.7339478	0.16
367.3659058	0.83
368.4359131	0.39
369.0883789	0.17
372.2825928	0.92
372.9194946	0.25
378.2678833	5.15
379.1000366	10.90
388.1370239	1.55
389.1469727	2.19
389.7671509	0.34
391.0848389	0.74
395.4934692	0.44
397.1380615	3.93
400.2993164	0.59
401.0192261	0.31
406.2010498	0.19
408.1499634	6.31
409.0514526	16.99
413.2783813	0.46
414.3192749	2.27
415.3039551	6.75
420.8594971	2.20
432.3134155	5.58
433.2013550	3.67
437.2244873	1.05
437.8975220	0.45
438.8490601	0.63
439.5321045	0.50
450.4373779	0.16
451.2872314	1.16
463.1773071	0.53
468.0407715	3.61
469.0794678	3.01
477.0708008	1.07
480.1522827	0.34
481.0833740	0.59
493.2633057	1.01
494.1008301	0.99
498.1484985	9.64
499.1375122	29.37
514.0234985	0.97
522.0238037	0.35
523.2608032	2.21
531.9445190	0.84
533.2073364	0.89
534.3634033	0.60
535.2230225	2.03
538.2409058	0.35
540.1282349	1.52
541.2593384	7.04
558.2575073	2.72
559.1670532	6.39
562.9119263	0.52
567.2203979	1.83
576.3700562	11.90
577.3760376	38.92
578.2589722	0.14
586.2978516	0.33
594.2210083	28.19
595.3513184	100.00
597.1919556	0.27
637.5400391	1.01
656.4299316	0.49
675.0097046	1.00
675.8203125	1.79
676.9251709	0.33
691.4998169	1.38
703.3992920	0.58
721.8081665	2.98
738.7114258	12.89
739.3665771	21.40
741.4889526	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.1402
Annotation	t(6)a
Peak:m/z	Relative Intensity
131.0194092	0.18
133.3292999	0.16
136.0592957	0.51
145.9608765	0.27
153.5023193	0.09
157.1331329	0.11
162.0632629	0.84
163.3344727	0.35
165.0985718	0.18
175.1489258	0.48
185.0429382	0.13
187.8774414	0.49
201.2539368	0.15
203.7106323	0.21
205.0661163	0.69
207.3255463	0.07
209.186615	0.28
218.9737244	0.23
222.3435516	0.13
239.3256226	0.41
250.3041382	0.21
251.0810547	0.44
268.1138	3.18
272.2963257	0.10
281.0985718	100.00
294.1195679	1.45
297.0799255	0.34
301.4464111	0.37
303.2098389	0.31
323.3345032	0.25
325.2363892	0.29
338.7365112	0.24
351.2107239	0.61
366.9134827	0.27
367.5895386	0.92
369.2958069	0.14
377.5838013	0.29
385.7072754	0.57
391.3703613	0.73
394.8294983	0.56
395.597229	1.45
401.3207703	0.65
404.4168396	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.13
Annotation	Unknow
Peak:m/z	Relative Intensity
182.1748962	0.41
183.3370209	0.15
199.2210236	0.34
211.1068726	0.35
231.0675049	2.76
262.8364868	0.36
265.2722778	0.11
284.4387207	0.29
306.2242432	8.76
308.0315552	0.43
317.1231689	3.82
322.3890991	0.21
327.1011353	0.14
328.0148315	0.09
334.1323242	100.00
344.3657837	0.31
346.2523804	8.50
355.4542236	0.23
356.4040527	0.25
377.4026489	0.20
388.3057251	0.13
391.1166992	0.58
391.8577881	0.91
409.0850830	87.87
413.6623535	0.09
463.1685181	0.52
465.2459106	0.27
474.0527344	1.69
475.3188477	0.62
483.4295044	0.15
520.2977905	12.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
208.8681030	0.21
210.8291626	2.82
212.8337097	76.36
239.0326538	0.10
250.9863281	100.00
251.5874634	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1276.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
481.5482788	0.21
595.2570801	0.05
637.6746826	0.13
682.6983643	0.12
684.7778320	0.15
685.6595459	0.15
701.4948120	0.36
715.1873779	0.03
735.8864746	0.07
741.6833496	0.31
778.6796875	0.06
815.5302734	0.24
816.3696289	0.19
817.7098389	0.07
820.8171387	0.04
839.3197021	0.04
840.6179810	0.37
841.6030273	0.05
857.6489258	2.39
858.7731934	2.12
859.7724609	0.36
885.7490234	0.02
892.6663818	0.05
901.6756592	1.03
902.7282715	1.24
903.5770264	0.52
925.1546631	0.05
937.6156006	0.02
938.6973877	0.04
939.4930420	0.06
954.6478271	5.02
955.6442871	3.83
956.7259521	0.60
957.7806396	0.09
973.9174805	0.10
983.5334473	0.08
998.5860596	14.87
999.6459961	13.39
1000.6573490	3.10
1001.7901610	0.58
1016.4747310	0.72
1017.7199710	1.04
1028.7099610	0.08
1031.2099610	0.10
1036.7476810	0.19
1040.1429440	0.03
1052.5832520	0.13
1053.6748050	0.15
1069.6503910	0.52
1070.7100830	1.24
1071.9934080	0.49
1072.6311040	0.06
1079.7707520	1.25
1080.6962890	0.99
1081.6716310	0.12
1088.5020750	0.13
1092.6889650	0.18
1093.3212890	0.28
1095.6413570	1.42
1096.6744380	2.19
1097.7558590	0.71
1098.8430180	0.06
1103.1977540	0.13
1113.6359860	10.27
1114.6252440	9.30
1115.5917970	5.22
1116.8811040	0.31
1131.3544920	0.06
1133.7072750	0.31
1148.9916990	0.49
1159.3786620	0.22
1160.2910160	0.61
1161.4836430	0.24
1167.5708010	0.18
1168.9400630	0.15
1177.5754390	0.19
1178.7724610	0.50
1180.3184810	0.13
1185.9670410	0.16
1194.0834960	0.08
1195.0878910	0.18
1201.6437990	0.04
1212.6085210	0.10
1214.5037840	0.84
1223.6423340	1.47
1225.0717770	0.29
1227.8660890	0.51
1229.7958980	0.30
1230.6660160	0.11
1236.8771970	4.69
1237.7115480	0.37
1238.4102780	0.06
1240.4458010	0.04
1241.1597900	0.13
1242.1181640	0.12
1245.9404300	15.74
1247.1105960	0.75
1247.9836430	0.08
1249.9294430	8.46
1251.0203860	0.37
1255.0997310	6.23
1256.6147460	0.26
1258.9672850	100.00
1260.1040040	3.24
1261.2563480	0.44
1261.9323730	0.11
1262.8093260	0.29
1264.4782710	0.22
1296.8112790	0.14
1304.7518310	0.09
1305.7528080	0.46
1306.5310060	0.16
1312.8195800	0.20
1323.1284180	0.31
1323.9387210	0.62
1324.8411870	0.22
1338.3850100	0.06
1339.7780760	0.03
1340.9200440	0.08
1357.1042480	0.34
1357.9228520	0.08
1375.2803960	0.12
1376.0334470	0.14
1376.6469730	0.24
1384.6918950	3.86
1385.8060300	5.86
1386.8897710	2.22
1402.8132320	5.47
1403.7989500	9.29
1404.7387700	3.05
1410.5975340	0.03
1418.8917240	0.20
1419.9593510	1.31
1420.8330080	3.53
1421.8840330	3.22
1422.8145750	0.55
1430.2412110	0.13
1437.8707280	2.63
1438.8424070	3.89
1439.9630130	0.39
1444.7269290	0.14
1448.8487550	0.07
1454.6513670	0.27
1456.0504150	0.19
1456.8895260	0.10
1472.8847660	0.10
1473.6146240	0.25
1481.7031250	0.21
1482.7502440	0.87
1483.3957520	0.03
1499.7338870	3.68
1500.7572020	5.09
1501.6401370	1.74
1517.6995850	8.25
1518.7626950	13.26
1519.9570310	3.21
1534.9451900	2.67
1535.8582760	2.12
1536.8233640	1.86
1538.0080570	0.16
1552.8580320	0.92
1553.8837890	3.32
1554.7480470	0.78
1555.4438480	0.19
1559.2584230	0.07
1596.6954350	0.20
1597.7745360	0.26
1615.5299070	0.30
1617.1524660	0.23
1631.6077880	0.16
1650.7819820	0.16
1651.8103030	0.20
1668.7591550	0.03
1797.0389400	0.05
1816.7423100	0.08
1833.3638920	0.38
1834.1363530	0.17
1858.8591310	0.19
1865.8625490	0.03
1886.3005370	0.06
1941.2408450	0.04
1945.0067140	0.11
1963.3018800	0.05
1970.9061280	0.06
1977.3195800	0.03
1979.0938720	0.03
1984.8415530	0.02
1992.8433840	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1435.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
459.4974365	0.08
522.3921509	0.08
538.5521851	0.02
541.3702393	0.11
544.6665039	0.05
559.5195312	0.05
568.1644287	0.07
569.4859619	0.05
573.8487549	0.04
604.3027344	0.07
607.3682861	0.12
627.3515015	0.06
628.9010620	0.11
635.1140747	0.03
641.4871216	0.04
645.2597046	0.02
647.6010742	0.03
662.7889404	0.05
677.3946533	0.03
686.2177124	0.08
687.6531372	0.15
706.6574707	0.05
722.4360352	0.04
723.8564453	0.13
730.2946167	0.20
733.6900635	0.12
740.6126709	0.03
763.8760376	0.12
770.5067139	0.13
787.5999756	0.18
791.5700684	0.13
810.6331787	0.10
815.4088135	0.02
833.6627197	0.05
838.5802002	0.09
850.3419189	0.05
851.5812378	0.05
853.6595459	0.18
868.4631958	0.12
869.4771729	0.14
871.5980225	0.08
878.2597656	0.09
889.2775269	0.07
897.5052490	0.05
905.5440674	0.06
910.4649658	0.06
932.7608643	0.11
946.8240967	0.05
947.4517822	0.03
951.8786621	0.24
956.0487061	0.12
974.0134277	0.02
990.2808838	0.07
1004.6273190	0.04
1005.3985600	0.08
1006.6898190	0.15
1007.3619380	0.08
1011.1993410	0.09
1031.2175290	0.09
1039.2868650	0.08
1055.6551510	0.24
1057.7919920	0.25
1083.9584960	0.06
1084.5898440	0.08
1085.2836910	0.11
1091.8208010	0.05
1094.6000980	0.04
1109.7885740	0.16
1111.1555180	0.10
1118.6203610	0.15
1131.2476810	0.05
1136.1799320	0.19
1140.3391110	0.06
1141.0571290	0.13
1146.1760250	0.03
1150.2492680	0.04
1154.4707030	0.38
1166.7924800	0.05
1184.5191650	0.12
1185.8862300	0.23
1188.7492680	0.11
1189.9769290	0.34
1191.8654790	0.10
1195.4803470	0.38
1197.2961430	0.09
1206.0664060	0.39
1211.4986570	0.02
1212.1221920	0.20
1215.8040770	0.13
1218.3203120	0.06
1220.6044920	0.54
1221.5571290	0.25
1223.0399170	0.14
1224.0468750	0.18
1228.7597660	0.31
1229.9825440	0.18
1231.2735600	0.03
1232.2463380	0.33
1235.1650390	0.74
1235.8037110	0.21
1236.8491210	0.26
1237.6640620	0.25
1239.5802000	0.24
1241.5006100	0.09
1242.6894530	0.42
1243.7270510	0.40
1244.5211180	0.10
1246.1718750	0.41
1248.5441890	0.69
1249.3105470	0.26
1250.2916260	0.32
1251.9171140	0.24
1252.9163820	0.69
1254.0197750	0.28
1254.7551270	0.31
1255.7822270	0.20
1258.0367430	1.22
1259.0129390	0.50
1260.4526370	0.13
1261.2725830	0.49
1262.5788570	0.20
1264.2238770	0.64
1264.8459470	0.02
1266.3922120	0.06
1267.9405520	0.97
1268.8344730	0.27
1270.8247070	0.18
1271.8950200	0.39
1273.4541020	0.34
1274.8626710	0.32
1275.7331540	0.17
1276.8247070	1.24
1278.2606200	0.40
1279.0660400	0.20
1282.8803710	0.40
1284.2634280	0.36
1285.3919680	0.53
1287.3203120	0.33
1288.2750240	0.30
1288.9642330	0.39
1290.2807620	0.15
1291.7996830	0.36
1292.7163090	0.36
1293.9517820	0.26
1295.3635250	0.68
1296.2374270	0.37
1297.2841800	0.11
1298.0605470	0.36
1299.0480960	0.59
1299.9633790	0.57
1300.9436040	0.05
1301.9971920	0.73
1303.2436520	1.88
1304.8791500	0.13
1306.4675290	0.07
1307.9145510	0.94
1308.9388430	1.56
1309.6895750	1.25
1310.6064450	1.16
1311.4263920	0.35
1312.1733400	0.26
1313.6998290	0.85
1315.1232910	4.38
1316.2175290	1.30
1317.0899660	0.88
1318.8181150	0.98
1319.9750980	0.71
1320.6386720	0.07
1321.9836430	0.71
1323.0347900	0.04
1324.0473630	0.31
1324.8334960	1.00
1325.8724370	0.49
1326.6018070	0.67
1328.1618650	0.18
1329.7475590	0.28
1330.9378660	0.42
1332.1337890	0.27
1333.3542480	0.13
1334.0230710	0.16
1335.4057620	1.60
1336.5096440	1.27
1337.1782230	0.68
1338.6035160	1.13
1339.8356930	0.89
1340.7648930	1.07
1341.6353760	1.29
1342.7561040	1.61
1343.5718990	0.85
1345.3109130	1.67
1346.0718990	0.25
1347.1407470	1.65
1348.1232910	2.42
1349.1166990	1.49
1350.6116940	2.17
1351.3585210	0.40
1352.5146480	0.46
1353.7227780	4.12
1354.4722900	3.88
1355.3100590	0.63
1356.0527340	0.16
1358.2501220	1.40
1359.8435060	9.15
1360.5095210	4.22
1362.9232180	0.12
1364.3261720	1.09
1365.2523190	0.72
1366.1447750	0.08
1368.5473630	0.59
1371.0668950	2.17
1373.2910160	0.51
1374.3425290	0.74
1375.3073730	0.42
1376.4077150	1.87
1377.4340820	1.71
1379.3220210	3.15
1380.1672360	4.17
1381.0363770	0.21
1382.6447750	7.38
1383.5386960	0.76
1384.2573240	0.23
1385.4677730	5.08
1386.1910400	9.72
1387.2214360	1.70
1388.2609860	6.03
1388.9321290	4.25
1389.7777100	0.22
1391.3261720	12.59
1392.0174560	31.72
1393.0156250	0.75
1393.8468020	0.66
1395.1359860	0.70
1397.0003660	6.29
1397.7749020	100.00
1399.0368650	0.72
1400.2177730	0.63
1401.6759030	0.87
1402.7196040	0.33
1403.5065920	0.40
1404.9035640	0.17
1405.7966310	0.58
1406.8591310	1.08
1407.7071530	0.18
1408.9630130	0.32
1410.1667480	0.21
1410.7742920	0.07
1412.4049070	0.60
1414.2792970	0.22
1415.4229740	1.07
1418.1225590	1.41
1419.1774900	0.84
1420.5396730	0.69
1421.2178960	2.83
1421.8226320	1.29
1423.4730220	0.43
1424.3643800	0.77
1429.9776610	0.04
1437.8447270	0.35
1455.8327640	0.04
1457.6982420	0.04
1463.3114010	0.19
1471.4901120	0.09
1473.8769530	0.15
1474.5865480	0.10
1485.8035890	0.25
1488.8211670	0.30
1492.5037840	0.12
1496.2928470	0.03
1504.1711430	0.04
1505.5585940	0.11
1511.1989750	0.14
1513.2785640	0.24
1514.8227540	0.23
1515.9196780	0.07
1519.8059080	0.10
1520.7824710	0.13
1522.9699710	0.27
1526.4879150	0.28
1529.2537840	0.24
1535.5858150	0.36
1537.1437990	0.31
1540.7192380	0.03
1545.3458250	0.16
1549.1351320	0.31
1550.9808350	0.05
1558.5548100	0.13
1559.7136230	0.26
1560.4306640	0.03
1562.4398190	0.21
1570.9410400	0.35
1574.3917240	0.11
1576.0109860	0.05
1577.9271240	0.33
1582.3238530	0.27
1585.8194580	0.20
1587.2043460	0.11
1591.4538570	0.23
1593.5305180	0.11
1601.6557620	0.08
1609.6212160	0.15
1610.2357180	0.09
1612.8675540	0.16
1613.9337160	0.22
1614.6517330	0.07
1623.6514890	0.73
1629.4183350	0.26
1636.2342530	0.25
1639.0699460	0.10
1643.0361330	0.19
1647.1202390	0.42
1652.5478520	0.21
1656.1854250	0.05
1658.1397710	0.17
1661.6328120	0.07
1662.8548580	0.40
1669.0007320	0.23
1670.5900880	0.16
1672.7117920	0.32
1673.9146730	0.25
1674.6186520	0.14
1681.7410890	0.22
1682.8533940	0.04
1685.0372310	0.20
1686.7174070	0.22
1692.0729980	0.10
1694.7808840	0.09
1697.2916260	0.13
1699.0649410	0.11
1699.7626950	0.13
1701.4042970	0.09
1702.9896240	0.10
1704.1534420	0.10
1706.0264890	0.09
1707.1613770	0.16
1707.7998050	0.11
1714.1446530	0.06
1715.9949950	0.16
1719.4429930	0.10
1722.0495610	0.03
1723.2249760	0.09
1725.4730220	0.11
1726.9420170	0.52
1728.2669680	0.09
1731.9332280	0.16
1735.2032470	0.09
1737.0560300	0.11
1737.9017330	0.09
1739.7435300	0.23
1741.4735110	0.19
1744.4542240	0.09
1746.8179930	0.08
1748.3309330	0.08
1749.6645510	0.03
1751.6949460	0.27
1753.1096190	0.06
1755.3605960	0.10
1757.3713380	0.27
1758.7889400	0.03
1759.8109130	0.03
1760.9261470	0.15
1761.8084720	0.40
1762.5100100	0.23
1763.7507320	0.13
1765.8020020	0.60
1768.0148930	0.18
1769.3063960	0.55
1770.0841060	0.66
1771.2208250	0.41
1772.0181880	0.10
1775.8693850	0.06
1776.9920650	0.37
1778.2199710	0.08
1779.6198730	0.06
1780.4200440	0.12
1781.7742920	0.38
1784.6750490	0.16
1785.7692870	0.09
1789.5098880	0.21
1790.3282470	0.03
1792.2559810	0.16
1793.5377200	0.27
1794.4212650	0.11
1796.6773680	0.28
1798.7967530	0.40
1799.4860840	0.22
1800.1677250	0.09
1801.7901610	0.02
1803.0588380	0.03
1804.6676030	0.07
1805.5692140	0.15
1806.9696040	0.09
1808.3470460	0.50
1809.2365720	0.05
1809.9327390	0.10
1811.4876710	0.19
1813.6160890	0.20
1815.6120610	0.24
1820.5545650	0.06
1821.3601070	0.06
1822.3485110	0.53
1823.9615480	0.13
1825.9305420	0.05
1829.1164550	0.17
1829.7517090	2.35
1830.5822750	0.19
1831.1970210	0.37
1832.5020750	0.21
1833.7149660	0.21
1834.8122560	0.06
1835.6599120	0.28
1836.6090090	0.53
1839.4368900	0.28
1840.3272710	0.09
1841.5042720	0.19
1842.7556150	0.12
1844.7257080	0.30
1845.7214360	0.06
1848.3453370	0.56
1849.3211670	0.10
1850.2769780	0.18
1851.5358890	0.26
1852.3728030	0.03
1853.4870610	0.23
1854.1101070	0.10
1855.1082760	0.25
1856.4017330	0.03
1857.9318850	0.33
1858.6175540	0.13
1862.8620610	0.02
1864.1652830	0.28
1865.4989010	0.15
1868.3436280	0.44
1873.1214600	0.43
1874.7854000	0.08
1876.0554200	2.19
1877.9888920	0.25
1879.5793460	0.03
1881.3275150	0.34
1883.9476320	0.17
1884.9371340	0.17
1886.6160890	0.56
1887.4144290	0.75
1890.0987550	0.08
1891.2015380	0.08
1891.9991460	0.06
1893.8389890	0.30
1895.1911620	0.12
1896.2540280	0.20
1897.7391360	0.09
1898.5028080	0.02
1899.2349850	0.08
1900.2033690	0.16
1901.3900150	0.04
1902.0953370	0.18
1903.5485840	0.23
1904.9611820	0.02
1906.5179440	0.49
1907.1823730	0.85
1909.1195070	0.35
1912.2673340	0.13
1912.9567870	0.44
1915.3874510	0.88
1916.1184080	0.51
1919.3084720	0.07
1920.6661380	0.08
1921.3140870	0.05
1922.5230710	0.49
1925.0323490	0.13
1927.1553960	0.19
1928.0593260	0.22
1929.0076900	0.03
1930.1358640	0.30
1930.8636470	0.41
1931.9835210	0.30
1934.1365970	0.30
1936.4351810	0.61
1937.2111820	0.14
1938.4904790	0.52
1939.8615720	0.47
1942.0565190	0.14
1943.3747560	0.54
1944.6663820	1.39
1945.7637940	0.35
1946.5906980	0.09
1947.7281490	0.40
1948.5666500	0.53
1949.5100100	0.08
1950.5305180	0.02
1951.4732670	0.40
1952.1394040	0.05
1953.1986080	0.25
1954.0501710	0.65
1954.7755130	0.07
1957.3541260	0.24
1958.2072750	0.45
1959.6755370	0.64
1960.4406740	0.16
1961.0936280	0.09
1963.1051030	0.09
1964.4118650	0.43
1966.0388180	1.98
1967.0203860	0.77
1968.5408940	0.06
1969.2010500	0.03
1969.8963620	0.38
1970.5228270	0.08
1971.7874760	1.07
1972.6346440	0.20
1973.5948490	0.29
1974.5352780	0.44
1975.5177000	0.07
1976.3073730	0.11
1977.7298580	0.39
1978.4068600	0.12
1979.6262210	0.84
1980.8262940	0.25
1981.5003660	0.14
1983.6156010	0.39
1985.3050540	0.43
1986.1453860	0.12
1987.6097410	0.22
1988.3610840	0.20
1989.4288330	0.34
1991.0866700	0.26
1992.0187990	0.25
1993.9055180	0.18
1995.9206540	5.63
1996.8883060	0.12
1999.1705320	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
83.11769104	1.72
84.38456726	0.99
85.21791077	0.44
91.09386444	0.87
92.92866516	0.50
94.87939453	6.42
97.06246948	2.73
101.133667	4.54
106.9728928	2.47
108.9936676	8.74
111.0005646	4.28
114.9026337	4.99
121.0244904	4.04
122.996994	2.19
124.9564667	0.77
128.0921631	1.86
133.3671417	1.69
135.0287476	14.46
137.1178589	4.80
139.2241211	1.68
140.9867554	2.78
142.9494781	0.82
149.0637817	6.73
151.0278625	2.37
155.100708	1.59
163.1472168	4.72
165.015976	1.20
167.1690369	1.86
170.0045166	0.82
170.9616547	1.68
171.6357117	1.09
176.9750824	4.66
183.1637573	1.30
185.1549072	1.65
191.312851	3.49
195.3098755	2.01
204.0683289	1.26
212.8347168	1.43
220.492157	1.10
221.3059082	0.82
222.8224487	1.17
225.0335388	13.20
227.1545105	2.51
237.4009399	0.66
238.0130615	4.11
240.0168762	2.42
241.2993774	1.04
241.9969482	2.56
247.3623047	31.68
248.0572815	2.95
255.2238464	1.05
265.2574463	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1410.58
Annotation	Unknow
Peak:m/z	Relative Intensity
480.2290039	0.16
482.5678711	0.24
548.4466553	0.20
560.3016968	0.39
578.4434204	1.53
579.0961914	0.09
601.6582031	0.31
602.3358154	0.33
610.2995605	0.74
612.6433716	0.70
618.1512451	0.25
625.1773682	0.14
627.7791138	0.19
629.2001953	0.41
642.2752075	0.19
658.2518311	0.34
659.5311279	0.14
660.1394043	0.10
664.3440552	0.56
666.4603271	0.26
672.3464966	0.39
688.0386963	0.24
690.1639404	0.23
693.2857666	0.35
704.5890503	0.17
705.6684570	0.20
706.4528809	0.79
715.0472412	0.32
742.5728760	0.10
746.1915283	0.34
749.1129761	0.53
750.1292725	0.13
765.1999512	0.19
768.1196289	0.16
821.9802246	0.24
835.7765503	0.98
846.5890503	0.41
847.7410278	1.37
853.0721436	0.42
857.0070190	0.21
861.8228760	0.97
862.5378418	0.54
864.4669189	0.16
895.9461670	0.53
906.6538086	1.26
915.2082520	0.16
915.9650879	0.18
917.4276123	0.16
918.9291992	0.15
920.2414551	0.59
925.7071533	0.43
927.0219727	0.16
929.7381592	0.53
935.1546631	0.30
944.3367920	1.08
945.7106934	0.23
951.2614746	1.16
951.9306641	0.19
953.6190186	0.40
956.7702637	0.76
959.4555664	5.29
960.2435303	2.72
961.6436768	0.48
962.7922363	0.12
964.4101562	2.76
966.2413330	1.26
967.1109619	1.71
968.0175781	0.49
969.4063721	0.62
972.4212646	2.47
973.0988770	0.07
975.6376953	0.15
981.3703613	12.88
982.2949219	1.40
990.5142822	0.09
995.9549561	0.11
997.3475342	1.75
998.2714844	0.10
1002.2678220	0.34
1004.5804440	0.52
1006.6026610	0.98
1007.4310300	0.15
1016.6187740	0.42
1022.2943120	0.10
1023.6481930	0.17
1025.1339110	0.36
1027.4974370	0.72
1034.9921880	0.32
1047.3236080	0.15
1048.7247310	1.00
1050.5526120	0.24
1052.4626460	0.13
1057.4372560	0.52
1063.4830320	0.32
1068.5782470	0.48
1069.5267330	0.43
1074.4887700	0.51
1082.6873780	0.72
1083.7617190	0.63
1084.5991210	2.15
1088.0383300	0.18
1092.1055910	2.25
1097.4747310	0.28
1098.5711670	0.29
1100.4781490	7.16
1101.2829590	1.44
1102.0727540	0.73
1103.6614990	0.64
1105.3885500	0.67
1107.1265870	0.97
1108.0667720	0.13
1110.3748780	0.72
1111.2000730	2.35
1115.3415530	1.94
1116.2474370	1.19
1116.9401860	0.36
1118.3530270	0.41
1120.6015620	0.72
1121.2363280	0.57
1122.4182130	0.42
1123.3071290	0.24
1125.3653560	0.15
1132.4160160	2.15
1133.7292480	3.03
1134.5756840	1.02
1139.1699220	0.73
1139.9909670	0.20
1141.1872560	0.63
1147.3378910	0.39
1149.0703120	0.39
1150.1661380	0.13
1151.4902340	0.53
1155.0927730	0.26
1156.3861080	0.24
1157.1472170	1.85
1157.7839360	1.20
1163.8275150	3.94
1165.6586910	0.78
1166.4440920	0.17
1167.4504390	0.36
1168.5844730	0.23
1173.4084470	0.28
1174.6210940	1.56
1177.6213380	0.47
1178.6558840	0.31
1179.3541260	0.42
1180.4091800	0.69
1181.1750490	0.28
1181.8710940	0.15
1182.7674560	0.22
1184.2575680	1.95
1188.8272710	1.42
1197.6340330	0.20
1198.7142330	0.33
1200.4191890	0.32
1208.9437260	0.18
1209.7519530	0.22
1212.6958010	1.03
1213.9628910	0.83
1215.6771240	1.56
1217.5429690	0.47
1219.3347170	0.84
1220.5415040	1.78
1224.6433110	0.62
1227.6835940	1.59
1229.0607910	1.10
1230.1569820	0.84
1232.8591310	1.36
1234.3681640	0.91
1235.7059330	0.73
1237.3262940	1.38
1239.1823730	0.42
1240.3417970	0.85
1241.8488770	2.83
1242.7905270	0.98
1244.5122070	1.29
1245.6428220	1.89
1246.3370360	1.69
1247.1544190	2.11
1248.1240230	0.62
1249.4260250	0.46
1250.4038090	0.82
1251.5648190	0.78
1252.7226560	2.13
1255.1402590	1.47
1256.3554690	3.85
1257.4094240	0.98
1260.8074950	0.99
1261.6579590	1.78
1262.4580080	0.82
1263.1584470	0.78
1264.1931150	1.05
1265.0491940	3.39
1265.7910160	4.09
1267.4531250	0.42
1268.3729250	4.65
1269.7454830	0.94
1270.7224120	3.90
1271.4570310	1.10
1272.3206790	3.93
1273.2618410	2.02
1275.8398440	8.18
1276.9903560	5.33
1278.0150150	2.91
1278.6350100	0.52
1280.3144530	4.25
1281.7082520	5.68
1282.4326170	0.17
1283.3353270	3.46
1284.1049800	1.89
1286.8581540	6.26
1288.0836180	2.09
1288.8717040	1.80
1289.6706540	1.09
1290.3325200	1.20
1292.5462650	8.02
1293.1904300	8.78
1294.1999510	1.68
1296.4904790	0.32
1298.0032960	3.57
1298.6723630	1.84
1299.9901120	0.34
1303.2918700	0.98
1303.8957520	1.14
1305.4001460	1.25
1307.7149660	3.39
1309.1209720	2.69
1310.6647950	0.69
1313.6297610	1.12
1314.6246340	1.11
1315.5195310	4.32
1316.6424560	1.62
1317.9727780	0.61
1319.5531010	1.59
1321.3834230	3.99
1322.8095700	2.00
1324.4321290	3.13
1325.0983890	1.48
1325.8061520	2.29
1327.0153810	2.59
1330.7420650	3.63
1331.3436280	0.46
1332.8969730	0.39
1333.7075200	1.32
1334.9440920	0.77
1335.6037600	3.92
1337.0496830	0.92
1337.8459470	0.24
1339.1867680	3.78
1339.9073490	1.80
1341.1065670	3.33
1342.2274170	7.61
1343.4462890	5.01
1344.8172610	8.02
1346.2498780	2.59
1347.0303960	0.73
1347.8218990	0.58
1348.6625980	2.68
1350.0236820	5.03
1350.9337160	6.24
1351.7783200	5.36
1352.9075930	5.15
1353.9738770	4.52
1354.7233890	0.50
1355.6557620	6.74
1356.6300050	22.00
1357.7788090	2.03
1358.7265620	2.57
1359.7043460	8.13
1360.5637210	6.51
1361.6607670	12.03
1363.0441890	7.27
1363.8186040	1.78
1364.5769040	10.12
1366.2612300	20.12
1367.4506840	21.96
1368.1286620	14.35
1368.9586180	3.40
1369.9691160	17.75
1370.9835210	20.10
1371.6606450	30.05
1372.5212400	8.51
1373.5401610	12.12
1374.2995610	23.19
1375.3654790	16.88
1376.1339110	9.60
1377.0402830	16.59
1377.8668210	21.50
1378.7552490	15.77
1379.6191410	8.42
1380.8319090	34.28
1381.5756840	34.03
1382.4301760	71.71
1383.3706050	35.23
1384.2316890	18.56
1385.0854490	13.10
1386.1955570	15.53
1387.2141110	17.21
1388.7197270	100.00
1389.6165770	21.69
1390.3631590	0.81
1392.4481200	58.25
1393.1679690	13.77
1393.8540040	18.92
1395.0906980	27.76
1395.8621830	1.58
1397.8295900	0.45
1400.8514400	0.27
1413.2257080	0.35
1430.5028080	0.45
1431.3377690	0.38
1435.5483400	1.18
1436.7053220	4.25
1438.3243410	1.03
1444.3328860	0.18
1447.1942140	0.21
1449.1715090	0.46
1451.4295650	1.49
1452.6744380	0.10
1454.5932620	0.11
1455.4748540	0.53
1457.9969480	2.43
1460.1990970	1.03
1462.6951900	0.20
1464.6121830	0.70
1466.9437260	0.53
1468.8673100	1.05
1469.6806640	0.56
1471.2464600	0.21
1473.4732670	0.72
1474.2597660	2.92
1475.2374270	0.87
1475.8392330	0.40
1477.1110840	1.55
1478.3189700	1.18
1478.9356690	0.15
1482.0708010	0.55
1483.7728270	1.55
1484.4129640	0.91
1485.1630860	0.12
1485.9838870	0.33
1488.2579350	0.55
1488.9936520	1.05
1490.1658940	2.55
1491.0540770	1.47
1491.7683110	0.44
1494.0745850	0.17
1497.1459960	0.53
1498.1695560	0.14
1500.1635740	1.40
1500.9331050	0.34
1502.8452150	0.22
1503.5083010	0.40
1506.1372070	0.77
1507.1031490	1.67
1507.8604740	2.48
1508.6052250	0.12
1509.4967040	0.54
1510.9163820	0.76
1513.0200200	0.41
1514.4149170	2.34
1515.2586670	1.62
1516.7913820	3.75
1517.4586180	0.11
1518.1724850	0.47
1519.0205080	0.40
1519.8146970	0.45
1521.9068600	2.81
1522.8527830	5.93
1523.8690190	3.29
1524.9179690	0.60
1525.5594480	0.16
1530.8031010	0.42
1533.4803470	2.33
1537.5535890	1.44
1538.5723880	8.36
1539.2762450	1.20
1539.8923340	2.39
1541.4229740	1.50
1542.1986080	0.26
1546.5650630	1.98
1549.2579350	0.49
1554.1700440	0.47
1555.2725830	5.56
1556.4443360	1.48
1557.2700200	1.38
1559.6378170	0.53
1564.0267330	1.84
1565.1519780	1.17
1566.1422120	0.16
1571.5395510	0.32
1578.6060790	0.42
1582.1239010	0.35
1585.1867680	0.45
1598.5981450	0.16
1603.0987550	0.72
1631.1518550	0.28
1633.6323240	0.70
1656.9289550	0.91
1657.9002690	0.47
1666.2690430	0.54
1667.6000980	0.20
1672.8408200	0.09
1679.8071290	2.05
1680.7824710	0.60
1682.8802490	0.68
1685.8165280	1.02
1688.6412350	0.53
1692.8455810	0.26
1699.3103030	0.21
1709.4291990	0.19
1712.6002200	0.36
1713.3757320	0.87
1714.6707760	0.71
1718.8359380	0.15
1719.5161130	0.68
1721.1036380	0.19
1722.6246340	1.25
1723.8294680	0.62
1725.9849850	1.14
1726.9951170	0.12
1730.3873290	0.69
1732.7396240	1.14
1734.4567870	0.58
1735.1219480	0.17
1736.5262450	0.33
1737.3511960	1.18
1738.4479980	1.89
1740.5607910	0.21
1742.7274170	0.68
1743.6905520	0.79
1746.1232910	0.16
1748.5377200	1.97
1749.3370360	0.68
1750.3731690	0.52
1751.8267820	0.16
1754.1379390	1.23
1754.8195800	0.09
1756.4479980	0.10
1757.3288570	0.24
1759.9582520	1.61
1760.9246830	2.10
1762.4627690	0.93
1765.4549560	0.32
1766.4012450	0.35
1767.3668210	1.27
1768.0402830	1.79
1769.3846440	1.30
1772.9051510	0.50
1774.2888180	1.93
1776.5140380	3.59
1777.5812990	0.38
1778.5391850	0.26
1781.4836430	0.67
1782.6008300	0.96
1783.7950440	1.20
1787.0645750	1.39
1788.3621830	0.83
1790.6485600	0.19
1792.1829830	2.69
1792.9305420	0.96
1794.1311040	1.01
1799.6563720	0.99
1802.7469480	0.57
1805.9505620	0.51
1808.8249510	0.54
1809.6915280	1.18
1810.7937010	0.71
1812.6588130	0.63
1821.1926270	0.51
1822.8387450	0.45
1825.7946780	0.51
1832.6927490	0.75
1835.4256590	0.25
1839.8631590	0.22
1841.9793700	0.55
1849.4949950	0.32
1850.2974850	1.39
1851.7247310	0.68
1854.2908940	0.09
1857.4222410	0.58
1858.5689700	2.00
1860.2971190	0.18
1861.3302000	1.32
1863.8791500	0.78
1865.9060060	0.11
1866.9846190	0.19
1868.0524900	0.76
1869.9163820	0.56
1873.6014400	0.61
1876.5046390	0.46
1880.1610110	0.29
1881.7323000	0.85
1882.7940670	0.65
1884.7515870	0.83
1887.2917480	0.89
1888.9730220	0.42
1890.5090330	2.04
1891.8822020	2.57
1892.9543460	0.64
1893.9078370	0.50
1894.7166750	0.12
1895.9312740	2.48
1896.9344480	2.00
1897.7111820	0.89
1899.1529540	2.93
1900.2838130	0.74
1901.3372800	1.30
1901.9641110	0.45
1905.3957520	0.32
1906.5355220	2.31
1907.1799320	0.12
1907.9107670	1.11
1908.5974120	2.35
1910.0054930	0.27
1911.3265380	0.27
1912.3741460	1.32
1913.3375240	4.31
1914.9241940	0.50
1915.9118650	1.88
1917.2940670	1.66
1918.4173580	0.15
1921.0836180	0.52
1922.0467530	3.18
1923.6575930	5.01
1925.5300290	1.19
1929.3508300	1.33
1930.2868650	4.98
1931.2540280	1.10
1932.6068120	1.66
1933.3377690	1.11
1934.3231200	0.88
1935.0904540	0.16
1937.1485600	4.74
1938.3581540	4.75
1939.4656980	4.60
1940.4798580	0.64
1942.3765870	0.13
1946.3894040	1.77
1947.1685790	1.49
1949.1336670	0.52
1949.8631590	0.29
1955.6717530	0.38
1960.7297360	0.84
1961.8345950	1.91
1962.7292480	2.88
1963.7761230	2.47
1964.5334470	0.57
1965.4328610	0.45
1966.3063960	0.25
1967.1351320	0.91
1969.8253170	0.52
1974.6910400	0.59
1979.7830810	0.72
1986.9246830	0.21
1992.9265140	0.33
1995.9603270	0.15
1997.8563230	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	406.0993
Annotation	Tintamine
Peak:m/z	Relative Intensity
213.0684204	0.28
232.0075989	8.17
243.4010010	0.09
251.1257629	100.00
319.7614441	0.27
322.0009155	0.75
338.1080017	0.60
346.1397095	0.18
360.2850037	0.13
387.3957825	1.66
388.3288269	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	281.1393
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
83.0166626	0.08
95.0526886	0.04
105.0337601	0.11
112.7769089	0.09
119.0625153	0.31
121.174202	0.11
123.0112762	4.21
123.9866409	0.13
133.0384064	0.17
135.3529663	0.05
138.0212402	0.10
139.2203064	0.23
141.3284149	0.05
143.1967163	0.18
145.0461731	0.98
151.0139008	0.03
152.0983887	0.07
153.0597687	1.06
159.0797119	0.14
161.3557129	0.18
167.7888031	0.10
169.2176514	0.21
171.1603699	8.46
175.0872803	0.17
177.1485901	0.38
189.1142578	3.42
193.0671844	0.30
201.1681824	5.33
203.1808472	0.05
204.1638489	0.06
205.3484192	0.06
207.1772461	3.78
219.0166321	11.32
219.6550293	0.13
223.183197	0.29
235.0826721	0.76
237.1540833	100.00
241.0267944	0.03
244.9816284	0.14
246.1967163	0.10
251.2939453	0.03
253.0262146	0.04
263.0097046	1.72
264.0722656	0.33
265.3174438	0.04
281.0839539	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	586.91
Annotation	Unknow
Peak:m/z	Relative Intensity
228.9618835	0.12
273.0709534	0.33
274.1692505	0.12
275.3266907	0.13
345.1865845	0.04
357.4731445	0.05
359.0902710	0.30
387.0772095	0.20
387.9593506	0.04
403.9650879	0.04
405.1723633	0.08
427.0412598	4.28
428.1301270	0.33
444.2080688	0.04
455.2016602	0.13
470.1162109	0.04
471.1629028	0.20
472.7844849	3.27
473.4403076	0.12
485.1450806	0.19
488.8222656	0.05
497.0981445	0.11
498.7906494	0.13
501.1446533	0.32
512.9196167	0.13
517.8261108	0.09
528.2178955	0.23
540.9213867	100.00
541.9570312	0.34
542.9411011	0.84
545.1543579	0.11
554.9888306	0.04
555.9628296	0.08
557.6642456	0.06
558.3513794	0.09
568.4158325	0.30
569.2104492	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1079.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
314.2712097	0.09
356.4368591	0.06
361.3760986	0.07
366.7102356	0.07
373.4506226	0.15
416.4193726	0.15
456.2993774	0.04
468.3770447	0.09
498.5129395	0.16
524.0283203	0.26
538.3571777	0.06
555.7604980	0.33
561.0847778	0.30
586.4648438	0.19
602.3502197	0.07
616.2976074	0.35
620.0894775	0.17
635.4827271	0.06
650.4758301	0.05
653.4554443	0.13
665.5579834	0.20
683.6027832	0.05
688.1055908	0.06
759.6716919	0.07
795.6617432	0.11
796.4311523	0.12
800.2307129	0.24
802.5308838	0.29
817.9997559	0.10
844.1967773	0.31
856.3854980	0.22
857.3712158	0.43
889.7568359	0.26
908.6711426	0.16
909.9758301	0.15
913.1959229	0.07
916.6390381	0.45
918.4462891	0.30
923.8256836	1.42
925.0897217	0.08
935.4765625	0.54
936.2788086	0.46
936.9440918	0.89
945.7021484	0.63
947.2149658	0.56
948.0682373	0.27
951.7979736	0.66
953.4635010	1.16
962.7612305	0.10
965.3460693	0.12
968.1459961	0.30
969.3015137	0.97
969.9375000	0.49
970.6787109	0.17
972.6767578	0.42
976.8383789	1.11
978.9887695	0.69
979.7386475	0.82
981.3574219	1.06
982.8337402	0.05
986.6820068	1.01
988.8355713	0.15
989.9462891	1.19
990.5761719	0.54
993.7189941	1.98
994.5732422	2.05
996.1818848	1.68
997.7316895	3.38
998.6586914	0.96
999.7618408	1.21
1000.6629640	0.61
1001.7330320	1.33
1002.5566410	1.20
1004.0260010	1.40
1005.3298340	3.59
1005.9299320	0.05
1007.1586910	1.13
1008.5371090	3.55
1009.4934080	0.83
1010.3979490	2.85
1011.2093510	1.01
1012.1589360	2.07
1013.3637700	1.16
1014.3204350	4.77
1015.6582030	0.96
1016.6141360	1.08
1018.0043950	2.47
1018.6464840	4.17
1019.3974610	0.87
1020.1737060	0.13
1022.3254390	3.42
1023.0328370	4.56
1023.7932130	2.84
1024.7543950	0.11
1025.6489260	0.64
1026.2668460	3.03
1027.0491940	3.19
1028.2127690	0.51
1029.0285640	3.80
1029.9012450	0.86
1031.1087650	2.07
1031.9379880	2.13
1033.3176270	2.19
1034.0906980	0.48
1035.7020260	9.49
1036.5140380	0.18
1037.3864750	4.60
1038.2043460	5.15
1039.3446040	3.93
1040.2449950	13.75
1040.9829100	2.90
1041.9179690	8.36
1042.5688480	15.05
1043.4207760	4.78
1044.2921140	17.95
1045.0527340	2.60
1046.6859130	36.10
1047.5087890	16.51
1048.2735600	0.15
1049.3894040	1.15
1050.9346920	38.03
1051.6080320	63.21
1052.8363040	1.13
1053.6196290	0.43
1055.0974120	3.09
1056.1876220	7.92
1057.5823970	2.24
1058.6622310	1.87
1059.9442140	3.26
1060.7703860	2.93
1061.8702390	3.41
1062.7409670	1.78
1064.2319340	7.51
1065.0000000	3.96
1066.5012210	17.78
1067.2182620	4.38
1068.6802980	9.20
1069.3747560	2.42
1070.7114260	2.57
1071.7038570	0.21
1072.5599370	0.59
1078.5770260	0.15
1085.1252440	0.24
1102.3753660	0.47
1104.1054690	0.72
1105.5493160	0.28
1107.8819580	0.13
1109.0914310	0.10
1119.0134280	0.28
1122.7908940	0.09
1123.7697750	0.18
1125.0820310	0.76
1131.5163570	0.07
1133.7932130	0.40
1137.6915280	0.08
1139.3815920	0.99
1140.4985350	0.92
1143.6140140	0.23
1147.8515620	0.44
1153.9388430	0.18
1161.6203610	1.25
1169.6865230	0.19
1174.1252440	0.75
1175.1083980	0.58
1177.0067140	0.13
1178.7609860	0.10
1180.2460940	0.82
1181.8380130	0.24
1184.8642580	0.58
1187.5600590	0.06
1189.0384520	0.37
1189.8360600	0.71
1194.9624020	0.51
1196.2878420	0.91
1198.6066890	0.33
1204.1901860	0.86
1212.9864500	0.66
1213.8588870	0.88
1217.4855960	0.75
1218.7775880	0.91
1221.8303220	0.23
1223.2288820	1.24
1224.4741210	0.37
1225.1494140	0.73
1227.1491700	1.86
1229.3344730	1.13
1230.8405760	0.88
1232.0321040	0.21
1232.8771970	0.24
1236.8088380	0.31
1238.1154790	1.31
1238.8586430	0.40
1242.5083010	0.66
1243.6076660	0.63
1244.3287350	1.31
1245.4770510	0.37
1246.9882810	0.23
1248.1040040	1.13
1249.0520020	0.63
1254.2595210	1.01
1256.3609620	0.46
1257.3221440	0.35
1258.1453860	0.52
1260.1856690	0.15
1262.5593260	1.73
1266.3696290	0.61
1267.9677730	1.22
1268.7485350	1.27
1270.5395510	1.09
1271.7131350	0.94
1272.4813230	0.26
1273.6538090	0.29
1276.0505370	2.37
1276.9246830	0.58
1277.8897710	1.18
1278.6395260	0.25
1279.3240970	0.52
1280.5872800	1.58
1281.8173830	2.24
1282.7377930	0.74
1284.1239010	1.36
1285.1578370	1.51
1285.8055420	0.46
1286.4455570	0.84
1287.4268800	1.70
1288.7011720	2.75
1289.3425290	0.08
1290.5764160	4.82
1291.1915280	0.74
1292.2524410	0.96
1293.3641360	1.57
1294.1678470	0.75
1295.4499510	2.16
1296.2187500	1.53
1297.4028320	2.22
1298.2430420	0.91
1299.8100590	3.83
1301.1027830	1.13
1301.9603270	2.79
1302.6000980	1.39
1303.2790530	0.28
1304.6877440	1.02
1305.7198490	1.44
1306.7634280	2.18
1308.0927730	7.96
1309.1656490	0.46
1310.4631350	0.61
1311.5375980	6.18
1312.3986820	1.08
1313.2758790	1.91
1314.0305180	5.23
1314.8332520	3.25
1315.7611080	0.52
1318.3397220	0.78
1319.0489500	4.66
1320.1508790	11.19
1320.9530030	2.98
1322.4095460	0.43
1323.7265620	3.74
1324.8864750	4.01
1326.0823970	2.38
1326.9506840	0.97
1328.5358890	1.46
1329.4953610	6.39
1330.2845460	8.15
1331.1317140	3.20
1332.0682370	0.73
1333.8573000	2.06
1334.8350830	1.52
1335.4854740	1.17
1336.6470950	1.51
1337.3695070	0.49
1339.0572510	3.03
1340.0030520	1.60
1340.6812740	0.99
1342.2855220	1.54
1342.9945070	0.95
1344.5867920	2.93
1345.5852050	4.93
1346.3621830	2.63
1347.0845950	1.60
1348.2508540	2.81
1348.9921880	4.51
1349.7418210	0.67
1351.4479980	3.48
1352.1707760	4.16
1353.1014400	2.24
1353.9726560	2.89
1355.0947270	2.69
1356.3099370	5.44
1357.6145020	8.35
1358.5412600	3.31
1359.4084470	1.63
1360.8614500	0.54
1361.6962890	3.54
1362.6975100	7.79
1363.9052730	7.07
1364.6317140	0.33
1366.2442630	0.36
1367.7344970	8.30
1368.4151610	13.90
1369.1983640	6.29
1370.9559330	1.27
1371.7930910	1.23
1372.8753660	3.69
1373.7324220	1.13
1374.8956300	1.23
1376.1328120	1.57
1376.9500730	2.49
1378.5706790	1.82
1380.1215820	2.49
1381.0198970	2.72
1381.6826170	0.83
1383.1313480	5.07
1383.8601070	2.20
1384.5098880	1.71
1385.8527830	6.28
1387.0905760	10.23
1388.2713620	0.89
1388.8735350	5.94
1389.8215330	17.14
1391.3802490	8.22
1392.4437260	2.73
1393.3345950	0.43
1394.9615480	27.43
1395.6768800	36.02
1396.5535890	6.32
1398.1101070	0.68
1398.7398680	0.17
1399.7755130	0.64
1401.1622310	100.00
1401.9906010	33.00
1402.8128660	0.71
1403.7323000	0.62
1405.6705320	2.63
1406.8980710	2.58
1407.6568600	0.37
1408.5107420	0.52
1412.5133060	0.27
1416.0428470	0.23
1418.2088620	0.20
1422.5493160	0.08
1430.9573970	0.17
1432.8123780	0.25
1437.1555180	0.19
1446.1103520	0.30
1460.2679440	0.40
1466.3817140	0.25
1470.0809330	0.26
1472.3929440	0.35
1479.0177000	0.04
1483.8184810	0.12
1489.6583250	0.42
1503.0836180	0.20
1505.9661870	0.05
1510.6822510	0.30
1523.5404050	0.21
1525.4615480	0.50
1550.2100830	0.48
1561.1416020	0.14
1574.6424560	0.07
1575.3022460	0.08
1585.3326420	0.11
1586.4180910	0.46
1588.5491940	0.23
1596.5279540	0.43
1600.0096440	0.25
1602.0351560	0.32
1614.9000240	0.21
1620.9818120	0.06
1626.8538820	0.40
1644.0139160	0.10
1649.4483640	0.46
1653.7879640	0.29
1663.3807370	0.08
1667.2395020	0.03
1670.9454350	0.34
1675.3640140	0.37
1676.4066160	0.23
1684.8397220	0.29
1690.0144040	0.16
1700.0393070	0.29
1702.5402830	0.06
1704.9901120	0.20
1717.1330570	0.32
1727.0272220	0.28
1737.6589360	0.15
1740.9681400	0.56
1744.2893070	0.04
1747.5352780	0.29
1748.9881590	0.16
1749.8815920	0.37
1762.5841060	0.11
1764.9278560	0.20
1766.9432370	0.17
1771.2061770	0.42
1775.9312740	0.19
1788.0393070	0.59
1790.5870360	0.73
1792.2572020	0.06
1793.4222410	0.28
1797.7525630	0.15
1799.5972900	0.43
1810.0609130	0.21
1812.7928470	0.28
1817.0721440	0.21
1818.7486570	0.14
1822.5051270	0.66
1823.7146000	0.25
1834.2854000	0.21
1839.5643310	0.22
1841.0656740	0.48
1845.4128420	0.19
1846.7052000	0.08
1847.3786620	0.05
1849.1976320	0.18
1849.8562010	0.77
1851.3016360	0.46
1854.8103030	0.44
1860.5817870	0.08
1864.1082760	0.10
1865.0433350	0.22
1865.7015380	0.57
1866.6805420	0.04
1868.6182860	0.29
1872.1263430	0.27
1874.4919430	0.09
1879.3532710	1.18
1880.7325440	0.53
1883.3721920	0.66
1888.4113770	0.12
1892.1341550	0.03
1893.5621340	0.31
1898.4420170	0.15
1899.5733640	0.06
1901.2453610	0.26
1901.9459230	0.33
1905.0445560	0.44
1907.2147220	0.08
1909.3424070	0.24
1910.6563720	0.14
1912.9353030	4.47
1914.1451420	0.11
1918.9410400	7.38
1924.1942140	0.61
1926.9079590	0.08
1927.7410890	0.25
1928.4865720	8.83
1929.3614500	0.06
1931.0684810	0.35
1933.2653810	0.20
1936.5959470	1.42
1937.2330320	0.54
1938.3464360	0.70
1940.3792720	1.32
1944.1296390	0.06
1945.1788330	0.19
1948.8770750	0.71
1950.0690920	3.24
1950.7419430	0.53
1953.7471920	2.94
1956.3782960	0.28
1958.9949950	0.73
1961.5533450	0.14
1963.0821530	0.31
1964.4532470	0.18
1965.4283450	0.19
1969.1732180	2.48
1972.0523680	0.12
1976.2395020	1.33
1977.5247800	0.38
1978.2297360	0.50
1979.2580570	0.08
1980.4080810	0.27
1981.2113040	0.60
1982.3796390	0.05
1984.3360600	0.61
1985.2239990	0.17
1985.8797610	0.14
1988.3028560	16.35
1989.0212400	0.68
1990.1423340	0.26
1991.3762210	0.05
1992.1351320	0.37
1994.4051510	6.67
1996.9805910	0.29
1998.0311280	1.64
1999.0017090	1.58
1999.8679200	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
90.84417725	0.37
94.81390381	0.34
96.97616577	1.01
98.78050232	0.50
106.9430466	1.03
108.9814148	1.66
110.8951035	0.11
113.1863861	0.09
117.3824921	0.30
118.988678	0.25
121.1013565	0.64
122.849472	0.85
124.9857254	0.55
126.9765091	0.57
129.0061035	0.46
130.9416199	0.09
132.9955139	0.71
135.1295166	1.45
137.0674744	0.43
139.0671692	1.76
141.1764832	1.19
142.9789734	0.38
146.9595642	0.73
149.2397156	1.01
150.9892883	0.56
152.9755249	2.17
161.1044769	0.64
163.2270508	0.25
164.8747253	0.47
169.005188	1.54
171.2480011	0.60
173.0079498	0.14
174.9268799	0.67
177.1581116	0.69
179.0607605	1.09
183.1769104	3.78
185.1577148	1.80
189.2427216	0.48
193.1584778	1.46
195.1443481	1.12
197.0340576	5.66
199.2475586	1.05
200.7445374	0.61
201.4058228	0.50
203.0503845	0.59
205.2426147	0.59
207.1479187	0.29
209.3015442	0.49
211.2081909	1.90
213.3123779	1.11
214.1828308	0.47
215.2281799	0.71
217.1235657	0.63
219.394104	1.37
221.1829529	2.98
223.2952271	0.92
225.2507019	1.47
227.081543	0.48
229.3138733	0.31
232.4408569	0.53
233.1631775	3.31
237.2112732	2.78
239.2237854	9.52
241.0032959	0.31
243.2906189	1.91
249.9669189	0.10
251.3041992	1.35
253.1774292	1.05
255.1427002	1.25
257.1098022	1.17
261.3154297	3.03
263.4783936	0.30
264.9142456	0.22
267.7657166	0.17
269.2796936	0.25
274.267395	0.28
279.2271118	100.00
280.22229	0.18
282.0900269	0.07
296.4284058	0.09
297.5255432	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.97
Annotation	Unknow
Peak:m/z	Relative Intensity
112.6092987	0.05
164.9954681	0.17
170.3243103	0.13
229.0462341	0.15
247.6326599	0.15
263.2854004	0.31
269.7504883	0.07
288.0285339	0.09
289.0201416	0.06
290.8967590	0.39
292.3304138	0.24
297.4544983	0.20
303.2276306	0.25
307.2283630	0.66
309.3340454	0.16
313.9886475	0.11
320.2267456	0.30
321.0771179	0.08
332.0013733	0.85
334.0375671	0.16
347.4793091	1.07
348.1002197	1.72
357.9035950	0.48
373.2329407	0.40
374.9027710	0.34
376.2101746	0.70
392.2834778	0.09
394.0982971	100.00
401.1844177	0.85
402.0228577	1.19
405.5289307	0.21
419.0514832	5.19
420.1287537	11.44
421.0323181	0.20
429.5111389	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1138.7632
Annotation	Unknow
Peak:m/z	Relative Intensity
349.5037842	0.04
354.5506592	0.08
427.4038086	0.14
441.8507385	0.07
442.4587097	0.07
443.4511719	0.04
578.6557617	0.30
665.1916504	0.04
683.5729980	0.26
732.3599854	0.12
764.3891602	0.23
782.8177490	0.06
961.4660645	0.15
997.3052979	0.10
1014.3317870	0.16
1017.1806640	0.35
1017.8554690	0.14
1023.6446530	0.11
1025.3688960	0.37
1026.7606200	0.16
1035.8017580	0.67
1039.3649900	0.29
1040.6440430	0.50
1041.7407230	1.08
1044.9968260	0.11
1046.4963380	0.66
1047.3031010	0.53
1049.1481930	1.23
1050.1093750	0.55
1052.3171390	0.32
1053.6997070	4.99
1054.4219970	0.60
1056.5767820	0.40
1058.1877440	2.48
1059.1560060	0.26
1061.6063230	0.41
1064.5736080	0.06
1065.5866700	0.27
1068.5223390	0.89
1069.7160640	1.87
1070.7152100	0.66
1072.8688960	0.52
1074.3725590	2.41
1075.0228270	0.86
1075.7371830	0.57
1076.6796880	0.86
1078.0925290	2.84
1079.0452880	0.53
1079.9768070	0.65
1080.8300780	0.10
1081.9985350	4.02
1082.6235350	0.85
1083.2912600	1.43
1084.1511230	0.07
1085.2434080	0.59
1086.6096190	12.70
1087.4394530	3.96
1088.6923830	1.42
1089.3383790	0.03
1091.0306400	1.02
1095.5220950	4.23
1096.2614750	0.09
1097.8540040	2.45
1099.5762940	7.95
1100.5673830	2.22
1101.8842770	6.66
1102.5615230	10.13
1104.2375490	6.01
1105.0930180	0.61
1106.6412350	30.92
1107.5856930	3.18
1108.4686280	0.64
1109.4470210	0.54
1111.0844730	30.11
1111.9599610	1.40
1112.7136230	0.76
1115.2634280	11.61
1116.5124510	0.31
1117.4719240	0.21
1118.5736080	0.34
1120.0910640	0.18
1120.7175290	0.15
1121.9449460	0.36
1122.6779790	0.43
1123.9405520	1.08
1124.6755370	0.56
1125.4473880	0.20
1126.5048830	2.84
1127.9526370	0.28
1128.7087400	0.14
1132.0368650	0.06
1196.2878420	1.29
1197.2736820	0.05
1198.7758790	0.20
1208.0374760	0.13
1216.0623780	0.95
1218.7441410	0.40
1233.9178470	0.16
1234.9216310	0.11
1236.4882810	0.11
1237.6176760	1.54
1240.8813480	0.18
1242.8118900	0.16
1250.6856690	0.24
1255.7366940	0.67
1257.7629390	0.09
1271.9732670	0.59
1273.9328610	0.19
1297.1816410	0.32
1299.3438720	0.82
1300.6896970	0.43
1301.6726070	0.12
1307.5424800	0.14
1309.5683590	0.39
1310.7829590	0.16
1311.7010500	0.27
1313.0733640	0.30
1313.7092290	0.82
1315.9526370	0.71
1317.7623290	0.15
1319.6951900	0.15
1321.1759030	0.15
1325.4610600	0.38
1328.7749020	0.70
1333.5552980	0.62
1334.4123540	1.01
1335.1558840	0.63
1337.0626220	0.83
1339.3414310	0.32
1340.9075930	0.09
1341.9371340	0.12
1343.1776120	0.28
1344.0827640	0.25
1344.7623290	0.26
1345.7448730	0.44
1346.8120120	0.78
1347.8582760	0.42
1349.3306880	0.25
1352.6588130	1.06
1353.3718260	0.85
1355.0013430	0.93
1355.8089600	0.20
1357.4704590	0.71
1358.2814940	0.18
1360.2054440	0.80
1363.2755130	2.10
1365.3530270	1.08
1365.9993900	1.34
1367.1658940	0.42
1368.0561520	0.15
1370.6403810	0.75
1372.0777590	4.50
1372.9331050	1.60
1373.8483890	1.96
1374.8345950	0.08
1376.7678220	1.06
1377.9744870	1.40
1378.9951170	0.29
1380.8680420	1.46
1382.4222410	0.24
1383.6735840	0.37
1384.5477290	0.89
1385.2839360	0.81
1387.3717040	0.47
1389.2663570	1.80
1390.0617680	0.62
1391.3385010	1.62
1392.5021970	0.54
1394.6480710	1.88
1395.7277830	6.51
1396.3602290	3.10
1396.9622800	0.37
1398.3062740	1.79
1399.5467530	0.58
1400.6407470	0.47
1401.2620850	0.33
1403.3367920	1.47
1404.3050540	4.30
1404.9564210	3.93
1405.5965580	1.14
1406.6204830	0.18
1408.7015380	0.39
1410.0361330	21.99
1410.7926030	11.22
1411.6571040	0.26
1413.4329830	0.30
1414.9034420	0.35
1415.6036380	0.05
1416.6234130	0.53
1419.1002200	0.87
1419.9726560	0.49
1421.1461180	0.97
1422.4190670	0.95
1423.2601320	1.59
1423.9332280	0.71
1425.1276860	0.04
1425.8204350	0.73
1426.7698970	0.48
1428.0487060	0.73
1429.5244140	6.78
1430.3322750	0.77
1431.3959960	4.01
1432.0030520	0.96
1433.4201660	0.37
1434.2449950	0.83
1435.5010990	1.41
1436.6724850	1.83
1437.4725340	12.39
1438.6627200	2.92
1439.5246580	1.01
1440.1746830	0.47
1441.1434330	1.86
1442.6500240	14.04
1443.4827880	28.01
1444.6434330	0.68
1446.9409180	0.57
1448.1156010	16.64
1448.8382570	100.00
1449.9063720	3.53
1451.0443120	0.78
1451.9365230	1.04
1452.9947510	0.26
1454.4169920	0.83
1457.1254880	1.37
1458.8653560	0.11
1460.2042240	1.04
1461.1878660	0.26
1462.4476320	0.61
1463.2764890	0.50
1464.0395510	0.82
1465.9356690	1.20
1469.3133540	5.94
1470.3292240	1.05
1471.7349850	3.33
1472.9422610	0.24
1473.7896730	0.06
1474.8247070	7.22
1475.4652100	16.98
1476.5794680	1.21
1477.4682620	0.07
1479.3491210	0.09
1480.3737790	6.35
1481.0987550	74.50
1482.0379640	9.37
1483.1049800	1.07
1483.9919430	0.95
1484.6197510	1.64
1485.7164310	2.43
1486.4554440	7.40
1487.4021000	0.63
1488.3840330	0.55
1489.7940670	1.02
1490.4852290	0.72
1491.5848390	0.53
1501.5093990	0.06
1507.9207760	0.05
1514.6690670	0.03
1517.0421140	0.06
1560.8756100	0.21
1601.2878420	0.12
1616.6156010	0.07
1660.9713130	0.05
1667.2209470	0.23
1676.3480220	0.05
1686.5485840	0.24
1696.2838130	0.18
1698.7115480	0.06
1702.8737790	0.28
1713.0694580	0.18
1715.4268800	0.20
1719.6241460	0.04
1724.0349120	0.16
1731.6033940	0.27
1735.8493650	0.08
1738.9749760	0.15
1744.1965330	0.06
1751.6351320	0.13
1761.6564940	0.08
1780.1296390	0.21
1803.3944090	0.03
1806.9353030	0.15
1808.4621580	0.06
1809.9826660	0.04
1819.7564700	0.27
1839.1182860	0.71
1842.0246580	0.18
1843.2491460	0.98
1854.1413570	0.38
1863.1300050	0.13
1865.9925540	0.06
1868.0892330	0.20
1872.3190920	0.24
1874.6268310	0.23
1876.8775630	0.09
1880.0789790	0.24
1880.8675540	0.07
1892.7440190	0.07
1893.6291500	0.08
1896.4068600	0.18
1901.4240720	0.16
1904.7882080	0.11
1907.1008300	0.24
1910.6407470	0.23
1912.0992430	0.15
1919.1187740	0.05
1921.6568600	0.18
1922.8802490	0.26
1924.0662840	0.14
1929.1512450	0.17
1933.2152100	0.04
1935.2445070	0.74
1936.9041750	0.10
1938.0289310	1.21
1939.1516110	11.90
1944.8664550	0.18
1950.5206300	0.04
1951.2755130	0.30
1952.9552000	0.04
1954.3988040	0.64
1955.9411620	1.92
1957.0192870	3.26
1958.9078370	1.05
1961.5397950	0.52
1962.2932130	0.04
1969.4724120	0.09
1970.2772220	0.44
1973.2194820	0.17
1974.2403560	0.34
1975.0513920	1.20
1976.8054200	0.42
1978.5989990	0.09
1982.1231690	1.67
1982.9237060	0.46
1983.8459470	0.13
1986.2706300	0.35
1987.5827640	0.85
1988.8343510	0.29
1991.4305420	0.60
1992.8009030	0.43
1993.9041750	0.40
1998.0319820	0.20
1999.3038330	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	438.98
Annotation	Unknow
Peak:m/z	Relative Intensity
151.1008148	0.11
175.6377869	0.21
181.9312439	0.03
198.8637695	0.06
202.9038239	0.24
223.3132324	0.14
226.6950073	0.27
227.3277893	0.20
228.9571533	0.26
240.3322754	0.33
242.8464966	0.40
246.8398438	0.15
258.1159668	0.94
260.4487915	0.04
269.2552795	0.08
270.9761047	0.79
273.2351379	0.19
287.1580811	0.03
298.2965698	0.14
305.0153503	2.94
307.1736450	0.13
309.1062927	0.06
314.9869995	1.80
330.1454468	0.09
331.0530396	0.05
332.9320068	5.17
333.5913696	0.04
335.1177368	1.65
343.0364380	0.32
345.5606384	0.30
348.9635620	0.39
359.0181885	0.63
364.2871704	0.06
376.8965759	5.05
379.1293640	0.19
391.6228638	0.09
393.9977417	4.35
395.0635681	4.88
403.0331726	9.93
403.6690063	0.03
410.3934631	0.07
420.9944763	100.00
421.6440125	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	251.1383
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
71.97137451	2.00
88.9079895	7.09
111.9029846	0.07
114.0322266	3.50
115.0157471	1.96
117.2954407	0.25
133.0352936	0.12
137.9375763	1.84
163.131897	6.64
164.9858856	0.17
173.1727142	0.33
175.0267792	1.01
177.3034058	0.10
181.0514984	0.11
192.1579437	4.59
193.082489	0.05
194.9749451	0.24
204.9151764	0.07
209.2160492	0.58
210.1196747	0.17
234.1209869	100.00
236.0681152	0.28
242.3151093	0.58
252.8552399	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	506.1515
Annotation	10-(Methylthio)decyl glucosinolate
Peak:m/z	Relative Intensity
149.0942383	0.07
153.6999969	0.13
159.0821838	2.31
162.0241547	0.13
163.8650818	0.06
165.9388733	1.02
166.9605865	0.34
170.1054688	0.10
177.9412231	0.27
179.0648041	0.13
181.1462402	0.20
182.0445557	0.36
185.0410461	0.06
188.1115417	0.57
189.1826172	0.06
190.0789185	0.05
191.4037170	0.09
198.1159973	0.99
199.1228943	0.83
199.9328461	0.20
203.9485474	0.18
206.1818848	0.53
207.4007263	0.11
209.1989746	0.18
212.9706726	0.17
213.8441772	0.13
215.2171173	0.05
217.2455444	0.11
218.0044250	0.38
219.4986725	0.12
222.1392822	0.67
224.1641693	1.76
228.8952942	0.09
232.1960144	0.41
233.2499390	0.61
234.3618164	0.09
238.1043701	0.27
243.0452423	0.04
250.2549591	0.30
250.9157562	0.12
253.8853760	0.14
255.2470093	0.17
256.2344666	0.34
257.0934143	0.08
258.2005920	0.10
261.1594543	0.45
262.1620483	0.10
274.1402893	0.90
275.0922241	0.48
278.3658142	0.43
285.0703735	0.12
289.2186584	0.56
292.2625732	0.18
293.2825928	0.06
301.3468628	0.17
302.2220459	0.07
307.3571777	0.12
308.1898193	0.07
309.3374634	0.05
313.2241821	0.05
314.2463379	0.08
315.4969177	0.10
319.1818237	3.32
320.1746216	23.04
321.1066895	4.87
322.2406616	0.09
323.3984985	0.34
325.2360229	0.53
326.4020081	0.08
328.2609558	4.71
329.2078247	1.93
335.2490234	0.50
336.2855225	0.30
337.3934326	0.11
339.2030334	0.13
340.3741455	0.87
341.2864075	0.31
342.1896057	0.26
345.0016479	0.25
351.2308960	0.35
353.2667847	56.69
354.3522034	15.24
356.7239990	0.19
359.1408691	4.32
360.2497559	0.50
367.3506470	0.50
368.3265686	0.04
371.1577759	0.60
372.0609131	0.68
375.2501221	0.15
382.9576111	0.09
385.2409363	100.00
386.2503357	34.04
387.2447205	1.18
388.5001526	0.31
389.7290955	0.11
395.0447083	0.06
399.1389160	0.11
405.4791565	0.05
409.2903442	0.13
415.9829407	0.32
417.1315613	0.68
418.6390076	0.38
419.2579956	11.07
420.2519531	3.25
434.8359070	0.11
437.4133911	0.26
442.7920227	0.47
444.2260437	0.74
444.9917297	0.03
448.0948792	0.27
460.3113708	1.90
461.3439941	1.84
462.3870544	0.69
470.6145630	0.09
472.4058228	0.06
474.8258667	0.22
479.1327209	0.12
488.1935425	9.67
489.2223816	13.61
490.3916931	1.69
506.8870544	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	898.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
323.1204529	0.36
343.0731201	0.23
431.0454102	0.33
455.2731934	0.27
457.9414062	0.12
569.2634888	0.21
587.2581177	1.15
659.3857422	0.16
686.5922241	0.31
792.4030151	0.26
798.6521606	0.45
911.9748535	2.48
928.6018066	0.18
931.2599487	2.55
932.0571899	2.69
939.8180542	1.15
943.1712036	0.79
944.5797729	2.98
946.6287231	0.15
947.8637085	0.30
949.1357422	0.14
949.9760132	2.75
980.2915039	2.32
981.7543945	2.27
984.9409790	8.84
987.8174438	1.74
993.7973022	0.88
996.5512695	3.01
999.5018921	1.66
1009.0415650	6.93
1011.9183960	2.84
1012.6088260	0.15
1013.3955690	0.20
1014.8127440	0.72
1017.7260740	0.13
1044.3774410	2.31
1074.9792480	5.49
1099.7623290	2.42
1115.3160400	1.61
1117.1701660	22.17
1120.0648190	0.18
1133.2541500	1.27
1139.9765620	12.08
1140.6145020	0.12
1158.3623050	1.31
1174.4018550	1.24
1178.5035400	1.21
1181.7347410	1.68
1182.4573970	0.29
1183.7431640	0.17
1185.3725590	2.55
1327.6397710	0.19
1489.1838380	0.18
1505.7760010	0.38
1568.3839110	0.13
1590.9934080	0.34
1594.3881840	0.27
1616.4747310	0.15
1638.9293210	0.25
1642.5762940	0.18
1657.5521240	0.40
1668.8067630	0.33
1682.9857180	0.15
1685.8096920	0.25
1712.6911620	0.14
1720.3724370	0.14
1728.9227290	0.13
1747.8988040	0.11
1761.4273680	8.23
1765.7760010	0.89
1769.3653560	0.26
1773.9315190	0.09
1782.7532960	0.28
1788.3708500	0.10
1790.5163570	0.09
1795.0787350	0.45
1799.9646000	0.17
1800.6619870	0.12
1805.3260500	0.49
1806.8093260	0.09
1812.0646970	0.47
1813.1813960	3.72
1820.5340580	0.13
1823.1475830	0.70
1824.3834230	0.27
1825.3157960	1.99
1827.9820560	0.85
1828.9605710	0.22
1830.1580810	0.27
1831.5777590	0.53
1833.6568600	0.12
1838.3040770	0.28
1838.9686280	0.10
1839.8763430	0.25
1840.8575440	1.10
1841.5954590	0.32
1842.5804440	2.63
1844.3446040	0.18
1845.0765380	0.39
1850.0264890	0.34
1850.7130130	0.53
1851.6949460	0.46
1852.9244380	0.37
1856.0720210	0.17
1858.2801510	0.19
1860.9271240	0.45
1863.2463380	0.57
1864.4144290	3.01
1867.9978030	14.97
1869.2375490	0.54
1869.8956300	0.23
1873.7962650	0.42
1874.6153560	0.33
1877.7673340	3.05
1879.4567870	1.35
1881.3347170	6.90
1882.1081540	0.38
1883.0057370	0.67
1884.9630130	1.37
1887.2769780	0.20
1888.2497560	0.26
1889.9255370	0.12
1892.2336430	5.63
1893.1558840	0.08
1893.7897950	2.23
1895.6639400	0.97
1896.8898930	10.74
1897.6466060	1.50
1899.4215090	5.38
1901.1671140	1.97
1902.2569580	0.27
1903.8585210	2.03
1904.4743650	0.30
1907.2335210	43.26
1908.8402100	0.63
1909.5041500	3.81
1911.8990480	0.34
1913.2337650	0.16
1914.4920650	0.22
1915.4444580	1.64
1917.5563960	4.80
1920.4796140	4.60
1921.1568600	0.80
1922.1051030	0.72
1923.1760250	0.13
1924.2214360	0.13
1926.7242430	0.54
1927.6364750	3.65
1928.3260500	2.71
1929.4468990	0.44
1930.0784910	0.24
1931.8278810	1.15
1932.7766110	0.20
1933.4904790	0.36
1935.1492920	0.40
1936.4797360	1.66
1937.1007080	0.76
1938.1888430	3.15
1940.9217530	6.78
1942.4478760	0.47
1944.1525880	0.43
1945.1672360	1.60
1945.8211670	0.12
1947.0311280	9.52
1947.7565920	1.41
1948.3824460	0.55
1949.2868650	1.01
1950.3643800	0.76
1951.8868410	3.10
1952.7166750	0.16
1953.4367680	0.81
1954.2839360	5.80
1956.9993900	0.34
1957.6297610	0.14
1958.4768070	6.19
1960.0109860	9.53
1960.6571040	0.74
1962.4361570	0.84
1963.8004150	1.63
1964.8337400	0.71
1966.6842040	1.67
1967.8933110	2.67
1968.8337400	3.16
1969.9154050	7.09
1972.1379390	1.66
1973.3557130	0.84
1974.5113530	100.00
1975.9129640	1.24
1977.2703860	4.91
1977.9615480	0.78
1978.7030030	0.61
1979.9073490	2.33
1980.9040530	16.68
1982.1882320	3.86
1984.3806150	5.28
1987.6019290	0.99
1988.2647710	0.20
1990.5026860	1.65
1991.7088620	1.41
1993.2653810	5.63
1994.0826420	1.81
1995.2259520	7.38
1996.1156010	0.19
1996.8165280	3.06
1997.9097900	4.08
1999.4348140	6.85
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.96
Annotation	Fluazinam
Peak:m/z	Relative Intensity
136.9702759	0.63
193.1608734	0.13
206.9069672	0.29
222.1976318	0.93
251.1491089	4.47
252.1987305	5.06
253.1448975	5.53
294.9743347	0.48
296.7880249	0.71
380.7908936	100.00
381.4255066	0.38
418.1679077	0.86
420.8124390	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0929
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
96.63024902	1.06
100.9788361	10.54
113.0039062	6.20
119.0371552	49.30
124.9826279	0.70
129.1066895	0.94
132.9209595	5.91
142.909668	4.74
153.0228271	0.97
158.9676819	6.55
161.0506592	35.36
163.04039	100.00
165.1393127	1.37
166.041275	0.97
170.0527496	0.89
181.2830048	1.28
183.1031036	1.87
187.2080536	1.58
188.0537415	1.15
199.251236	0.59
209.0360718	16.13
211.1313477	0.92
220.2249146	0.82
228.6916809	0.78
235.1690369	1.64
244.1982117	0.47
255.0825806	1.90
257.1092834	1.16
261.5902405	0.66
265.2456055	0.51
267.279541	0.90
278.1988525	2.99
279.1456909	7.25
280.645874	2.38
281.4512329	2.16
283.2012634	0.51
289.353302	0.77
293.2006226	1.17
294.2008667	0.48
295.0911865	2.87
297.3870239	0.70
304.160614	1.42
305.2999573	0.68
307.3257446	9.05
310.4098816	1.09
311.3092346	0.43
325.3989868	0.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	628.3024
Annotation	Macrostemonoside C
Peak:m/z	Relative Intensity
267.0444946	0.05
284.9750977	0.05
300.1118774	0.05
351.2918701	0.08
359.4011841	0.05
396.4904785	0.10
425.1846313	0.02
493.8083496	0.11
506.0123901	0.02
514.4514771	0.07
523.3062134	0.23
524.3342896	1.92
544.4851685	0.13
546.4338989	0.54
582.4098511	0.04
584.3700562	0.18
585.1594238	0.06
589.7235718	0.05
605.4177246	100.00
606.2919312	0.21
607.5097046	0.99
608.5258179	0.12
609.5857544	0.41
610.3775635	0.10
612.2703247	0.15
613.7462769	0.05
741.8551636	0.05
766.8882446	0.16
837.5471191	0.02
849.6127319	0.14
887.3932495	0.15
888.0002441	0.14
929.7246704	0.09
1049.8076170	0.23
1096.0812990	0.06
1211.8543700	0.17
1234.1082760	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	560.3953
Annotation	gamma-Solanine
Peak:m/z	Relative Intensity
157.0485535	0.30
157.9202576	0.12
159.3587646	0.22
166.3108215	0.20
169.1594086	0.40
173.1686554	0.04
182.3395996	0.06
183.1252289	0.05
185.0227051	0.19
197.1367950	0.06
198.2076416	0.15
201.0596008	0.06
204.4340515	0.03
211.9786377	0.05
222.0898285	0.03
224.3408356	0.03
225.3383331	0.21
226.3721008	0.06
237.8948059	0.08
239.4708099	0.03
253.3059082	0.70
254.2281799	0.25
279.9732056	0.04
280.5930786	0.05
307.7929688	0.12
325.0704346	0.12
339.5004272	0.36
352.6120605	0.16
366.4169922	1.33
367.5205688	0.76
380.4719238	5.07
381.5451660	2.27
382.3660889	0.13
383.8544312	0.07
384.4602051	0.36
385.4669189	0.20
389.5126953	0.03
396.2948608	0.18
398.5029907	17.01
399.5066528	9.16
400.5493774	0.98
412.5459595	0.14
433.7308350	0.03
440.6174927	0.24
441.4292603	0.18
458.3933105	0.05
459.0619507	0.03
463.9848633	0.08
470.5092163	0.15
474.9736938	0.13
479.1946411	0.07
483.7097778	0.05
499.2124634	0.10
500.5159912	0.10
503.5333862	0.03
515.0369263	0.07
528.9981079	0.23
543.3001099	0.06
544.6140747	0.21
545.2447510	0.04
560.5701294	100.00
561.6047974	7.30
562.6554565	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	885.95
Annotation	Unknow
Peak:m/z	Relative Intensity
233.7632446	0.45
310.4084778	0.96
570.5825806	0.80
735.0310669	1.17
859.6339111	0.70
916.7744751	18.01
935.5292358	3.96
936.8808594	4.67
939.5556641	0.39
970.7745972	4.46
973.7354126	4.11
983.9299927	2.36
994.9251099	6.26
997.8489380	5.40
998.4910278	0.67
1001.9528200	1.05
1009.8859250	3.09
1099.6207280	25.37
1100.3107910	4.36
1122.7275390	18.28
1150.5643310	5.18
1160.3221440	5.79
1164.6103520	3.39
1360.7507320	0.19
1458.2689210	0.34
1492.3208010	0.33
1553.4273680	0.54
1565.7609860	1.43
1566.9849850	0.55
1579.4390870	1.08
1591.9291990	0.44
1627.7980960	0.82
1628.4805910	0.71
1634.7365720	0.27
1639.4066160	0.28
1647.1990970	0.26
1651.2864990	0.28
1664.4051510	1.81
1687.1442870	0.33
1709.5080570	0.62
1719.5770260	0.31
1723.2972410	0.23
1733.8963620	1.19
1736.2482910	1.06
1739.4279790	0.64
1745.3796390	0.67
1747.6683350	0.31
1755.0828860	1.19
1757.0469970	0.45
1758.7552490	1.68
1760.9842530	1.02
1764.3464360	0.80
1767.1273190	1.07
1779.8654790	0.41
1782.4113770	0.69
1787.4813230	0.44
1790.8602290	0.84
1795.3410640	0.34
1797.5935060	0.89
1799.2193600	4.38
1800.9620360	0.72
1803.0477290	0.98
1805.3636470	0.31
1809.8483890	0.70
1811.1643070	0.46
1812.2330320	1.16
1815.0241700	0.84
1820.2897950	2.71
1821.5999760	0.85
1824.1428220	0.45
1827.5939940	9.21
1830.8785400	0.65
1832.1905520	0.40
1833.8111570	3.69
1836.9849850	0.31
1838.9885250	2.08
1839.8610840	0.60
1840.4622800	0.21
1842.7864990	0.73
1846.8137210	0.69
1847.9328610	0.21
1849.5343020	2.64
1850.4334720	0.36
1851.0705570	0.84
1853.7849120	1.72
1855.2457280	0.55
1856.7785640	1.71
1859.2772220	0.88
1860.9442140	0.60
1862.6751710	0.34
1864.9543460	0.38
1866.0650630	1.29
1867.7912600	0.23
1868.6013180	0.84
1871.0479740	4.63
1872.2174070	4.05
1874.9909670	1.14
1878.1502690	0.86
1880.3830570	0.57
1883.7593990	0.47
1884.8280030	3.62
1886.2625730	4.48
1888.0427250	26.74
1889.2766110	0.26
1890.7097170	0.48
1894.5222170	0.50
1897.3513180	0.99
1898.6380620	0.38
1900.9652100	1.24
1902.0577390	0.78
1903.3746340	9.96
1905.1776120	6.29
1905.9680180	2.25
1907.0324710	15.37
1908.2423100	2.83
1908.8797610	87.22
1911.7882080	1.32
1913.7369380	22.33
1914.5120850	2.56
1917.4157710	4.49
1918.5667720	2.83
1919.9202880	5.83
1920.8972170	1.30
1923.2692870	7.43
1924.6716310	6.79
1926.3562010	2.85
1927.1154790	2.03
1928.3302000	0.46
1929.5516360	13.10
1930.5782470	2.96
1931.2028810	0.53
1932.1627200	1.03
1933.2545170	2.48
1934.1818850	33.04
1935.2058110	0.76
1936.0201420	23.04
1938.6844480	73.47
1939.3083500	49.47
1940.7430420	4.61
1941.8824460	15.91
1942.7137450	4.06
1943.4617920	0.38
1944.7816160	4.90
1946.5208740	4.91
1947.3630370	4.77
1948.1593020	1.33
1948.9859620	1.72
1949.6397710	0.53
1950.4273680	9.32
1951.8117680	25.70
1953.6579590	2.74
1954.7248540	56.09
1956.1121830	64.25
1958.1956790	0.60
1959.7552490	7.60
1960.9395750	26.63
1962.1600340	100.00
1962.9129640	4.37
1964.0676270	17.00
1964.9929200	6.43
1966.0880130	9.19
1966.7233890	33.97
1967.4202880	13.02
1968.2686770	0.44
1969.0518800	2.19
1969.8236080	11.98
1970.8000490	8.38
1971.5355220	8.63
1972.2584230	14.46
1973.0021970	2.72
1974.1243900	17.82
1975.7471920	6.14
1976.6109620	10.96
1977.2727050	2.38
1978.0347900	2.56
1979.1242680	39.90
1979.7316890	3.05
1980.7618410	3.91
1981.5646970	4.11
1982.4694820	1.77
1983.6052250	59.26
1985.2404790	9.76
1986.3404540	1.21
1987.7830810	10.77
1989.1441650	1.97
1990.1527100	1.89
1991.3433840	23.82
1992.5748290	57.51
1993.5748290	1.21
1994.8464360	13.74
1995.7189940	1.65
1997.1491700	1.01
1998.0075680	2.66
1999.7991940	3.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
82.90557861	0.57
84.85782623	0.68
88.92077637	3.89
93.05458832	0.96
95.03517914	11.20
96.75025177	3.31
98.50346375	1.45
99.11051178	0.44
101.0323334	6.41
106.9725342	3.65
109.0469437	2.90
111.0483017	3.17
111.9623566	0.51
114.9024811	4.29
117.141983	0.64
119.7112885	0.34
121.0791779	4.44
123.0509186	1.75
124.9924316	1.20
133.1509399	5.30
135.1270752	7.29
137.1478577	3.49
139.0523529	0.22
141.0170898	0.25
141.6331787	0.53
143.1197052	2.42
144.7630615	1.05
149.0806274	4.21
151.0194092	2.90
153.0669403	0.59
154.8007355	0.39
160.9079132	0.96
161.5251923	0.89
162.1274567	0.48
163.1600952	0.98
165.0913544	6.55
166.9498291	1.98
168.7619629	1.66
170.1282959	0.84
171.1571198	3.60
173.2272034	1.71
177.0660248	7.37
183.1443481	2.62
189.1107025	1.95
195.0496216	1.21
197.2131042	2.87
198.8943481	2.75
201.092926	0.54
205.3370056	0.37
213.2217712	5.91
221.0666809	0.72
223.1574707	1.58
225.1482239	8.95
227.6804504	0.89
229.1696472	1.51
237.2757568	1.11
239.2402954	8.27
241.0784912	4.24
247.3287354	33.16
250.540741	1.15
251.3959656	0.72
261.475769	0.69
265.2624512	100.00
266.2536011	1.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	271.19
Annotation	Celorbicol
Peak:m/z	Relative Intensity
71.54994202	0.81
91.1593399	1.06
93.17134094	0.30
95.14053345	0.33
96.97845459	1.63
99.03527832	1.20
100.9798279	0.47
105.1792908	0.58
110.9187164	0.71
112.8569336	0.36
115.1755524	1.41
118.6222839	0.93
120.8273163	0.97
125.0636292	1.03
127.09935	0.93
129.0536652	0.45
135.0381775	0.80
141.1309357	0.81
143.163269	1.58
146.9512634	4.95
149.1526947	0.62
150.9286652	0.88
155.1941071	2.54
157.0846558	4.64
157.8011932	0.47
161.0973358	0.72
163.0193024	0.30
169.172287	0.80
171.3345337	1.63
172.2127075	1.04
172.9784546	0.33
175.0578003	2.99
179.0307922	1.43
183.3238983	3.44
186.1427765	0.58
188.8065033	1.41
193.1442413	2.15
197.2307587	1.90
201.1274567	1.57
209.2761078	0.64
211.0306854	1.79
212.9599915	2.92
215.2037201	1.53
224.9713593	2.25
226.999115	1.20
229.3798523	2.09
230.1217346	1.99
235.0266571	4.63
243.2743988	5.28
244.9873199	0.39
253.1776123	100.00
254.2152557	0.27
254.9858246	0.35
271.0541687	2.33
271.8875427	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	306.95
Annotation	Unknow
Peak:m/z	Relative Intensity
95.2735138	0.18
146.8883209	0.72
163.6637115	0.24
167.8195648	0.40
174.8522644	25.35
208.9562683	100.00
223.0077209	2.64
251.1288452	0.07
260.1253662	0.37
261.9614868	0.22
288.3855286	0.40
289.2934875	0.47
290.1244507	0.20
306.9573975	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	619.235
Annotation	Woorenoside V
Peak:m/z	Relative Intensity
188.0827026	0.13
233.7137299	0.14
249.3745880	0.11
284.1726074	1.64
306.1159973	0.12
320.0865479	0.08
353.4077148	0.42
359.0296631	0.24
385.2020264	0.42
397.2100830	0.41
399.1809082	0.26
403.2408447	0.81
419.0802612	0.16
428.9899902	0.25
433.2287598	0.32
436.2967529	0.59
437.3560181	1.23
439.4920044	0.25
447.2487183	0.28
461.5081177	0.67
466.4124756	0.25
478.8228149	0.28
487.3977051	0.19
488.2847290	0.53
489.5990601	0.19
490.2998047	0.30
502.2758179	0.24
506.3181152	6.00
518.3341064	0.22
522.1277466	0.19
529.1979370	0.12
534.3306274	6.28
540.6011963	0.13
547.7119751	0.22
554.0093384	0.13
556.0913696	0.16
573.4151001	3.30
575.0960693	0.31
584.3893433	0.26
591.4343872	0.97
602.2214966	100.00
603.0126343	0.16
618.5716553	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	281.16
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
89.2415848	1.10
114.7369080	6.05
115.4383240	0.41
133.2296753	0.37
136.2249908	0.37
151.1004333	1.04
152.0907745	0.43
163.1305847	0.40
174.2955017	0.24
192.9767456	1.67
193.8175964	0.60
197.2702332	0.64
205.6348877	0.37
210.1321106	0.44
216.6921997	0.35
221.2631531	16.93
222.2843018	9.83
223.2609558	0.91
227.3069153	0.86
235.2092285	1.81
237.1541138	0.43
238.9517212	6.66
239.9606323	0.93
245.4190369	0.60
250.7615356	2.52
263.1410522	4.79
264.2405396	100.00
266.3445435	0.62
272.7030945	0.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	745.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
221.1695251	0.87
235.2370148	0.21
263.2628784	0.43
264.0495911	0.14
267.3102722	0.16
305.1575928	0.80
307.4146423	0.21
323.4325562	0.11
326.4191895	0.10
341.2113037	0.14
361.3734131	8.22
362.4678345	1.91
385.0454102	0.07
458.6164551	0.37
483.7092285	0.16
487.2166138	0.08
488.3637085	0.22
505.3858032	2.05
506.4114380	0.08
521.5485229	0.61
523.4517822	36.32
524.5589600	5.83
529.3199463	0.26
547.4215698	1.71
565.4666748	8.81
566.4735718	1.27
583.4547729	9.64
584.5488281	4.97
589.2816772	0.22
608.5011597	0.32
630.3876343	0.10
649.5656128	0.25
667.6025391	0.41
685.4617310	13.93
686.1583862	3.39
686.8845215	0.98
709.6575928	2.19
710.4522705	1.19
727.4420166	100.00
728.5119019	33.72
729.8356934	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.84
Annotation	Unknow
Peak:m/z	Relative Intensity
207.2550201	0.22
251.0254517	0.38
251.9659882	0.23
381.2020874	0.69
400.1709595	0.62
418.2269287	0.84
418.8888550	1.01
455.7303467	0.37
462.7421875	0.30
464.5260010	2.31
482.5722046	0.21
504.9901123	0.26
519.3678589	0.16
536.1644287	2.28
544.7622681	0.51
546.6108398	2.02
548.1172485	4.05
548.7883911	15.97
576.7412109	0.16
594.9299316	0.19
610.6027222	0.42
612.3677368	0.18
626.7232056	0.62
628.9165039	0.47
630.2715454	1.10
631.0368652	0.97
632.5063477	100.00
633.1795044	0.76
648.8760376	0.17
656.6156616	0.40
675.3252563	0.61
698.3674927	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3227
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
159.3951263	0.15
166.0386810	0.14
184.0749817	99.35
205.5636597	0.10
259.0702515	0.14
338.5339355	0.68
351.2929688	0.26
359.6048584	0.12
407.0203247	0.25
409.3063965	0.10
412.7496338	0.49
413.7774048	0.16
422.9572144	0.44
433.4013672	0.11
446.5848999	0.44
469.6719971	0.45
472.3378296	0.26
473.6911011	0.62
486.1182251	0.36
488.9496460	0.15
496.3541260	0.23
500.5070190	100.00
501.4854736	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.09
Annotation	Cordyformamide
Peak:m/z	Relative Intensity
111.0612335	0.06
111.9118958	0.08
112.8822556	0.06
126.9619751	0.06
133.9715576	0.05
135.0582428	1.67
136.1218567	1.24
137.0826111	0.28
137.9439697	0.07
139.1748352	0.09
144.5537567	0.05
155.0732574	0.13
156.0432739	0.31
161.0713806	0.50
162.0300446	0.25
163.2211304	0.06
173.0672150	9.88
174.1188507	5.08
175.1472168	1.48
179.1083527	10.09
180.0375366	10.74
181.0979462	2.58
187.8945007	0.02
191.0593262	100.00
192.0498657	82.40
193.0482788	28.24
204.0827484	0.03
217.9418945	0.07
221.0498657	0.05
225.1848450	0.09
267.0572815	0.03
275.3110962	0.12
283.9788818	0.07
300.3323975	0.06
310.2273865	0.06
311.3905945	0.08
318.1351929	0.04
336.1278076	0.23
340.2858276	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	189.12
Annotation	Leucyl-Glycine
Peak:m/z	Relative Intensity
60.0028687	0.03
83.9390869	0.58
101.9933624	0.08
114.9038544	0.06
125.9803467	100.00
128.8411102	0.13
130.0192413	0.56
142.9208679	94.22
143.5328827	0.04
153.7528076	0.07
161.0928955	0.08
171.1523743	0.18
172.0288391	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.96263123	0.37
107.1357803	0.33
109.051384	1.32
111.1293182	0.30
121.0014725	0.90
122.8859558	1.08
133.0342255	1.22
135.0949707	1.54
137.0489807	0.57
142.6708221	0.41
143.3009949	0.47
147.1004639	1.28
149.1177673	1.95
151.1474915	1.28
153.0507355	1.93
154.9205322	0.14
157.0188751	1.09
161.1431274	3.95
163.0972595	0.48
165.3135986	0.95
166.8574219	0.41
170.755127	0.56
174.188736	0.53
175.1020966	0.99
177.0625153	1.36
180.3887787	0.42
181.0833893	0.37
183.0728455	0.34
183.9690247	0.46
185.1947937	0.54
187.1007538	0.52
191.4967346	0.67
194.7394409	0.18
197.2171936	2.12
198.9869995	0.21
200.9978027	0.37
203.1165466	0.25
205.2094421	0.39
207.8682709	0.48
211.1663208	3.09
213.3082886	1.10
215.2113647	0.47
217.2594604	1.97
220.9049988	0.70
223.1473083	1.42
225.2245789	0.73
227.0671997	0.27
229.4038086	1.04
231.2935486	2.09
235.0567627	1.77
237.2208252	0.79
239.2136841	2.12
241.1963196	0.32
242.927002	1.59
244.2404785	0.34
245.2784424	0.44
247.2678833	11.19
249.244812	1.76
251.2039795	1.64
253.0821838	1.95
254.1296997	0.97
254.9744873	0.89
257.2623291	1.26
263.2886047	1.80
265.1634827	0.13
267.3478088	2.48
274.0336914	0.20
275.0599976	1.02
277.3106384	0.77
279.3843384	0.53
281.0577393	0.59
282.5105591	0.60
283.3380432	2.58
285.3744507	0.51
287.5927734	0.62
294.1292114	0.28
295.1531677	3.46
296.3851013	1.22
297.1329041	1.30
299.1785278	5.43
300.2525024	2.71
302.4750671	0.32
305.1880798	3.04
307.2739563	1.73
312.8689575	0.58
313.5019531	3.00
317.4775085	0.34
323.2334595	100.00
324.2269592	1.55
327.6359558	0.67
331.6953125	4.65
332.442627	1.65
340.6065063	1.77
341.3757019	2.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
85.04666901	0.23
95.07368469	1.26
96.60218811	0.62
99.29421997	0.17
108.9959259	0.91
110.7967529	0.47
121.3089752	0.27
122.9010315	3.10
124.9131622	0.63
133.1082458	0.89
137.0401611	0.60
139.0290833	1.26
143.1168518	0.86
144.6574707	0.23
146.0450439	0.53
147.203949	0.54
152.9132996	0.54
162.9749603	0.34
165.0013733	0.54
167.1017456	0.78
171.0762329	0.22
176.1552734	0.44
180.8323212	0.16
183.277832	0.65
184.861145	0.64
189.0065155	0.45
193.5068512	0.17
197.0767212	18.41
199.2644043	0.25
201.0942688	0.60
203.0882263	1.00
208.9631042	0.77
211.1437073	3.59
213.3498535	0.29
219.1942139	0.83
221.2991943	3.00
222.9913025	0.36
227.2007141	1.03
233.2067566	0.77
235.1583862	1.03
237.3225098	1.35
239.1713562	26.23
241.3174438	0.50
243.4940186	0.56
249.0917358	0.49
251.1146851	0.72
252.9952087	2.34
255.4601746	1.84
256.9588623	3.84
261.2232056	3.35
267.9693604	0.15
269.1265259	0.75
270.1868286	0.38
279.2403564	100.00
281.1742554	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	467.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
173.9845581	0.24
175.6668701	0.06
186.9076080	0.07
189.3795471	0.13
201.0089874	0.09
201.8814087	0.08
203.0835876	0.38
219.0984192	3.53
225.1528931	0.38
233.1743469	0.36
235.2123413	0.08
245.0258179	0.65
261.3702698	0.04
262.8593750	0.93
264.4054260	0.50
274.0683899	0.20
277.3791199	0.05
284.3221436	0.09
285.1397095	0.07
294.9001465	0.35
299.1284485	0.07
309.1814575	0.05
313.2593689	0.15
319.2484741	0.13
325.2880859	0.13
329.1535034	0.26
335.3618164	0.06
343.1022339	0.26
349.3557739	0.22
354.2761841	0.25
355.2090149	0.34
357.2539978	12.82
361.7573853	0.28
366.7809448	0.09
369.3069458	3.70
371.4380188	0.13
372.2220154	0.23
373.7919617	0.17
376.4797363	0.14
377.1770630	0.07
381.3085632	0.14
387.2505188	9.17
393.1983337	0.91
397.2777405	0.06
405.2839966	0.10
419.3605652	0.59
421.2966919	0.36
423.2694702	40.80
429.3151855	0.07
431.2094116	0.52
437.2693176	3.93
446.5186157	0.04
447.9727783	0.10
449.1327209	100.00
449.7544556	0.27
452.2756042	0.04
467.2330017	1.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	175.0247
Annotation	2-Dehydro-D-glucono-1,5-lactone
Peak:m/z	Relative Intensity
54.7609482	0.01
56.9636383	0.22
58.8832932	2.09
67.0720901	0.03
68.9603577	0.01
71.0052338	7.08
73.0309601	1.98
74.9354477	0.25
83.0015945	0.35
84.9186859	5.29
85.9629364	0.02
87.0125580	1.96
91.0555191	0.02
94.9016876	0.31
98.9244843	0.25
101.0032501	2.75
103.1379547	0.09
104.8664246	0.04
110.9308319	0.02
112.9579010	7.32
114.8855896	100.00
126.9742432	2.51
128.9934998	0.83
130.8354797	2.79
131.4754639	0.04
144.9377899	0.05
146.9561920	0.47
157.0267334	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1132.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
316.7258606	0.18
325.2270203	0.14
559.8814697	0.34
583.2279053	0.52
609.5318604	0.73
620.6058350	0.36
675.0181885	0.84
856.9152832	0.49
870.5343018	0.42
899.6462402	0.26
916.8762207	1.66
1004.9436040	1.07
1024.8168950	1.74
1030.5134280	2.90
1034.0307620	1.73
1034.9471440	0.39
1036.4348140	0.43
1037.2780760	0.76
1037.9981690	1.03
1046.7666020	0.73
1049.9511720	0.25
1050.8681640	0.20
1052.7551270	2.41
1060.9696040	1.66
1064.0544430	5.29
1065.5568850	3.15
1066.8807370	0.48
1068.4804690	1.58
1070.9674070	5.55
1075.1754150	6.80
1078.6018070	0.24
1079.7260740	30.72
1080.6209720	3.25
1082.3489990	2.06
1086.5612790	3.25
1087.4071040	0.53
1090.2662350	2.93
1091.2478030	1.13
1092.4171140	0.73
1093.0500490	4.10
1093.9559330	0.26
1094.9473880	7.08
1096.8198240	6.62
1097.4431150	0.89
1099.4008790	9.66
1100.1789550	2.73
1101.0996090	0.64
1103.9111330	31.61
1104.8221440	5.63
1105.4617920	0.80
1106.6347660	1.41
1107.6373290	3.18
1108.3134770	12.93
1110.2730710	1.62
1111.1993410	0.71
1113.0126950	0.30
1115.0756840	0.57
1116.2634280	0.63
1117.4992680	5.03
1118.3869630	0.59
1119.3349610	11.51
1120.3005370	1.56
1121.4351810	5.68
1122.3459470	0.13
1124.4716800	0.92
1212.1616210	1.24
1253.1501460	1.42
1302.5202640	0.36
1312.8052980	0.46
1320.0072020	1.66
1325.4194340	0.13
1328.8045650	0.97
1330.3499760	0.24
1334.8424070	0.58
1336.6313480	0.64
1344.6082760	0.75
1346.3719480	3.36
1348.8079830	1.16
1356.6436770	1.05
1357.9868160	2.96
1359.0708010	1.00
1361.5445560	2.50
1362.2950440	1.27
1363.5076900	3.70
1366.1611330	0.74
1367.0950930	2.88
1369.1510010	1.21
1371.0605470	4.08
1372.5903320	1.37
1375.4478760	2.77
1377.7672120	0.41
1380.2053220	1.94
1381.1839600	0.72
1382.5565190	1.73
1384.6242680	1.37
1386.4500730	12.06
1387.3177490	2.66
1388.1336670	0.60
1389.1679690	2.55
1390.1361080	1.49
1391.6846920	0.36
1393.5638430	1.63
1394.4324950	1.40
1395.3907470	9.61
1399.2109380	2.04
1400.4720460	10.66
1401.4132080	5.79
1405.1639400	0.87
1406.3963620	2.66
1411.3319090	0.30
1414.2841800	2.05
1415.5598140	0.88
1416.7142330	1.79
1418.7858890	4.10
1420.1500240	4.75
1420.8250730	7.40
1422.5177000	0.67
1423.4793700	1.18
1427.0528560	8.55
1428.1810300	7.82
1429.6939700	0.77
1430.7360840	0.77
1432.8514400	11.29
1433.5599370	14.43
1435.1439210	0.60
1436.9603270	0.29
1438.7860110	37.37
1439.4135740	100.00
1440.3326420	1.47
1441.0969240	0.18
1442.0419920	1.06
1447.1431880	0.32
1447.8488770	1.33
1449.1802980	1.57
1450.9561770	1.17
1452.4432370	1.09
1453.8487550	1.24
1454.4873050	1.80
1455.9029540	1.96
1459.3375240	2.06
1460.1131590	1.80
1461.1793210	5.77
1462.0048830	0.74
1465.4700930	8.92
1466.1027830	5.92
1468.2518310	0.72
1471.4110110	35.60
1472.0832520	10.31
1476.7592770	3.34
1477.8624270	1.06
1479.8277590	1.09
1481.2136230	0.79
1559.8068850	0.29
1562.5411380	0.11
1615.5537110	0.83
1627.2222900	0.12
1628.9127200	0.17
1631.6978760	0.11
1638.3161620	0.40
1654.7553710	0.35
1680.8034670	0.53
1684.6574710	0.64
1687.2623290	0.48
1702.7452390	0.40
1704.3446040	0.72
1706.0528560	0.86
1715.6739500	0.23
1729.9771730	5.08
1731.2077640	0.30
1733.1590580	0.16
1758.4656980	0.17
1768.8685300	1.22
1780.6610110	0.89
1781.3767090	0.22
1793.6112060	0.53
1804.2687990	0.17
1810.7990720	0.18
1818.1346440	0.45
1819.1462400	0.75
1819.7629390	0.12
1824.2640380	0.36
1837.2077640	2.13
1837.8272710	0.32
1840.1549070	0.73
1842.0285640	0.42
1843.0408940	2.08
1844.6711430	1.34
1846.8259280	0.24
1847.9221190	2.10
1851.9841310	0.15
1856.0135500	1.88
1859.0012210	0.53
1859.7528080	0.33
1877.8132320	0.52
1879.6514890	0.68
1880.3206790	0.17
1883.7316890	3.46
1888.8853760	1.14
1890.6597900	5.12
1891.3177490	0.39
1892.6219480	0.28
1893.7261960	0.21
1898.4696040	0.20
1900.7603760	1.55
1903.1671140	0.90
1904.2918700	0.28
1905.9056400	0.89
1906.9244380	2.89
1908.0445560	1.62
1909.4739990	0.67
1911.8381350	0.19
1912.6545410	0.29
1914.5275880	2.02
1915.7283940	1.36
1917.7326660	0.26
1930.2404790	3.46
1931.7686770	0.66
1932.7224120	0.33
1934.3333740	0.13
1935.0938720	0.11
1937.8132320	5.77
1940.5965580	0.46
1942.7194820	2.95
1944.8160400	4.42
1946.9649660	0.53
1947.7498780	1.05
1950.6505130	0.25
1955.0876460	0.33
1958.9981690	0.13
1960.1341550	3.50
1964.5987550	0.88
1965.5456540	1.76
1968.1375730	3.01
1969.0499270	0.42
1970.4266360	1.02
1972.3845210	2.10
1974.3643800	3.97
1976.1490480	0.22
1976.8493650	0.13
1977.6081540	4.74
1978.3443600	1.10
1978.9708250	1.25
1980.0838620	0.72
1982.8093260	0.23
1984.3675540	8.77
1986.0179440	0.42
1986.6911620	0.42
1987.8265380	0.15
1988.5329590	0.12
1989.1545410	0.54
1990.2891850	14.30
1992.4415280	1.43
1994.4621580	21.71
1995.3449710	0.21
1996.2952880	9.52
1997.0692140	0.26
1998.5372310	0.09
1999.6180420	5.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	409.1854
Annotation	Vernoflexuoside
Peak:m/z	Relative Intensity
117.9804916	0.11
132.1120453	0.07
141.9312134	0.11
142.9690857	0.03
144.0464935	0.24
145.9868164	2.48
159.0062103	0.08
169.7588501	0.03
188.0629425	22.77
205.0184021	100.00
206.7498016	0.04
221.0599976	0.05
264.2896729	0.27
323.3733215	0.03
334.2045288	0.03
346.4584351	0.08
374.3298340	0.23
391.1968384	0.27
392.2289429	1.43
410.3423767	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
134.2256165	0.08
157.0498199	0.06
164.3667603	0.08
171.7560577	0.09
180.2541809	0.19
191.1092224	0.09
209.9679413	0.04
214.2201385	0.04
217.3016052	0.05
218.1957855	0.10
220.1834412	1.46
221.6268921	0.10
224.7814026	0.11
262.9102478	0.20
264.1342773	8.51
265.2087097	0.77
266.1140747	0.40
275.0957336	0.07
281.9521484	0.11
290.0646362	0.47
291.0529175	0.52
302.2187195	0.12
311.2850037	0.11
318.1130676	0.11
331.0073853	0.15
345.1177368	0.09
349.2999573	0.05
367.4953308	0.06
383.1334534	100.00
384.0306702	0.77
385.1419678	17.27
385.9527893	0.24
392.9069519	0.05
398.3211975	0.04
400.2536316	3.15
401.0747986	8.21
411.2339478	0.15
412.5137024	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.107
Annotation	DIMBOA-Glc
Peak:m/z	Relative Intensity
118.9250946	1.01
122.8505096	0.49
136.0795746	4.19
147.1600952	0.49
149.8709869	0.06
164.9421997	11.77
182.0547791	100.00
212.2221680	0.11
226.2715454	0.24
227.1282349	0.08
245.0962524	1.16
261.2492981	0.06
287.1252441	0.13
338.2686768	0.12
355.0193481	0.08
356.3102112	0.42
357.1405945	0.17
365.3336182	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	817.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
243.9053345	0.05
281.3341064	0.20
282.3913574	0.05
325.5788574	0.41
326.2104797	0.58
327.3361816	0.05
338.0049133	0.03
340.4175415	0.10
353.1389771	0.06
411.0294189	0.04
412.9476318	0.07
423.4362793	0.04
472.6450806	0.05
534.6250000	0.08
538.7167358	0.12
552.6737671	0.06
558.4372559	0.10
594.0516968	0.36
604.7065430	0.09
605.6696167	0.24
615.5541992	0.15
623.4033203	0.24
630.0863647	0.17
633.7160034	0.09
634.6891479	0.13
642.2230835	0.42
651.5852661	0.58
652.6758423	0.11
653.3604736	0.16
699.0123901	1.05
699.7657471	0.85
702.2740479	0.20
705.6586914	0.03
723.8683472	0.28
731.6231079	0.09
734.0380249	0.05
736.3735962	39.37
737.0800171	1.02
738.0760498	0.59
739.4502563	0.35
741.2190552	0.62
742.8721924	0.03
760.4907837	0.44
764.6579590	42.60
765.7249146	1.28
766.7046509	0.13
767.8740845	0.38
769.9352417	0.47
772.0623779	0.05
773.9628906	0.12
778.6600952	2.75
780.1008301	1.26
781.6199341	0.11
784.8296509	0.32
786.5817871	0.07
789.0619507	0.12
792.2368164	0.34
793.9598389	0.17
798.7233887	0.22
801.3831177	0.26
803.5102539	0.07
805.0491943	0.08
818.7470093	0.12
822.6524658	0.08
825.9260864	0.09
846.3008423	0.04
847.4791260	0.17
867.7988892	0.05
868.8491821	0.10
872.8689575	2.80
873.5617065	0.57
874.7013550	0.06
875.4548950	0.04
876.7323608	0.73
879.5184326	0.11
881.2407837	0.16
892.1337280	0.15
894.8735352	0.18
895.6492920	0.13
905.7174683	1.44
906.5504761	0.86
909.7948608	0.14
912.8141479	0.16
930.1414185	0.15
932.9844360	0.95
933.7673950	0.13
948.8958130	1.76
949.7595825	0.21
954.0014038	0.05
957.9997559	0.11
960.4528198	0.19
962.6084595	0.08
963.3016968	0.20
970.0058594	0.20
974.7638550	0.22
975.7351074	0.42
976.8551636	0.10
980.8154297	2.78
981.4459839	100.00
982.6615601	0.52
983.4899902	0.15
985.1397095	0.34
986.1163940	0.24
991.3362427	0.07
992.3538208	0.03
994.2914429	0.07
997.9457397	0.07
1002.4130860	0.07
1003.8163450	0.15
1012.8078610	0.25
1013.6852420	0.43
1018.4868160	0.79
1019.1416020	44.76
1020.4609380	0.46
1021.4452510	0.04
1022.2165530	0.50
1024.2192380	0.12
1027.1822510	0.03
1028.6928710	0.09
1035.3300780	0.42
1039.7033690	0.09
1041.6044920	0.23
1043.3878170	0.14
1048.2126460	1.28
1050.6840820	0.15
1051.8843990	1.19
1052.6270750	0.33
1064.0393070	0.12
1066.9355470	0.24
1093.3151860	0.03
1116.3564450	0.03
1147.7282710	0.18
1160.5180660	0.04
1165.2698970	0.19
1169.2479250	0.02
1172.9489750	0.08
1173.6822510	0.08
1179.7611080	0.26
1180.4355470	0.21
1194.8830570	0.12
1255.0032960	0.16
1258.0412600	0.02
1265.7640380	0.16
1278.7600100	0.11
1284.6033940	0.03
1293.1257320	0.18
1314.4741210	0.23
1341.7901610	0.33
1343.7916260	0.03
1356.7316890	0.07
1398.5485840	0.13
1429.7917480	0.08
1469.1219480	0.04
1471.2578120	0.03
1476.9993900	0.11
1538.2449950	0.08
1564.1885990	0.04
1584.2677000	0.05
1585.0656740	0.11
1594.0826420	0.03
1626.6671140	0.06
1653.1239010	0.07
1669.1956790	0.02
1672.5554200	0.14
1682.5567630	0.04
1684.3034670	0.09
1695.9885250	0.06
1708.3665770	0.04
1713.0100100	0.09
1719.2526860	0.05
1736.4445800	0.03
1748.5299070	0.70
1750.1843260	0.07
1776.8226320	0.43
1794.6774900	0.04
1800.0461430	0.03
1806.9058840	0.06
1807.5599370	0.35
1808.3345950	0.03
1810.2341310	0.05
1817.2232670	0.12
1825.3913570	0.02
1829.8934330	0.06
1833.1883540	0.22
1834.5855710	0.05
1846.5646970	0.07
1849.8348390	0.04
1851.4222410	0.03
1852.0344240	0.62
1853.6110840	0.15
1857.3913570	0.11
1860.6334230	0.03
1862.6607670	0.12
1866.8504640	0.07
1867.7637940	0.03
1869.3775630	0.23
1871.7150880	0.03
1873.6550290	0.12
1874.2911380	0.16
1876.6734620	0.03
1877.8336180	1.10
1880.0784910	2.52
1880.8811040	0.03
1881.9143070	0.03
1883.5406490	0.21
1884.2561040	0.03
1885.6126710	0.04
1889.0374760	0.09
1893.5157470	0.07
1895.4812010	0.70
1896.6778560	0.11
1900.5051270	0.44
1902.9246830	0.03
1912.2821040	0.05
1912.8936770	0.02
1913.8543700	0.93
1915.9708250	0.19
1917.0665280	0.11
1920.2398680	0.58
1922.3240970	0.06
1923.2054440	0.12
1924.5412600	0.03
1925.5150150	0.05
1928.2879640	0.03
1934.2904050	0.26
1935.9954830	0.33
1937.2380370	0.55
1938.8104250	23.06
1945.3424070	0.29
1947.6885990	0.07
1949.4908450	0.25
1954.9537350	1.28
1956.6168210	0.06
1958.1090090	0.15
1959.1546630	6.95
1961.6260990	0.12
1962.3546140	0.14
1963.7873540	0.08
1965.5245360	0.93
1966.3441160	0.02
1969.4805910	0.23
1970.2147220	0.25
1971.3795170	0.43
1973.5750730	1.05
1974.3591310	0.33
1975.0130620	0.09
1975.9515380	0.06
1977.4245610	0.46
1978.2857670	0.25
1980.1820070	0.63
1981.6876220	0.54
1982.5516360	0.03
1984.5643310	0.22
1986.6511230	0.69
1987.7034910	0.04
1990.2830810	0.06
1991.8059080	0.09
1992.4337160	0.09
1993.5784910	1.63
1995.0183110	1.47
1996.6436770	1.48
1997.4932860	0.20
1998.2791750	0.07
1999.1824950	0.23
1999.9698490	0.18
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
212.7470398	1.01
296.5435791	7.25
298.6037598	2.91
381.0337524	6.40
381.6423340	2.36
382.9118652	3.31
428.8229980	1.71
464.2542725	12.60
464.8649902	10.73
466.7129517	28.01
471.9662476	4.45
488.8742676	3.02
498.6558228	3.60
540.1232300	1.35
544.4161377	1.92
548.5894165	7.86
549.9855957	8.32
550.7072144	100.00
558.3286743	2.81
573.9754028	1.69
587.7577515	1.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3228
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
184.0452576	24.07
195.1798401	0.20
202.4207458	0.12
239.8605499	0.82
258.4067078	0.19
274.2454834	0.25
282.7092285	0.07
335.2781982	0.54
337.3421631	0.48
341.3558350	0.10
344.3598022	0.40
356.7709961	0.17
371.3537598	0.14
395.1966553	0.32
399.6202393	0.19
412.6212158	0.17
441.5614014	0.50
463.4711304	0.50
468.3372192	1.20
471.5190430	0.24
482.9609985	0.69
500.3980103	100.00
501.1067505	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
90.9263916	0.10
94.93411255	0.59
96.82523346	0.89
98.97019196	0.43
105.1040649	0.10
107.030838	0.81
109.055603	1.18
110.0791779	0.11
110.7523727	0.62
112.9149704	0.23
118.778656	0.22
121.1588516	0.91
122.968399	1.65
125.0095673	1.17
127.05793	0.41
129.0603943	0.27
132.9481506	0.33
134.9835052	1.69
137.0298004	0.98
139.0247498	5.08
140.9779663	0.39
142.8975525	0.53
144.9740295	0.24
147.1676025	0.75
149.149231	0.70
151.0625	1.01
153.0556335	3.28
155.1011353	1.50
156.9222717	0.29
159.2761383	0.41
161.235199	0.54
163.2192993	0.16
164.9362793	1.05
167.296875	0.22
168.8179321	0.98
171.1818695	0.57
173.2716064	0.09
175.2160492	1.04
177.0942078	0.31
178.9381714	0.94
181.0500488	0.28
183.0525818	0.94
185.2428284	1.01
187.3076324	0.20
191.1902008	0.27
195.0054321	1.54
197.0566101	4.23
199.2242126	0.34
203.1313782	1.98
204.881073	0.26
207.2536621	0.92
209.3381042	0.83
211.0525513	1.81
213.2973633	0.90
215.4616089	0.19
217.2120667	0.76
219.2752686	0.61
221.1686401	6.51
223.2697754	0.69
225.3097839	2.12
227.0220642	0.56
229.2667847	0.54
233.3659973	1.33
235.3172302	0.57
237.2200012	6.57
239.0786133	19.47
241.4730225	0.13
243.1817627	1.54
248.1434021	0.11
251.1463928	1.25
253.1695557	0.96
255.25	2.42
256.952301	1.43
261.2449341	2.46
265.4677429	0.14
267.3677673	0.20
269.4071045	0.57
271.1141357	0.17
275.985321	0.15
277.9986572	0.55
279.2375183	100.00
280.1388855	0.29
281.1567383	0.10
296.6351318	0.43
297.3520508	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.07987976	0.11
92.77740479	0.48
99.12174988	0.12
107.9777069	6.58
108.9945221	9.08
113.0783997	0.48
117.2241135	0.13
118.7252502	0.12
120.9805298	1.98
122.1163177	0.35
122.991745	1.99
129.0866394	0.09
133.1127014	0.71
135.2030029	0.57
136.00383	0.56
137.1019287	0.12
147.1435242	0.35
151.2052612	6.18
151.9912109	35.89
153.011261	100.00
161.1414642	0.22
163.0050812	9.66
165.0045471	12.11
175.0727844	0.94
176.2632904	0.38
177.034668	1.00
179.0771484	3.68
181.0436707	3.62
183.17099	0.41
187.0643768	0.17
190.9403076	0.31
193.0884705	0.97
195.0291901	4.01
205.09198	0.35
207.0264282	3.83
217.0527039	0.11
219.057373	1.05
221.3227234	0.10
225.1493225	9.14
231.0577698	0.16
233.1064453	0.15
237.113678	0.37
243.29599	0.19
247.1967773	0.13
249.0534058	0.44
252.7850952	0.07
255.0671082	0.25
267.2579346	0.08
269.1556091	0.29
279.0890503	0.30
284.0946045	0.11
297.1496582	0.63
298.0490723	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
196.3359985	0.05
201.8109131	0.14
227.0532837	0.02
251.0509949	0.04
273.2486877	0.04
279.4361572	0.39
294.4037781	0.07
331.5717773	0.03
349.2518921	0.13
386.2838745	0.05
391.3262939	0.03
397.5133667	0.04
415.5921021	0.03
434.4310913	0.04
439.9290161	0.05
456.4074097	0.04
468.3299561	0.02
472.3516235	0.03
477.5735474	0.03
483.4288940	0.11
485.8114624	0.02
490.6132202	0.05
491.6730347	0.02
501.4976196	0.04
504.4159546	100.00
505.3841553	0.51
510.0355835	0.04
516.8078003	0.07
518.5408936	0.05
519.6912842	0.18
528.2132568	0.11
536.2069702	0.13
545.5551147	0.17
546.3194580	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	517.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
158.1134949	0.64
175.0696716	100.00
341.7333374	0.06
377.3589478	0.07
378.3312988	0.35
379.3070679	0.22
380.3547363	0.06
419.2311401	0.19
470.2296143	0.09
474.2526855	1.29
499.1633911	0.15
499.8165894	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2209
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
106.9890289	6.35
124.9042816	1.66
127.1224518	2.81
155.0366211	3.31
164.9217224	1.27
169.1633759	4.51
170.7986755	1.26
176.9940643	2.36
183.2017212	1.26
195.2117462	6.40
197.1011505	2.44
205.2911682	3.01
210.886261	4.17
212.9165955	2.06
219.1688538	10.07
225.3350525	3.03
227.4012146	4.76
233.1928406	7.81
235.3885498	5.62
248.8982544	3.17
251.157135	4.14
253.0427246	13.78
265.5273743	1.56
275.1463623	19.16
281.4917603	1.27
283.1843567	25.47
287.8227234	4.65
293.2029419	100.00
294.0379639	5.97
311.8985291	1.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	968.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
276.8536377	0.19
281.2076111	0.30
282.1925659	0.04
326.1838989	0.76
327.2905884	0.14
340.5637207	0.12
410.2867126	0.13
440.4553223	0.12
461.1641235	0.07
509.3755493	0.18
528.4632568	0.03
542.4934082	0.07
582.0528564	0.11
588.4270630	0.06
607.6081543	0.08
620.5800781	0.10
621.5297241	0.04
623.6854858	0.07
627.8379517	0.08
633.7373047	0.16
651.4246216	0.77
652.9531860	0.08
694.4102173	0.19
695.3392334	0.09
701.6428223	0.14
750.9762573	0.14
751.6587524	0.15
773.2601318	0.59
777.0172729	0.45
796.8085938	0.15
808.8811646	0.05
811.1651611	0.05
814.0350952	0.18
814.8756714	0.58
815.8442383	0.09
816.4497070	0.11
821.5474243	0.04
825.6084595	0.99
826.8634033	0.46
829.2550659	0.37
830.0789795	0.38
832.8767700	0.19
843.0924683	0.05
847.5727539	0.29
848.5822144	0.10
849.6381226	0.06
852.6034546	0.05
854.2056274	4.25
855.8134766	1.08
864.4788818	0.13
866.1926880	0.85
868.4434204	0.06
869.5609131	0.07
870.5525513	0.07
873.5645142	0.11
881.3599243	0.16
882.6209106	3.50
883.8919067	0.06
884.9102173	0.13
885.8535767	0.23
887.5320435	36.34
888.8339844	0.89
889.6466064	0.51
890.4962769	0.10
891.5405273	0.17
892.3698120	0.28
893.2538452	0.03
895.3898315	0.43
897.0778809	0.22
897.8899536	0.14
900.1002808	0.45
900.7835693	1.23
901.7028198	0.17
902.8728027	0.97
907.3159180	6.86
908.7200928	0.16
909.4964600	0.19
911.0900269	0.69
911.8990479	0.07
912.5911865	0.22
915.8428345	45.25
916.9190674	1.43
918.2850952	0.11
919.0764771	0.32
919.9537964	0.10
921.1612549	0.35
922.8997803	0.50
928.2943726	0.93
929.4153442	0.24
931.0076904	0.43
933.2320557	0.38
935.5597534	9.34
936.2938843	1.10
937.4979248	0.37
939.7982788	1.57
940.6242676	0.20
947.9636230	0.16
950.6533813	0.23
951.6343384	0.08
960.7557983	0.07
962.7443237	0.18
980.4282837	0.28
982.4177856	0.21
990.0404663	0.23
990.6427612	0.09
992.2092896	0.25
997.9226685	0.05
998.9685059	0.03
1000.2024540	0.27
1003.7634890	0.49
1005.3334960	0.09
1013.5073240	0.60
1014.6664430	0.21
1019.9650880	1.09
1020.6059570	0.85
1040.9897460	1.30
1041.6929930	0.30
1044.5786130	0.23
1046.1209720	0.10
1049.0910640	0.18
1051.9082030	0.20
1055.5490720	0.22
1057.5703120	0.24
1059.2746580	0.25
1060.4686280	0.18
1064.6276860	0.02
1067.5751950	0.44
1068.6357420	0.42
1070.5877690	0.30
1071.8477780	0.28
1074.3989260	5.86
1075.1396480	1.53
1076.0673830	0.08
1081.0686040	0.07
1084.5673830	1.45
1087.7347410	0.05
1095.2058110	0.38
1100.3728030	0.15
1101.0063480	6.86
1102.0743410	0.10
1105.6350100	0.35
1107.2213130	1.44
1107.9714360	0.39
1109.1444090	0.08
1112.4346920	0.25
1115.5993650	0.59
1121.8218990	0.33
1122.4689940	0.09
1123.5904540	0.44
1132.9262700	0.41
1134.9660640	0.06
1138.4462890	7.76
1139.6140140	0.40
1144.4816890	0.50
1145.2268070	0.36
1147.0830080	0.08
1150.2926030	2.07
1150.9953610	0.73
1154.9047850	9.85
1155.8790280	1.12
1159.4011230	0.22
1160.8767090	0.22
1162.0770260	0.33
1170.6477050	0.28
1172.8684080	0.70
1173.6169430	0.20
1176.3133540	2.25
1177.1733400	1.83
1179.5683590	0.34
1182.3728030	11.39
1183.0981450	100.00
1184.6552730	1.82
1186.0787350	0.43
1187.2434080	0.13
1187.8626710	0.05
1188.7583010	0.13
1191.5922850	0.08
1192.4195560	1.17
1193.2319340	0.22
1200.2917480	0.36
1202.0925290	0.14
1203.6169430	0.62
1209.3348390	22.25
1210.4060060	1.08
1211.3946530	0.87
1212.9628910	0.20
1214.0598140	1.85
1214.9288330	0.40
1215.8135990	0.27
1220.2946780	16.72
1220.9637450	38.49
1222.1970210	0.38
1223.9925540	0.05
1227.1503910	1.03
1228.3947750	0.09
1237.2617190	0.14
1240.3020020	0.12
1246.6213380	1.23
1247.2944340	2.90
1247.9273680	0.04
1250.9932860	0.14
1253.8571780	1.06
1262.1176760	0.12
1269.7786870	0.25
1278.1865230	0.74
1279.1007080	0.36
1285.4385990	0.06
1287.1431880	0.26
1291.5860600	0.09
1292.7613530	0.07
1298.2290040	0.06
1300.6842040	0.21
1301.4291990	0.10
1327.7940670	0.23
1332.3367920	0.35
1341.9632570	0.24
1342.7091060	0.20
1350.0777590	1.36
1351.1710210	0.56
1355.7750240	0.15
1399.1181640	0.09
1399.7246090	0.19
1406.5499270	0.53
1410.9642330	0.10
1423.5301510	0.08
1431.5534670	0.26
1453.5650630	0.06
1460.5601810	0.03
1462.9571530	0.05
1470.3771970	0.21
1472.3111570	0.19
1488.3448490	0.13
1498.2189940	0.15
1505.8295900	0.12
1510.3372800	0.14
1530.0850830	0.08
1539.9788820	0.32
1545.3916020	0.44
1556.1121830	0.06
1569.0025630	0.45
1569.7471920	0.61
1576.9239500	0.17
1595.2161870	0.06
1600.8281250	0.25
1612.0030520	0.20
1617.1224370	0.08
1625.4798580	0.18
1633.0837400	0.45
1650.4315190	0.26
1651.1224370	0.79
1654.2850340	0.03
1665.2779540	0.04
1692.3874510	0.06
1698.8806150	0.11
1719.8489990	0.05
1725.2335210	0.05
1727.5035400	0.05
1736.7515870	0.03
1746.3181150	0.06
1760.3021240	0.07
1772.1754150	0.04
1774.2454830	0.22
1790.6492920	0.69
1792.2312010	0.07
1794.1700440	0.06
1818.6008300	0.03
1824.9759520	0.08
1831.2961430	0.15
1834.6071780	0.40
1838.3917240	0.15
1841.1818850	0.21
1846.3323970	0.06
1850.2137450	0.04
1853.8319090	0.06
1875.0848390	0.03
1877.8831790	0.07
1879.3475340	0.08
1888.6746830	0.07
1890.1662600	0.09
1892.2296140	0.09
1898.1065670	0.37
1900.7857670	0.10
1904.8399660	0.18
1905.6638180	0.21
1907.4328610	0.05
1913.8277590	0.24
1922.7161870	1.31
1924.5079350	0.53
1925.5471190	1.04
1926.2526860	0.03
1929.4857180	0.16
1932.0562740	0.80
1933.6492920	0.14
1936.2620850	0.15
1937.2781980	2.75
1938.4737550	0.43
1941.2447510	0.04
1944.0689700	0.91
1946.2584230	0.29
1947.0965580	0.37
1949.3127440	0.14
1950.4377440	0.14
1951.7261960	0.17
1952.9906010	9.49
1953.6051030	0.13
1954.7106930	0.07
1959.4909670	0.45
1960.4310300	1.04
1962.3175050	0.04
1964.1472170	81.25
1964.9827880	1.17
1966.3768310	1.42
1967.9862060	0.22
1968.7484130	0.70
1970.1535640	1.45
1972.0095210	0.41
1972.8306880	0.74
1974.0065920	1.98
1975.0397950	0.03
1976.4489750	0.81
1977.7908940	0.43
1979.3402100	0.50
1981.0290530	0.64
1983.7766110	0.23
1986.7102050	7.31
1989.2918700	4.32
1990.2165530	11.66
1991.7375490	0.05
1992.5383300	0.22
1993.3508300	0.93
1994.2429200	0.57
1995.4317630	0.07
1997.0059810	3.32
1998.8653560	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	548.92
Annotation	Unknow
Peak:m/z	Relative Intensity
252.0671234	0.09
267.2715454	0.07
291.0224609	0.05
294.4520874	0.22
296.7709045	0.85
298.5086060	0.32
304.4704590	0.07
309.3101196	0.17
310.3657227	0.24
374.3256836	0.40
375.0050049	0.10
376.2059937	0.05
380.7360229	17.71
387.1567993	0.11
389.2491455	0.11
403.3742676	0.42
443.7467651	0.12
462.6530762	1.36
464.6625977	100.00
465.5529175	0.13
502.2013550	0.12
502.9685059	0.67
528.1207886	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
108.9724274	0.03
110.9679108	0.02
127.0810242	0.01
135.096344	0.57
143.1149597	0.01
145.1761932	0.02
152.2165833	0.03
155.0660858	0.03
155.9586792	0.01
161.0127869	0.39
171.1868286	0.03
173.0651855	0.51
179.0366974	4.19
191.0378723	100.00
191.9128723	0.03
202.0955811	0.02
203.1426086	0.02
214.9718323	0.01
217.1688538	0.01
219.2175598	0.02
220.1897888	0.01
237.3374634	0.02
240.1817932	0.02
241.1445923	0.02
255.2365417	0.06
257.1275635	0.02
259.6210022	0.02
261.0437012	0.01
265.1068726	0.04
273.2707214	0.05
276.9567871	0.02
280.9942017	0.01
285.4525146	0.01
288.4529419	0.01
291.295166	0.06
292.5414734	0.03
293.1818542	0.01
307.1720581	0.07
309.2602539	0.12
316.2979736	0.08
323.4191895	0.01
332.062561	0.02
334.1890564	0.02
335.2528381	0.09
353.3601685	0.05
355.112793	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	780.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
343.6965942	0.13
366.9406128	0.11
494.2258301	0.09
615.0520630	0.12
651.2609253	0.05
671.9658813	0.08
706.3727417	0.53
725.5386963	0.58
735.2813721	0.30
737.0217285	0.42
740.7283325	1.40
743.7778931	14.41
745.5899658	0.05
751.5118408	0.47
752.1992798	0.04
752.9122314	0.09
753.6940308	0.59
757.1325073	1.58
760.4144897	3.07
761.5734253	0.35
762.6912231	0.80
765.7287598	1.77
766.3289185	1.90
766.9447632	0.45
813.7341919	0.29
856.3904419	0.50
867.3154297	0.32
868.6836548	0.84
870.0571899	0.44
877.2147827	1.09
877.8835449	0.11
878.9998169	0.36
881.8434448	0.07
885.8549805	1.64
886.6682739	0.85
888.6515503	0.17
902.4021606	0.08
904.0960083	2.19
904.9443970	0.04
905.5559692	0.67
907.3627319	0.03
910.6201172	8.96
911.4592285	0.58
912.8435059	0.32
914.0490112	0.22
916.6902466	0.35
918.2709351	0.19
920.8674927	1.58
921.9612427	1.87
922.8895874	1.60
925.1505737	8.13
926.0162964	0.27
928.2820435	1.18
928.8947144	2.31
929.5322876	100.00
930.7329102	1.18
931.3993530	0.08
932.8207397	4.39
934.6943359	0.45
935.3142700	0.35
939.7180176	1.13
940.3911743	0.08
943.1945190	0.08
943.8875122	0.26
947.8193359	0.40
952.7143555	0.40
953.4310913	0.69
957.3081055	4.09
958.1655884	3.80
958.9306641	0.74
959.9150391	0.10
963.3767090	0.07
969.6608887	0.13
1052.2292480	0.25
1071.3588870	0.14
1078.0700680	0.46
1088.7728270	0.12
1093.9876710	0.11
1137.4481200	0.27
1156.3651120	0.33
1165.4707030	0.19
1167.5999760	0.06
1168.3813480	0.19
1169.5468750	0.38
1181.0454100	0.06
1181.7497560	0.32
1206.0555420	0.51
1208.8217770	0.14
1210.6936040	0.03
1213.7512210	0.38
1228.3637700	0.30
1237.2086180	0.53
1243.0516360	0.90
1252.7922360	0.39
1291.1755370	0.17
1296.0506590	0.10
1326.8676760	0.30
1333.0458980	0.19
1349.7462160	0.16
1379.9064940	0.05
1406.7540280	0.08
1460.6934810	0.08
1628.8293460	0.05
1649.0765380	0.43
1650.2681880	0.42
1659.2932130	0.08
1681.6136470	0.06
1685.8009030	0.06
1721.3404540	0.04
1730.4666750	0.26
1731.8023680	0.04
1750.9383540	0.07
1753.6813960	0.42
1757.0061040	0.90
1765.4157710	0.06
1783.4429930	0.05
1804.6920170	0.03
1807.3420410	0.11
1814.5941160	0.03
1819.9602050	0.11
1821.2463380	1.63
1823.0755620	0.07
1828.4195560	0.07
1830.8673100	0.10
1831.5904540	0.14
1835.7457280	0.07
1840.1832280	0.05
1851.8195800	1.09
1855.8250730	0.10
1861.3648680	0.20
1865.1265870	0.41
1868.9802250	2.13
1876.6905520	0.08
1880.4073490	0.66
1882.6221920	0.06
1886.8153080	0.79
1888.5938720	0.04
1889.7648930	0.13
1890.3780520	0.05
1891.1057130	0.13
1892.7625730	0.24
1896.9276120	0.75
1897.7225340	0.28
1902.9421390	0.55
1904.5401610	0.13
1910.9310300	0.04
1915.6037600	0.89
1916.6405030	0.14
1918.4261470	0.11
1919.0538330	0.05
1921.6226810	0.22
1922.6129150	0.13
1926.1634520	0.17
1927.1501460	0.05
1928.1961670	0.45
1929.8829350	0.06
1931.9849850	0.20
1935.5308840	0.17
1936.1917720	0.04
1938.4411620	0.18
1941.0084230	0.52
1943.7434080	0.20
1944.5563960	0.08
1945.4122310	0.13
1947.0231930	0.11
1948.1468510	0.03
1949.0031740	0.05
1950.4558110	0.23
1952.1989750	0.06
1955.2020260	0.26
1956.5870360	0.13
1959.3645020	0.49
1963.1604000	0.12
1964.4689940	0.08
1967.2302250	0.06
1969.6448970	4.22
1970.8204350	0.15
1971.5031740	0.12
1978.1021730	0.14
1979.6903080	0.43
1981.2623290	0.36
1982.0084230	0.14
1983.2800290	0.11
1984.2214360	0.59
1985.3668210	0.13
1987.1934810	0.72
1989.0347900	0.48
1990.3225100	0.08
1991.3765870	0.79
1992.7521970	0.25
1995.1927490	0.11
1997.0506590	4.83
1997.7633060	0.16
1998.5943600	1.94
1999.1944580	1.85
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
72.5909576	0.09
84.8691788	0.22
86.9398346	1.66
101.0626526	0.03
110.8974915	100.00
111.6737976	0.01
129.0122986	3.29
129.9562378	0.10
130.9432373	1.30
147.1111450	0.03
154.9780121	0.42
172.9035034	23.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
113.1925354	0.01
127.1132812	0.12
134.2635498	0.01
135.1205139	0.66
136.723175	0.02
143.1546631	0.07
152.9010925	0.02
155.0283508	0.08
161.0807495	0.40
171.5059509	0.03
173.0673523	0.51
179.1048126	4.35
191.0282288	100.00
215.0093079	0.03
216.2686462	0.05
217.0675354	0.02
309.1530151	0.05
323.4949341	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0966
Annotation	(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Peak:m/z	Relative Intensity
132.0474396	0.05
147.0823517	0.04
155.0879974	0.02
158.9971466	0.21
160.8334961	0.02
169.0510559	0.03
179.3842163	0.03
188.0618286	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
196.0635986	0.02
197.0245667	0.22
198.0222931	0.03
213.0704956	0.13
214.1799164	0.03
215.3836212	0.03
230.8899384	0.10
241.9740448	0.06
245.5333405	0.05
259.1172485	1.86
260.1857300	0.27
261.1769714	1.49
275.1099243	0.18
282.1508789	0.15
291.4081726	0.03
300.1195068	0.05
313.3874512	0.11
315.2442627	43.74
315.8478394	0.15
332.2810059	0.08
333.3779297	0.07
334.4262695	0.14
345.2692261	0.31
347.3127441	0.06
348.6769409	0.10
359.3339233	1.23
360.3964844	1.84
361.3574219	6.87
362.5359497	0.07
375.2664185	0.62
391.1803589	0.89
392.4857178	0.31
393.2938232	0.13
415.1136475	0.22
433.0690918	0.04
459.1107788	0.05
461.2506104	100.00
479.1597290	0.28
543.5804443	0.10
545.5971069	0.09
559.3823853	0.05
561.2249146	0.86
588.4262085	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
161.7237244	0.10
245.3063965	0.06
267.1312256	0.08
269.8439941	0.06
286.7431335	0.03
291.1546021	0.15
303.7521973	0.13
304.3549194	0.20
308.1990967	0.11
310.0829468	0.27
324.2955322	0.11
330.1426392	0.05
332.0786438	0.73
343.8850708	0.07
348.0912476	2.39
376.0427856	0.32
394.0374451	100.00
395.5716553	0.04
402.2253418	0.23
408.4170227	0.08
419.3469543	1.39
420.1007996	3.06
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
178.9983673	0.41
226.8304596	0.09
241.0020142	0.12
257.9172974	0.76
259.1464844	8.60
277.1947632	0.10
323.1580200	5.27
331.2906494	0.19
339.9376221	0.11
340.9400024	0.68
341.5461426	0.11
383.1508789	0.87
403.2296143	1.03
412.8991699	0.22
413.5592041	0.11
421.2325439	6.74
439.2666626	1.74
467.9726562	0.28
471.1686401	0.15
488.8555908	0.33
503.2633667	100.00
503.9276123	0.17
518.1217041	0.06
540.3953247	0.15
583.3402100	15.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
111.1439819	0.04
127.0069351	0.06
132.9336243	0.03
135.0657654	0.69
144.7650452	0.02
154.8755035	0.02
161.1215668	0.45
173.0836945	0.83
179.1494904	4.01
180.0527191	0.02
183.1028442	0.01
191.0344543	100.00
191.9844055	0.02
208.97966	0.02
237.3946228	0.02
242.5030823	0.03
254.5245056	0.02
257.1980591	0.01
261.1200562	0.03
262.8973999	0.01
272.9842529	0.03
280.0204773	0.06
291.2518311	0.03
293.0293274	0.04
306.9638062	0.22
308.180481	0.08
309.0609436	0.12
310.0548706	0.01
315.2264404	0.03
317.1239624	0.07
322.5493164	0.03
325.3745728	0.02
334.2910461	0.01
335.14151	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	863.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
251.4334717	0.12
255.4310913	0.13
257.2102661	0.23
261.2635193	0.09
263.1116028	0.28
281.2234497	0.06
283.2077637	0.06
286.9423218	0.12
305.5419922	0.11
306.1749268	0.10
323.3040161	1.00
324.5487061	0.05
325.3553467	0.07
329.0905762	0.05
341.1988831	0.57
342.3576660	0.13
343.3462830	0.36
357.5633545	0.06
359.2459106	2.44
360.4057617	0.52
373.3651733	0.13
377.3827515	11.21
378.3686523	2.45
392.2302856	0.05
397.2093506	0.51
398.1045532	0.10
400.9277344	0.05
401.5758057	0.36
419.2851562	0.25
425.2736206	0.21
461.2809448	0.16
491.2416382	0.05
503.4745483	1.12
504.6885986	0.04
513.3505249	0.06
521.4232178	18.37
522.5170898	4.39
526.2180786	0.05
539.4294434	100.00
540.5358276	20.92
541.4542847	0.03
545.4398804	0.20
563.4634399	0.65
564.2541504	0.14
581.4738159	1.01
582.2984619	0.20
591.3882446	0.14
593.6216431	0.04
623.6600342	0.16
648.5499878	0.34
658.8109741	0.05
665.5032959	1.53
666.5859375	0.23
683.4877319	25.24
684.5077515	7.21
685.6595459	0.06
697.7329102	0.17
701.4852905	48.19
702.4960327	14.59
715.5295410	0.09
725.5800171	0.48
743.3442993	0.11
744.3540039	0.17
755.4734497	0.11
783.8259277	0.22
785.4281616	0.15
799.5413208	0.09
809.5462036	0.13
820.5269775	0.11
827.5270386	1.76
845.5121460	53.04
846.5848999	17.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1380.8708
Annotation	Unknow
Peak:m/z	Relative Intensity
490.3438416	0.83
558.7640991	0.10
560.6152344	0.59
576.3190918	0.12
585.5941162	0.14
586.6307373	0.13
587.4688721	0.10
598.6355591	0.24
616.3381958	0.34
629.2628174	0.18
632.5450439	0.12
633.5793457	0.16
639.2750244	0.33
644.4399414	0.09
652.0093994	0.17
658.0517578	0.46
660.4053955	8.02
661.5106201	1.69
676.5011597	0.37
684.3150635	0.20
690.3542480	0.29
691.5709229	0.11
695.1292725	0.13
697.8945312	0.25
713.4736328	0.37
714.7049561	0.16
719.5350342	0.79
729.6151123	0.26
730.3414917	0.40
737.3287964	0.33
745.4710693	0.43
746.3691406	0.31
747.1532593	0.48
749.2978516	0.57
752.1607666	0.34
760.5476074	0.29
761.2612305	0.12
769.2814331	0.33
798.6102295	0.09
800.1241455	2.07
803.4805908	0.14
804.9416504	0.55
809.1165771	0.20
817.4024658	1.83
818.2084961	1.93
819.0391235	0.22
825.3128662	0.17
826.4697266	0.90
827.1276855	0.47
828.7067261	0.28
832.9863281	2.74
833.9637451	3.60
835.0419312	0.40
839.2180786	0.31
840.8385620	0.18
842.0136719	0.92
843.7103271	0.50
844.5977173	1.18
846.6437988	0.29
849.2333984	0.31
854.5740967	0.28
856.4401855	0.14
858.8101807	0.71
875.5697021	0.41
878.4548340	0.18
883.5596924	0.28
890.9356689	0.26
896.6662598	0.24
909.6983643	0.17
914.4365234	0.51
920.1700439	0.61
927.4691162	0.39
933.8238525	1.85
940.5756836	0.56
946.7982178	0.13
951.2812500	0.14
952.9727783	1.99
953.6750488	0.27
959.7796631	0.10
962.5592041	0.25
964.6638184	0.19
965.5361328	0.31
973.5964355	0.64
975.6691895	0.41
981.5708008	1.35
982.6788330	1.07
986.4713135	0.19
994.8770752	0.36
1001.6015620	0.40
1006.5415040	0.08
1007.6086430	0.31
1008.9337160	0.35
1013.5516360	1.05
1015.3781740	2.38
1016.3372800	0.45
1017.4239500	0.28
1027.0050050	0.84
1030.6105960	0.76
1032.1678470	0.21
1034.0772710	0.86
1037.1833500	0.17
1040.7575680	0.39
1044.2196040	0.27
1044.8577880	0.29
1045.4816890	0.36
1047.4099120	2.26
1048.3967290	0.38
1049.3420410	0.67
1052.5192870	0.21
1062.5649410	0.15
1064.6677250	0.14
1068.7099610	1.71
1069.7237550	0.43
1071.7033690	0.40
1081.4899900	0.20
1084.8693850	0.42
1085.6528320	0.17
1089.1174320	0.97
1096.8100590	0.30
1099.6601560	0.27
1102.5423580	5.59
1103.3662110	0.69
1104.3085940	1.87
1104.9238280	1.28
1106.7319340	0.49
1117.6912840	1.31
1119.0872800	0.53
1124.9189450	0.55
1126.4787600	0.87
1127.4035640	0.31
1128.8333740	0.18
1131.2185060	0.14
1132.2536620	0.96
1133.4113770	1.45
1134.4392090	1.65
1135.5463870	3.29
1136.2685550	0.30
1139.4538570	0.42
1140.1296390	0.14
1141.1043700	0.36
1143.0859380	0.45
1145.8215330	0.80
1146.4897460	0.39
1147.2568360	0.89
1148.5120850	0.92
1149.2132570	2.21
1150.5463870	1.14
1154.2456050	1.48
1154.9720460	0.34
1155.6110840	0.31
1156.5489500	0.78
1157.2321780	2.11
1158.6004640	1.42
1159.4344480	0.70
1161.0562740	0.67
1161.6569820	0.70
1164.7218020	0.30
1166.4500730	2.29
1167.5571290	0.57
1169.4995120	1.01
1170.4296880	2.40
1171.4638670	1.62
1172.1947020	0.95
1173.1574710	1.91
1173.7680660	0.18
1175.1040040	0.39
1177.5686040	0.19
1179.3686520	0.92
1180.1457520	0.36
1181.4826660	0.80
1182.6257320	0.41
1183.7895510	0.83
1185.5461430	0.69
1186.5517580	0.84
1187.6291500	3.15
1188.5662840	0.90
1189.7921140	1.01
1191.5545650	0.64
1192.5935060	0.11
1193.4655760	0.27
1196.0389400	0.14
1197.2923580	0.82
1198.4635010	1.24
1199.5023190	0.28
1201.1000980	0.67
1202.9263920	1.88
1203.9162600	5.32
1204.9327390	2.28
1205.7357180	0.77
1206.6367190	0.56
1207.6342770	0.77
1208.6827390	1.00
1209.5565190	0.26
1210.2094730	1.61
1211.0784910	0.78
1212.2751460	0.49
1213.0524900	0.08
1214.1622310	0.44
1215.7680660	0.27
1216.7675780	0.96
1217.5430910	0.80
1220.6608890	1.67
1222.5090330	2.78
1225.1370850	0.85
1225.9992680	0.57
1227.0708010	1.54
1228.4174800	0.95
1232.1794430	0.76
1234.6776120	0.14
1237.4669190	2.39
1238.1086430	0.57
1239.6943360	0.55
1241.9887700	0.64
1243.7568360	0.81
1244.7275390	0.41
1246.2437740	1.84
1251.6960450	0.21
1252.6166990	0.56
1253.9735110	0.84
1257.3128660	0.68
1258.1208500	0.43
1259.9357910	0.11
1260.7318120	0.65
1263.1257320	0.51
1264.0844730	0.58
1268.3415530	0.45
1269.9338380	0.36
1275.4970700	0.99
1278.1611330	0.25
1281.9821780	1.44
1283.3696290	2.16
1284.0885010	0.30
1285.8593750	0.25
1291.8292240	0.58
1297.2269290	0.15
1299.5551760	1.48
1300.2943120	0.61
1301.1535640	0.69
1302.5885010	0.82
1303.5419920	0.96
1307.5866700	0.37
1309.0836180	0.32
1309.9387210	1.02
1311.7692870	3.41
1312.5251460	2.53
1313.3215330	0.85
1314.4400630	1.01
1316.1190190	2.45
1317.0158690	3.70
1317.9853520	2.58
1318.6311040	1.41
1319.3864750	1.42
1320.8377690	3.90
1321.5208740	2.03
1322.7320560	3.46
1324.1859130	2.43
1324.8347170	2.93
1326.0097660	6.14
1326.7758790	7.18
1327.8820800	9.44
1328.8348390	9.25
1329.6672360	3.71
1330.6142580	1.70
1331.6147460	11.83
1332.7374270	6.75
1334.3457030	17.02
1335.4221190	4.16
1336.3139650	5.45
1337.4638670	15.08
1338.3122560	17.07
1339.2840580	7.23
1340.1827390	2.82
1341.3696290	3.78
1342.6343990	16.82
1343.4709470	16.80
1344.4543460	12.08
1345.6296390	30.15
1346.5050050	3.41
1347.9239500	21.00
1349.0522460	61.30
1349.7845460	27.48
1350.6915280	7.61
1352.4990230	6.78
1353.3825680	15.45
1354.2717290	8.21
1355.2415770	23.17
1356.0242920	34.48
1356.9843750	3.76
1358.4713130	13.87
1359.3239750	51.15
1360.2878420	100.00
1361.0634770	27.31
1361.8825680	10.06
1362.8925780	0.93
1364.4151610	13.74
1365.1558840	5.33
1366.1380620	0.74
1367.0178220	16.18
1367.7330320	3.33
1369.6926270	0.16
1388.6113280	0.26
1392.1441650	0.59
1392.9722900	0.73
1394.3137210	0.46
1394.9482420	0.30
1399.7978520	0.93
1407.5933840	0.52
1409.4776610	0.26
1410.2301030	0.11
1416.5972900	0.87
1421.0710450	0.29
1424.0257570	0.15
1425.4855960	0.16
1432.3574220	0.61
1434.7196040	1.15
1436.3822020	0.72
1437.5308840	0.84
1442.2526860	0.96
1446.6805420	0.12
1447.8288570	1.60
1449.0693360	0.49
1449.8975830	1.02
1451.6325680	0.29
1453.1604000	0.56
1453.8651120	2.36
1457.0588380	0.45
1458.5218510	0.65
1462.1256100	0.66
1463.8088380	2.32
1465.7626950	0.52
1467.2843020	1.79
1469.0184330	0.79
1469.6951900	2.20
1471.0325930	0.55
1471.9097900	2.40
1472.9149170	1.59
1475.3270260	0.31
1476.8482670	0.35
1478.4371340	0.38
1479.7523190	1.74
1480.4077150	2.39
1481.2958980	1.29
1482.0903320	1.28
1485.9044190	0.68
1487.4235840	1.54
1488.2943120	2.49
1489.3563230	2.02
1493.0855710	0.98
1493.7791750	0.55
1494.7464600	1.67
1496.0877690	1.55
1496.7172850	0.36
1497.6987300	3.47
1499.0113530	0.83
1503.8613280	0.40
1505.1739500	1.96
1506.0697020	0.25
1510.4949950	0.40
1512.6953120	0.81
1517.6735840	0.97
1520.1129150	0.80
1521.0712890	0.73
1522.4501950	0.68
1523.6672360	0.15
1525.5628660	0.41
1528.7893070	0.12
1529.7593990	0.19
1534.1964110	0.82
1535.6551510	0.23
1537.5581050	0.76
1539.0560300	0.42
1541.0556640	0.68
1546.6878660	0.45
1550.9291990	0.36
1553.7020260	0.12
1554.4527590	0.43
1559.0863040	1.00
1560.1812740	2.86
1561.6737060	0.74
1563.2054440	0.32
1566.7368160	0.70
1567.9302980	0.88
1570.0894780	0.13
1571.1153560	0.70
1574.8869630	0.42
1577.8897710	0.14
1582.0040280	0.22
1584.4090580	0.25
1585.7550050	0.89
1587.7037350	0.16
1590.9412840	0.39
1591.7783200	0.23
1595.9127200	0.26
1596.6073000	1.00
1598.4698490	0.40
1600.9281010	0.37
1601.8796390	1.61
1602.9121090	1.02
1603.8143310	0.55
1605.8220210	0.28
1609.9114990	0.36
1610.6087650	0.53
1613.8343510	0.17
1619.2680660	0.15
1621.0998540	0.28
1623.8581540	1.64
1624.6145020	0.32
1625.9698490	0.91
1626.6239010	0.34
1628.1665040	0.35
1629.1088870	1.18
1630.0396730	1.92
1631.2081300	1.64
1632.6875000	1.34
1634.3902590	1.01
1635.5870360	2.93
1636.5020750	0.54
1637.7039790	0.39
1641.6131590	0.85
1642.9693600	0.11
1644.1657710	1.69
1645.8800050	0.44
1648.4216310	1.69
1649.2159420	0.18
1649.9321290	0.12
1650.7983400	0.52
1652.1556400	0.59
1655.4008790	0.34
1659.5683590	0.49
1661.2580570	1.82
1661.8697510	2.46
1662.6898190	0.41
1663.6395260	1.19
1664.6313480	0.13
1665.8748780	0.74
1666.9471440	9.72
1667.8367920	7.70
1668.8996580	3.99
1669.7413330	1.71
1670.7836910	2.03
1671.9399410	0.74
1673.5733640	1.27
1675.9998780	0.18
1676.9405520	1.68
1679.3656010	1.38
1683.2451170	1.94
1686.9329830	1.70
1688.2188720	0.51
1690.4515380	0.75
1691.1888430	1.50
1692.3389890	4.41
1693.5609130	5.97
1694.4631350	0.21
1696.1253660	0.85
1698.5661620	2.64
1699.9482420	2.11
1700.7135010	3.05
1701.6856690	0.33
1703.6427000	0.97
1704.2784420	0.32
1706.8731690	0.42
1708.5271000	2.22
1709.8636470	10.37
1711.2642820	2.33
1716.7955320	1.71
1717.4237060	0.24
1718.8726810	0.16
1721.0382080	0.59
1725.1972660	5.61
1726.2181400	0.22
1730.7058110	1.32
1732.6198730	0.35
1733.4647220	0.39
1738.2032470	0.55
1742.0187990	0.99
1742.7829590	1.58
1743.7531740	0.20
1745.7891850	0.98
1748.6950680	0.90
1749.5528560	0.24
1751.2376710	0.33
1755.2755130	0.40
1760.4134520	0.10
1763.4329830	1.12
1764.9562990	0.95
1769.1721190	0.10
1771.5432130	0.28
1773.8195800	0.52
1775.4320070	0.53
1779.8658450	0.43
1780.7491460	0.83
1782.2098390	0.23
1783.0252690	0.47
1784.9378660	0.23
1799.8988040	0.84
1810.2684330	0.47
1814.6358640	0.61
1822.3176270	2.15
1825.5145260	0.44
1829.0061040	0.81
1833.9652100	0.76
1838.6031490	2.70
1839.3273930	0.94
1847.0578610	0.38
1855.4818120	1.31
1856.2388920	3.11
1860.3162840	0.35
1864.0959470	0.31
1871.5426030	0.26
1887.8791500	1.05
1891.9410400	0.13
1923.3864750	0.51
1925.0368650	0.18
1936.1053470	0.37
1936.9820560	0.33
1950.9304200	0.33
1954.6662600	0.53
1959.5775150	0.50
1971.1739500	0.18
1972.1340330	0.14
1982.9595950	0.11
1988.9729000	0.16
1991.9500730	0.28
1992.8433840	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	282.2787
Annotation	Oleamide
Peak:m/z	Relative Intensity
81.0287323	1.28
82.98686218	0.60
85.03321075	0.15
86.04261017	0.04
90.9704895	0.17
93.01550293	0.61
95.04962158	2.28
97.02923584	1.39
99.14936829	0.06
99.92326355	0.51
100.7579041	0.17
107.0202637	1.06
109.021843	2.36
111.1072083	2.41
113.1285706	0.13
114.0242004	1.46
114.9990311	0.08
121.0411987	2.72
123.0563965	2.00
124.139267	0.09
125.0268784	2.10
127.0694962	0.16
128.151825	2.54
129.0110168	0.25
135.0897522	4.22
137.0834045	2.19
139.1445312	1.48
141.1119843	0.33
142.0494385	2.40
143.2106934	0.26
147.1773987	0.07
149.1112671	5.88
151.0671387	3.03
152.2513428	0.10
153.0909271	2.09
155.0268555	0.49
156.1779175	1.91
161.2446594	0.05
163.1538696	4.35
165.1095581	3.94
167.1256409	2.27
168.0680847	0.17
169.179306	0.23
170.1963043	3.24
171.0744324	0.03
176.5480804	0.11
177.1776733	4.25
179.1388397	0.62
181.0932617	2.37
183.1139069	0.24
184.2081604	3.01
191.262146	3.64
193.2340698	0.34
195.116333	1.44
198.2368469	4.34
200.0633545	0.12
205.2629395	1.30
207.1515808	0.40
209.1760864	0.97
210.1371155	0.34
212.2684326	3.16
219.119751	0.13
220.8983765	0.02
223.2271423	0.75
224.2839355	0.25
226.2554932	3.66
240.3200684	1.62
245.52771	0.14
247.2510681	83.11
248.0968628	0.05
251.2958679	0.29
265.2613525	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.1298
Annotation	6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
179.0198059	0.04
270.9995117	0.06
301.1346436	4.84
308.1801758	0.06
360.3928223	0.09
367.1815186	0.03
414.8939819	0.05
417.4168701	0.17
445.3865356	0.15
463.1569824	100.00
463.8383179	0.10
490.9004517	0.18
505.2234497	40.55
505.9348145	0.25
522.2734985	0.12
523.2221680	0.09
545.3048706	16.55
547.2932739	0.40
560.2303467	0.03
561.2968140	0.50
563.4409790	0.08
564.6380615	0.07
566.7293091	0.03
570.2866821	0.05
571.0381470	0.13
587.8298950	0.06
588.6809692	0.22
589.4996948	0.22
607.6447754	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	322.08
Annotation	Beta-Citryl-L-glutamic acid
Peak:m/z	Relative Intensity
101.9402008	1.55
130.0420227	100.00
142.0499420	2.17
176.0377502	2.07
193.2253571	7.84
209.3911133	0.84
249.2050171	1.03
260.0353088	1.59
277.8764038	10.77
281.0404968	2.05
284.9481201	0.51
286.8964844	1.90
290.2279663	10.70
303.2785645	6.89
304.2804260	5.90
305.3414917	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
98.9210968	2.28
101.0718155	10.62
112.8913345	8.30
114.7903748	2.07
117.018631	0.32
119.0535736	51.16
124.9591141	0.83
127.9878311	0.48
128.7783203	0.32
133.1218567	2.28
140.8980408	0.46
143.0629272	3.61
153.0049133	1.38
159.0005188	5.11
161.0567474	37.37
163.0498962	100.00
164.1879578	0.35
165.0830536	0.27
171.0218506	0.68
181.1934967	0.48
183.2357025	1.47
184.2372437	0.41
187.0738831	0.72
193.2462921	0.19
197.0747986	0.43
205.8631287	0.30
209.1654053	2.04
221.0393982	0.66
223.2019043	0.76
224.2445374	0.56
231.1160889	0.40
237.3189392	2.14
240.1184692	0.64
243.9157715	0.32
245.1056213	0.71
249.1500549	0.68
251.0158997	0.89
260.9655151	1.36
262.16745	0.51
263.3147583	3.89
265.1397095	1.52
270.0005493	0.41
279.0115662	4.60
280.9384766	5.01
283.2895813	0.45
288.0523682	0.64
289.3291321	1.36
290.2554321	0.27
304.9045715	1.13
305.5082397	1.85
306.9813843	6.65
310.3374023	0.77
316.1444702	2.28
325.4102783	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1125.9875
Annotation	Unknow
Peak:m/z	Relative Intensity
317.1455688	0.06
340.3095398	0.21
360.2530212	0.08
382.2413330	0.07
395.5783997	0.07
409.1949158	0.10
424.0711670	0.06
512.1755371	0.09
519.0266724	0.08
563.3306885	0.03
564.5621338	0.09
687.8355713	0.15
743.3586426	0.03
744.3496704	0.03
803.9434204	0.12
848.4559326	0.03
869.4448242	0.35
906.8352051	0.10
919.2037354	0.35
980.1813965	0.21
987.7130127	0.61
992.4295654	0.68
996.9613037	0.10
1004.2114260	0.62
1016.2990720	0.12
1018.8481450	0.04
1019.8226320	0.09
1023.5837400	0.24
1027.7231450	0.24
1030.0506590	0.70
1033.6899410	0.13
1034.5488280	0.76
1036.4151610	0.19
1037.6127930	0.03
1038.6030270	0.51
1040.4628910	1.78
1041.4468990	0.58
1045.2502440	1.16
1046.1696780	0.34
1047.9351810	0.67
1050.1713870	0.40
1051.2415770	0.18
1052.2651370	0.44
1053.7248540	0.06
1054.7628170	0.42
1058.9843750	0.69
1059.8317870	1.43
1061.3454590	1.43
1062.5012210	1.04
1065.1326900	1.09
1065.8526610	0.20
1066.5836180	0.60
1067.9951170	0.38
1069.4627690	4.26
1070.1262210	3.10
1071.9611820	0.23
1074.0532230	14.94
1074.9941410	1.45
1075.8298340	1.07
1076.6191410	0.57
1077.5587160	0.14
1078.1909180	0.40
1080.1405030	0.77
1080.9567870	0.02
1082.4843750	1.38
1083.3585210	0.55
1085.0417480	1.28
1085.6706540	0.50
1087.2194820	2.78
1087.9606930	0.42
1089.3453370	3.97
1090.1489260	1.36
1091.3530270	2.87
1092.5017090	1.13
1093.8933110	13.38
1094.6809080	3.82
1095.5078120	0.88
1096.1950680	0.20
1097.9567870	6.60
1098.6396480	8.43
1099.5502930	0.22
1100.7099610	0.09
1101.4155270	0.20
1102.2678220	6.52
1102.9267580	2.86
1104.8087160	0.43
1105.6625980	0.26
1107.1728520	0.70
1108.4116210	0.21
1109.1059570	0.29
1111.2360840	2.31
1111.8911130	2.53
1113.5805660	2.67
1114.1912840	1.98
1115.8538820	2.08
1116.5917970	0.57
1117.2951660	0.14
1118.3176270	0.26
1122.0668950	0.05
1169.1441650	0.10
1193.7380370	0.32
1206.8737790	0.15
1207.7019040	0.16
1225.1602780	0.63
1236.3154300	0.26
1238.4882810	0.03
1243.6906740	0.23
1253.9583740	0.31
1258.0961910	0.11
1265.7556150	0.11
1268.1562500	0.09
1269.1779790	0.15
1270.2504880	0.37
1277.0460210	0.44
1278.3037110	0.88
1279.7323000	0.23
1284.9876710	0.22
1289.5014650	0.17
1291.5195310	0.29
1293.6906740	0.28
1298.9732670	0.61
1300.3233640	0.46
1302.8435060	0.13
1312.1469730	0.31
1314.4650880	0.13
1316.1809080	0.05
1319.1495360	0.45
1321.6414790	0.21
1322.3615720	0.41
1325.5465090	0.57
1326.5512700	0.06
1327.3149410	0.30
1328.5216060	0.35
1331.6318360	0.10
1332.3948970	0.86
1336.3734130	0.22
1338.0941160	0.08
1339.2312010	0.16
1340.5892330	0.48
1341.7563480	0.58
1343.9315190	0.86
1346.7965090	0.24
1347.6462400	0.57
1349.2802730	0.62
1350.5599370	0.54
1353.3704830	0.45
1354.5753170	0.42
1355.8023680	2.19
1356.5203860	0.33
1357.3475340	0.19
1358.0169680	0.11
1359.4506840	0.85
1360.6251220	1.47
1361.4176030	1.12
1363.8753660	1.05
1364.5311280	0.09
1366.1741940	0.34
1367.2279050	0.46
1369.1584470	1.82
1370.0386960	0.52
1371.0283200	1.06
1371.7629390	0.25
1373.2645260	1.15
1374.6463620	1.79
1376.2760010	1.97
1377.5574950	1.13
1378.8645020	7.16
1379.6544190	1.91
1380.3685300	0.23
1381.1019290	1.36
1382.3378910	1.67
1383.1440430	0.70
1384.5855710	0.37
1385.5814210	0.15
1386.6749270	1.67
1387.4321290	2.51
1388.2548830	1.02
1388.9863280	0.17
1390.6528320	0.40
1392.7218020	1.79
1393.3648680	10.25
1394.2153320	2.03
1395.0325930	0.49
1396.2352290	0.49
1397.8084720	1.69
1398.4476320	0.18
1399.3648680	0.65
1401.6837160	0.21
1403.3179930	1.21
1405.0864260	0.80
1405.8970950	0.27
1406.7224120	1.15
1408.7567140	0.95
1409.4633790	0.43
1410.3763430	0.68
1412.4035640	6.44
1413.2368160	1.65
1414.0545650	1.10
1415.3358150	0.89
1416.4547120	0.70
1417.6383060	0.55
1419.2976070	0.98
1420.1871340	5.64
1421.0812990	0.83
1421.8206790	0.41
1422.5260010	0.69
1424.9749760	2.78
1425.7668460	25.52
1426.5385740	4.23
1427.6628420	0.69
1429.0057370	1.03
1430.9571530	8.42
1431.8380130	100.00
1433.4989010	0.69
1434.8651120	1.30
1435.9238280	0.25
1437.2557370	0.62
1438.0329590	0.57
1439.7163090	0.72
1441.0750730	0.47
1441.7032470	0.10
1442.9056400	1.46
1444.1114500	0.68
1446.2313230	2.07
1447.0408940	0.81
1449.3653560	1.49
1450.2554930	0.06
1451.6416020	1.21
1452.5767820	3.22
1453.4429930	1.30
1454.7178960	2.31
1457.9654540	12.52
1458.6564940	6.71
1459.3807370	1.68
1460.6094970	0.21
1463.4079590	5.26
1464.1944580	30.19
1465.1265870	1.64
1465.7304690	1.60
1466.7703860	0.13
1468.7362060	1.52
1469.4522710	6.31
1470.3500980	1.40
1471.0804440	0.23
1472.6514890	0.47
1473.4486080	0.22
1478.7939450	0.04
1479.5035400	0.03
1483.0534670	0.12
1487.9558110	0.11
1498.9747310	0.06
1519.0263670	0.15
1520.1745610	0.21
1547.9011230	0.18
1574.0609130	0.15
1597.5333250	0.12
1608.8474120	0.03
1689.1771240	0.25
1733.6251220	0.14
1735.2532960	0.10
1764.6827390	0.05
1771.9040530	0.03
1776.4261470	0.23
1778.4910890	0.25
1782.7894290	0.04
1817.8640140	0.18
1838.8746340	0.04
1845.4383540	0.54
1849.5631100	0.08
1853.5360110	0.11
1863.8405760	0.05
1868.4123540	0.03
1871.4444580	0.15
1877.4807130	0.08
1880.2381590	0.14
1881.9354250	0.10
1884.2751460	0.05
1886.7159420	0.06
1887.7277830	0.14
1894.2694090	0.03
1897.8968510	0.28
1898.6691890	0.21
1899.3112790	0.16
1900.5496830	0.31
1901.5242920	0.29
1902.8350830	0.43
1907.9490970	0.55
1908.7771000	0.14
1913.6794430	0.17
1916.3272710	0.02
1921.5994870	0.07
1922.8363040	0.03
1924.0970460	0.15
1928.5181880	0.13
1931.2517090	0.02
1935.8673100	0.04
1938.2510990	0.34
1939.2347410	0.09
1942.5690920	0.51
1943.8752440	0.04
1946.8160400	0.19
1948.0660400	0.95
1949.8454590	0.20
1955.9342040	0.57
1957.8449710	0.04
1958.8356930	0.29
1961.1594240	0.34
1963.6644290	0.25
1965.4376220	0.23
1966.6188960	0.05
1968.1981200	0.22
1970.3186040	0.46
1971.2525630	0.62
1973.1521000	0.12
1976.1403810	0.14
1977.9455570	0.12
1979.3835450	0.03
1980.2393800	0.94
1984.6461180	0.19
1986.1070560	0.55
1989.1174320	4.48
1990.4650880	0.61
1991.2818600	0.06
1992.7728270	12.40
1994.5198970	0.08
1995.6159670	0.16
1998.3890380	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
126.9541321	0.25
135.0877228	0.96
136.0281525	0.21
144.6240845	0.05
161.1312408	0.34
171.9095154	0.11
173.0631714	1.33
174.0671082	0.53
179.1133423	5.09
180.1184082	2.48
191.0591736	100.00
192.0493317	49.07
231.1708679	0.09
252.124939	0.26
258.1384277	0.22
272.0895081	0.20
291.520752	0.25
307.2033386	0.12
308.2726746	0.09
309.2591248	0.33
310.1798706	0.74
317.4699707	0.17
318.0722961	0.45
336.1213989	0.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1078.47
Annotation	Unknow
Peak:m/z	Relative Intensity
355.1827087	0.12
393.5661011	0.07
457.9931641	0.13
477.3202515	0.08
518.5056763	0.06
530.2180786	0.11
542.6785889	0.29
614.3392334	0.05
636.2022705	0.19
654.4697266	0.24
718.5183716	0.05
734.6549683	0.06
757.6243896	0.17
893.2039795	0.18
906.9039307	0.07
946.8569336	0.07
950.7972412	0.89
953.8967285	0.19
957.4207764	0.64
970.2916260	0.93
971.1257324	0.25
972.7092285	0.74
974.9345703	0.64
977.9669189	0.31
983.9866943	0.06
985.9755859	0.31
992.3635254	0.51
993.1833496	0.23
994.3692627	0.26
998.7500000	0.69
1001.1354980	0.21
1001.8503420	0.67
1003.3724370	0.31
1005.2381590	0.79
1008.0842290	1.85
1009.3945310	0.83
1011.5620120	0.43
1012.4902340	0.09
1013.9609380	1.85
1015.1696780	1.08
1016.2413330	1.10
1016.8470460	0.11
1020.6481930	0.89
1021.9841310	0.61
1024.7813720	1.38
1026.5427250	0.18
1028.6558840	0.38
1029.6380620	0.83
1031.1191410	1.58
1031.9625240	1.00
1033.3813480	3.75
1034.1823730	0.29
1036.0759280	2.43
1037.3955080	2.03
1038.2487790	2.21
1040.0709230	8.02
1040.7128910	2.59
1042.0371090	8.23
1042.8496090	1.03
1044.6365970	19.59
1045.5784910	2.69
1047.1809080	0.26
1049.1141360	19.30
1049.8109130	1.18
1051.0954590	1.15
1052.7720950	0.76
1053.5001220	0.33
1054.2072750	0.11
1055.7641600	0.19
1057.4339600	0.50
1060.1120610	1.12
1061.4460450	0.12
1062.8028560	0.66
1065.4929200	0.44
1076.9121090	0.07
1094.4515380	0.41
1139.3962400	0.12
1176.8713380	0.08
1183.8618160	0.65
1189.3463130	0.11
1193.4256590	1.00
1199.6179200	0.31
1201.1218260	0.39
1205.8732910	0.60
1209.6469730	0.17
1211.5830080	0.06
1215.5141600	0.82
1220.3005370	0.33
1222.1640620	0.60
1228.9426270	0.54
1231.4160160	0.46
1232.9841310	0.32
1246.1177980	0.19
1252.4141850	0.92
1253.3771970	0.50
1254.9460450	0.82
1258.5793460	0.94
1260.1287840	0.67
1265.6604000	1.43
1266.4646000	0.45
1268.4183350	0.44
1269.5510250	0.25
1272.9057620	0.24
1278.0269780	2.12
1280.1556400	0.27
1284.8702390	0.64
1286.2314450	0.73
1287.3211670	0.84
1289.1350100	1.11
1291.8044430	1.47
1293.8062740	0.25
1295.9764400	0.12
1297.3471680	0.75
1300.1057130	1.64
1301.5306400	0.16
1303.1345210	0.88
1303.9982910	0.48
1308.6608890	0.54
1309.5194090	0.31
1310.4686280	0.95
1311.7293700	0.18
1312.3492430	0.50
1313.2987060	0.41
1315.2525630	2.15
1315.8868410	0.73
1317.5474850	1.37
1318.4748540	0.41
1319.6688230	0.30
1320.9870610	0.16
1322.6274410	2.30
1323.5374760	0.86
1324.5694580	0.76
1325.2677000	0.48
1327.0335690	0.28
1330.0643310	1.23
1331.1192630	0.42
1331.9320070	0.51
1333.2629390	0.38
1334.4887700	0.25
1335.3311770	0.46
1336.4357910	1.81
1337.5216060	0.87
1338.3897710	0.81
1340.4205320	0.05
1341.3869630	1.59
1343.8619380	0.47
1345.4479980	1.55
1346.1473390	1.51
1346.9582520	0.11
1348.7518310	3.83
1349.4199220	0.55
1350.1258540	1.02
1351.3206790	0.32
1352.4995120	0.71
1354.1015620	4.41
1354.8417970	7.09
1355.7329100	2.14
1356.7180180	0.60
1357.7868650	0.49
1358.9366460	0.33
1360.5321040	12.38
1361.3487550	7.95
1362.1571040	1.13
1363.0043950	0.68
1364.6900630	1.92
1365.3170170	1.03
1366.0418700	0.30
1370.3420410	0.26
1374.5207520	0.47
1375.7133790	0.72
1377.3668210	0.29
1378.1228030	0.43
1379.0385740	0.29
1380.4791260	1.27
1381.3205570	0.13
1383.4288330	2.61
1384.1828610	0.80
1386.4290770	5.41
1387.4595950	1.13
1388.4949950	3.30
1389.3282470	1.97
1390.8374020	0.06
1392.3477780	10.29
1393.1258540	10.09
1393.9851070	0.33
1396.8166500	0.25
1397.7055660	3.76
1398.6845700	100.00
1400.8732910	0.86
1402.2979740	0.92
1403.1323240	0.47
1404.1307370	1.80
1404.8713380	0.33
1405.6439210	0.11
1406.6842040	0.11
1408.0718990	0.17
1412.9552000	0.53
1420.1166990	0.16
1501.2689210	0.09
1509.7366940	0.27
1522.7816160	0.35
1541.1669920	0.09
1549.9930420	0.05
1578.3708500	0.75
1580.3238530	0.09
1590.1556400	0.16
1595.0520020	0.19
1602.2828370	0.14
1650.7365720	0.20
1677.2545170	0.40
1683.4134520	0.18
1691.3094480	0.20
1706.9201660	0.14
1714.7503660	0.36
1741.3060300	0.10
1744.7829590	0.27
1753.9826660	0.45
1759.4378660	0.06
1762.8980710	0.09
1770.4051510	0.28
1776.2808840	0.04
1781.3260500	0.05
1800.0738530	0.08
1802.2746580	0.07
1810.2652590	0.12
1814.2366940	0.35
1817.4074710	0.21
1820.6861570	0.18
1822.4324950	0.14
1838.6707760	0.23
1840.2834470	0.32
1844.1335450	0.06
1847.7159420	0.26
1857.6857910	0.19
1859.7659910	0.07
1861.2664790	0.48
1862.2593990	0.17
1863.2808840	1.76
1864.1320800	2.66
1865.3409420	0.32
1873.3162840	0.21
1880.4543460	0.17
1884.6754150	0.35
1887.4924320	0.28
1888.4263920	0.46
1889.9737550	0.56
1893.3308110	9.83
1895.0665280	0.34
1896.3854980	0.39
1897.4781490	0.28
1901.0261230	0.67
1904.4190670	0.11
1905.7913820	0.26
1911.7943120	1.14
1915.9027100	0.04
1920.6651610	0.50
1921.9066160	1.35
1924.0909420	0.28
1925.2974850	0.11
1926.5544430	0.07
1932.8404540	0.14
1934.9068600	0.10
1937.2805180	0.45
1941.0479740	0.23
1943.7335210	0.77
1946.2542720	0.40
1951.3951420	0.39
1952.9652100	0.05
1955.0128170	0.38
1956.1149900	0.21
1959.2657470	1.37
1961.7325440	2.78
1963.1993410	0.05
1966.5621340	0.60
1968.2995610	1.64
1969.0676270	0.07
1970.8806150	0.12
1971.9420170	0.70
1973.5734860	0.44
1975.3609620	0.11
1975.9929200	0.11
1976.7896730	0.21
1978.5773930	0.06
1979.2800290	0.81
1980.8472900	7.81
1981.7087400	0.49
1983.1986080	0.49
1983.8786620	0.34
1985.1444090	0.05
1987.4478760	0.05
1988.0938720	1.97
1991.6121830	0.07
1994.5054930	0.14
1996.6682130	0.47
1998.0090330	0.43
1998.9537350	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
201.3392334	0.01
227.0512085	0.02
242.1466980	0.03
255.3624573	0.03
279.3624268	2.20
289.0222778	0.02
362.9631348	0.02
417.3348999	0.03
425.2120361	0.15
427.2744141	0.02
459.3339233	0.07
469.4002686	0.10
474.8498535	0.06
480.4921875	0.05
504.3964233	100.00
505.4750977	0.29
517.1840210	0.04
518.0929565	0.05
519.7545166	0.02
520.4769287	0.04
527.1152954	0.06
528.0562134	0.03
545.4649048	0.22
546.3651733	0.07
547.7758179	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1428.92
Annotation	Unknow
Peak:m/z	Relative Intensity
479.3002930	0.30
482.4766846	0.28
541.5079346	0.40
550.4842529	0.97
589.3612061	0.63
617.2167969	0.31
662.5953369	0.24
667.2147217	0.10
669.5177612	0.45
670.4686279	0.31
705.0998535	0.52
714.5574341	0.28
730.4007568	0.38
747.2835083	0.36
830.2423706	0.52
860.2761230	0.32
862.6222534	0.19
864.2951660	0.71
866.8231201	0.31
878.4700317	0.36
879.1793213	0.28
886.9174194	0.31
895.9348145	0.79
918.6630859	0.89
921.7584229	0.24
922.4913330	0.66
928.1999512	0.53
930.7321777	1.80
940.0676270	0.23
945.9511719	0.87
949.1528320	1.15
956.2067871	0.14
959.0517578	0.72
960.4123535	1.46
961.1690674	0.29
963.7897949	3.20
964.7108154	1.63
965.5278320	1.12
966.4029541	1.64
968.1416016	0.39
969.0756836	1.62
974.3455811	0.57
977.9309082	0.49
979.2347412	0.41
980.1351318	1.29
981.0629883	10.73
981.8962402	4.47
985.6472168	0.46
989.1069336	0.18
991.2198486	0.46
995.3869629	0.80
997.1405029	3.77
1003.6585690	0.36
1004.5091550	0.78
1009.7268070	0.29
1013.0469970	0.64
1017.7052000	0.68
1027.2236330	0.43
1036.5690920	1.27
1037.4752200	1.78
1048.1282960	0.21
1049.4653320	0.50
1053.5928960	0.10
1067.4406740	0.45
1069.4667970	1.21
1070.5539550	0.22
1075.9907230	1.73
1081.2465820	3.94
1085.1119380	0.17
1085.7814940	0.57
1087.9843750	0.75
1088.6864010	0.12
1091.0085450	2.08
1091.6358640	0.36
1093.1282960	0.55
1095.3211670	1.18
1096.6683350	0.24
1097.7059330	0.28
1102.8916020	2.87
1103.5073240	0.70
1107.2774660	0.77
1107.9404300	0.25
1111.4382320	0.12
1112.0993650	0.29
1113.3421630	0.76
1115.4388430	0.99
1118.0399170	0.16
1120.1701660	3.17
1120.8085940	0.65
1122.4338380	0.87
1123.8206790	1.22
1125.5787350	0.64
1126.4052730	0.10
1129.1158450	3.19
1129.7797850	1.66
1130.6892090	0.83
1135.1022950	1.70
1135.8405760	0.11
1137.6988530	1.70
1139.1655270	1.57
1143.7362060	0.18
1145.1447750	1.69
1149.3725590	0.16
1155.6301270	0.37
1157.4060060	2.96
1158.2612300	3.26
1160.7999270	1.36
1161.6022950	1.43
1163.9804690	1.05
1165.9172360	1.54
1171.7900390	2.48
1174.6420900	0.88
1176.5129390	0.27
1177.8491210	0.25
1178.4827880	0.17
1179.6812740	0.84
1180.4224850	0.35
1182.8924560	1.31
1184.0279540	0.27
1189.6524660	1.38
1192.7430420	0.45
1195.7373050	1.91
1200.2296140	1.03
1205.7104490	0.15
1209.5466310	1.34
1216.8798830	1.03
1223.8374020	1.68
1224.5871580	0.34
1229.6359860	0.24
1230.3408200	0.67
1231.8211670	0.18
1233.7978520	2.74
1236.6134030	0.11
1238.4423830	1.64
1241.5598140	0.91
1244.4909670	4.06
1245.5021970	0.47
1246.8172610	0.27
1248.9869380	0.13
1250.1342770	2.92
1251.3566890	1.43
1253.0573730	2.56
1254.7587890	0.45
1255.4996340	1.22
1256.6298830	1.48
1258.3322750	0.78
1260.1671140	4.39
1260.9869380	0.15
1262.2268070	2.48
1263.3295900	2.19
1265.9736330	0.73
1266.6375730	0.57
1267.3031010	2.75
1269.2736820	1.05
1270.6643070	0.72
1271.6757810	6.18
1272.6500240	2.29
1273.6441650	0.56
1275.1104740	1.37
1277.9501950	0.53
1280.1782230	1.33
1280.8900150	14.89
1282.2409670	3.71
1284.6304930	1.40
1285.6855470	0.63
1286.6972660	4.26
1287.7015380	2.20
1288.3969730	0.48
1290.5637210	1.16
1292.4443360	6.82
1294.7719730	1.48
1296.4794920	0.16
1297.6477050	2.50
1298.4567870	0.49
1299.4245610	0.50
1300.2061770	1.02
1301.0856930	0.67
1302.2988280	4.41
1303.2033690	1.92
1304.2180180	3.40
1306.1624760	1.12
1307.3243410	1.60
1309.4514160	2.63
1311.0222170	2.12
1312.6960450	1.66
1313.9274900	2.94
1314.7292480	0.82
1315.4506840	1.69
1316.9899900	2.60
1317.9643550	2.98
1318.7098390	0.35
1320.2941890	5.67
1321.3166500	2.17
1322.0535890	0.42
1323.1331790	0.60
1324.5388180	1.88
1325.5800780	0.88
1326.8636470	4.68
1327.5111080	10.40
1328.2001950	7.61
1329.8326420	4.95
1331.5825200	8.33
1332.6134030	5.56
1333.6156010	1.84
1334.5942380	5.92
1335.9730220	10.51
1337.1376950	7.68
1338.2771000	8.67
1339.4211430	2.60
1341.4122310	10.00
1342.8127440	17.77
1343.6259770	3.23
1344.4746090	0.40
1345.4113770	3.01
1346.3049320	2.57
1347.8486330	6.97
1349.0179440	10.08
1349.8549800	1.33
1351.6313480	2.18
1352.7724610	21.77
1354.1260990	10.88
1355.3656010	19.38
1356.2005620	0.84
1357.3077390	6.12
1358.6369630	9.52
1359.4420170	5.51
1360.4345700	14.08
1361.3061520	3.81
1362.5444340	7.07
1364.0314940	7.88
1365.2380370	3.20
1366.3728030	3.09
1367.4301760	3.57
1368.3598630	7.66
1369.1988530	3.31
1370.3417970	22.66
1371.3865970	4.66
1372.0321040	7.04
1373.2329100	3.21
1374.2246090	10.66
1375.4357910	20.88
1376.5321040	6.34
1377.3848880	3.73
1378.4699710	10.16
1379.7119140	9.67
1380.5207520	14.50
1381.7845460	9.54
1382.6396480	3.59
1383.4978030	6.25
1385.1859130	17.60
1386.0789790	14.74
1386.7386470	23.64
1388.0832520	5.81
1389.4030760	25.99
1390.2912600	33.78
1391.2900390	22.08
1392.4504390	15.96
1393.2539060	20.92
1394.6987300	19.00
1395.8691410	21.74
1396.5610350	38.43
1397.6796880	24.06
1399.1291500	11.13
1399.9099120	31.44
1401.1430660	50.48
1402.4683840	37.13
1403.7810060	25.30
1404.4091800	2.99
1405.6165770	19.07
1406.9078370	28.07
1407.8050540	100.00
1408.8973390	1.34
1410.7309570	10.02
1411.3905030	25.31
1412.4420170	17.12
1413.7044680	27.26
1414.5269780	1.55
1419.8321530	0.37
1436.8470460	1.19
1439.3081050	0.57
1442.7976070	0.76
1444.6143800	0.20
1450.2017820	1.08
1450.9093020	0.17
1452.2423100	0.94
1453.3903810	0.77
1456.9083250	0.81
1458.0186770	2.08
1458.8406980	0.69
1460.0371090	3.50
1466.8289790	0.37
1468.3367920	0.80
1471.4025880	1.47
1473.4313960	0.94
1476.1729740	1.55
1477.8059080	0.55
1481.9425050	1.43
1483.9073490	2.69
1484.9078370	1.47
1488.1584470	0.98
1490.6475830	3.36
1493.4025880	0.96
1494.4083250	0.36
1497.6707760	0.62
1498.8840330	1.88
1499.8302000	5.87
1500.7835690	1.76
1501.3865970	0.32
1502.3453370	1.21
1503.7131350	0.61
1505.3326420	1.43
1506.5084230	1.90
1507.9508060	0.54
1508.7531740	0.26
1511.4504390	0.32
1512.8945310	0.34
1515.3948970	1.82
1516.0635990	0.52
1516.9381100	1.95
1521.0085450	0.89
1521.8210450	4.85
1522.7653810	1.15
1524.3531490	1.04
1529.7120360	0.56
1530.3786620	0.26
1532.8001710	0.19
1537.8009030	2.96
1538.7430420	4.46
1539.4777830	6.69
1540.2189940	0.18
1542.3448490	0.42
1542.9801030	0.59
1554.8161620	3.50
1555.4390870	0.27
1561.2596440	0.29
1561.8990480	0.58
1565.8320310	0.80
1569.8962400	0.87
1571.2768550	0.66
1575.3272710	0.40
1577.2901610	1.20
1579.3729250	0.58
1599.6700440	0.15
1605.8109130	0.58
1608.4334720	0.28
1614.1909180	0.39
1624.3173830	0.33
1659.3773190	0.84
1677.6148680	1.32
1682.7249760	0.63
1683.7698970	0.35
1689.9482420	0.60
1700.0762940	0.22
1701.1524660	1.19
1702.0552980	1.85
1706.3751220	0.21
1710.3425290	0.70
1713.3270260	1.29
1721.8291020	0.44
1722.7133790	0.34
1724.3186040	0.39
1726.4703370	0.26
1728.1005860	0.12
1731.9472660	0.17
1733.7003170	1.07
1735.9433590	1.55
1737.2226560	0.58
1740.0909420	3.09
1741.2781980	0.15
1741.8834230	0.53
1744.9476320	2.18
1747.0368650	0.16
1748.3131100	1.20
1749.7762450	1.02
1750.8917240	0.77
1753.7174070	0.95
1755.4522710	0.41
1757.2360840	0.15
1759.5538330	0.75
1760.4957280	1.51
1761.8587650	1.51
1763.9202880	2.32
1764.5935060	0.21
1765.2396240	0.23
1765.9034420	0.93
1766.5631100	0.55
1767.4519040	2.72
1770.0062260	1.36
1776.1798100	2.32
1777.3541260	0.39
1779.4113770	0.92
1783.2219240	0.85
1786.1141360	1.55
1790.6112060	0.46
1791.8936770	0.81
1793.0275880	0.60
1794.3966060	0.45
1796.4029540	0.82
1798.0001220	0.74
1804.4525150	0.21
1819.2449950	0.68
1826.1882320	2.50
1831.7672120	0.60
1835.3060300	0.28
1836.9943850	2.05
1845.7312010	0.76
1850.6417240	0.99
1851.5169680	0.23
1853.9240720	0.79
1854.7989500	0.95
1855.8117680	0.49
1856.4201660	0.28
1857.1036380	1.23
1858.8991700	1.71
1859.7839360	0.63
1862.9309080	0.41
1865.7095950	0.48
1867.2430420	0.56
1872.4919430	0.14
1875.2297360	0.34
1876.7064210	2.06
1877.5388180	0.15
1880.0028080	0.77
1881.8643800	0.54
1883.1326900	1.48
1884.0065920	2.77
1884.9564210	0.76
1885.8304440	0.33
1888.2493900	0.78
1888.9552000	0.22
1890.5889890	0.78
1891.7371830	0.41
1892.6412350	3.19
1895.3292240	1.30
1896.5367430	0.22
1898.9251710	1.53
1900.2926030	3.18
1902.5364990	0.48
1904.9670410	0.76
1906.2155760	2.95
1907.1685790	1.08
1910.1829830	0.84
1911.3851320	0.52
1913.2565920	0.14
1914.6890870	1.24
1915.4978030	0.73
1918.8142090	0.36
1920.9118650	2.78
1921.9816890	2.17
1923.0638430	1.74
1925.3776860	0.42
1929.5267330	3.00
1930.9576420	0.88
1933.7293700	1.45
1934.9542240	0.26
1935.8059080	0.42
1937.0216060	3.65
1937.6706540	1.40
1938.7635500	2.74
1939.9699710	1.89
1945.6219480	1.73
1946.3791500	1.90
1947.2396240	2.19
1948.9429930	1.43
1954.6369630	0.88
1955.6099850	2.09
1956.8077390	0.28
1958.7418210	0.48
1961.5040280	0.37
1962.9177250	5.36
1964.1353760	2.27
1964.9034420	0.47
1965.9722900	1.04
1967.5814210	0.21
1972.0557860	0.19
1972.9227290	0.82
1978.8734130	0.86
1983.8253170	0.53
1986.7614750	1.88
1992.9864500	0.36
1995.0861820	1.53
1998.0474850	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.74
Annotation	Unknow
Peak:m/z	Relative Intensity
210.9394836	0.93
236.0027161	0.26
252.8011169	0.23
266.2620850	0.35
292.9973755	0.78
295.0458679	0.82
297.1919556	0.84
332.8088989	0.35
378.9732361	0.96
380.7415161	23.31
381.6252441	0.75
418.7457886	100.00
464.9230652	1.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
95.28915405	0.27
96.76365662	1.66
109.0484467	0.58
112.7848663	0.76
116.9347839	0.29
118.7655411	0.47
123.002182	0.43
125.0671844	0.76
127.2619781	0.25
128.9237213	0.62
133.0483704	0.42
135.1368103	0.49
137.0085754	0.58
139.0995483	1.54
140.5615845	0.14
142.8924255	0.78
147.1036072	0.15
148.9863281	0.54
151.1283569	0.24
153.0305481	1.59
155.0324402	1.49
157.1424408	1.56
163.3308868	0.16
165.236145	0.92
167.2932587	0.57
169.0698853	0.56
171.1778412	0.99
173.1269531	1.14
175.265625	0.12
177.114624	0.29
179.2763214	0.39
181.1027985	0.82
183.0979004	2.28
185.03685	0.17
191.0835266	0.24
193.5606995	0.27
195.1524963	0.44
197.1159668	4.82
198.0821228	0.34
199.0176697	0.52
200.9740295	0.17
203.084198	2.07
209.1275024	0.37
211.2503967	1.04
212.9291382	0.55
215.0109863	0.20
217.3704224	0.26
218.7377014	0.21
219.3410034	0.97
220.4155579	0.20
221.1805725	1.57
223.2593384	0.35
225.085022	0.66
227.0942993	0.26
232.9403076	2.10
237.3186035	3.01
239.2112427	7.90
241.4566345	1.06
242.9632263	1.40
251.1663818	1.37
253.1524658	0.32
255.3276978	1.42
256.0507812	0.57
257.0300293	1.65
261.2650757	3.56
277.4214478	0.14
279.2385254	100.00
280.4832764	1.15
281.944458	0.20
284.9746094	0.26
288.2820435	0.42
289.3063049	1.51
296.3226318	0.70
297.3340759	0.20
304.9430542	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
92.79541016	1.51
104.8569946	0.39
137.0300446	100.00
181.0935364	0.37
215.4668884	0.44
224.5895996	0.64
236.9789734	2.30
253.2637024	1.85
255.1887207	0.71
263.203064	0.39
281.1879883	1.90
END