#DEFINITION	Reference Metabolome for Acer saccharum
#IDENTTFIER	RefMeta-Acer saccharum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Acer saccharum
#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 Acer saccharum 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	negtive
CollisionEnergy	NA
PrecursorMz	187.0408
Annotation	Ramentaceone
Peak:m/z	Relative Intensity
49.50349	0.00
49.50382	0.00
49.50415	0.00
49.50448	0.00
55.86631	0.00
55.86671	0.00
55.86710	0.00
55.86750	0.00
55.86790	0.27
55.86829	0.50
55.86869	0.57
55.86909	0.43
55.86948	0.17
55.86989	0.00
55.87028	0.00
55.87068	0.00
55.87107	0.00
57.03070	0.00
57.03111	0.00
57.03151	0.00
57.03192	0.00
57.03233	0.38
57.03274	0.57
57.03315	0.62
57.03356	0.47
57.03396	0.21
57.03440	0.00
57.03480	0.00
57.03521	0.00
57.03562	0.00
60.01356	0.00
60.01400	0.00
60.01444	0.00
60.01488	0.00
60.01532	0.41
60.01577	0.56
60.01621	0.58
60.01665	0.46
60.01709	0.25
60.01754	0.00
60.01798	0.00
60.01842	0.00
60.01886	0.00
61.13988	0.00
61.14033	0.00
61.14079	0.00
61.14124	0.00
61.14169	0.25
61.14215	0.47
61.14260	0.55
61.14305	0.46
61.14351	0.26
61.14401	0.00
61.14447	0.00
61.14492	0.00
61.14537	0.00
68.28945	0.00
68.28999	0.00
68.29052	0.00
68.29106	0.00
68.29159	0.26
68.29213	0.50
68.29266	0.59
68.29320	0.46
68.29373	0.21
68.29431	0.00
68.29484	0.00
68.29538	0.00
68.29591	0.00
73.19881	0.00
73.19941	0.00
73.20000	0.00
73.20060	0.00
73.20119	0.27
73.20178	0.51
73.20238	0.61
73.20297	0.51
73.20357	0.28
73.20429	0.00
73.20489	0.00
73.20548	0.00
73.20607	0.00
90.82862	0.00
90.82944	0.00
90.83026	0.00
90.83108	0.00
90.83190	0.30
90.83272	0.53
90.83354	0.65
90.83437	0.59
90.83519	0.37
90.83604	0.00
90.83686	0.00
90.83768	0.00
90.83850	0.00
95.07696	0.00
95.07784	0.00
95.07872	0.00
95.07960	0.00
95.08048	0.27
95.08136	0.51
95.08224	0.68
95.08312	0.68
95.08400	0.49
95.08500	0.00
95.08588	0.00
95.08676	0.00
95.08764	0.00
111.86328	0.00
111.86440	0.00
111.86552	0.00
111.86665	0.00
111.86777	0.44
111.86889	0.67
111.87001	0.73
111.87113	0.59
111.87226	0.35
111.87340	0.00
111.87453	0.00
111.87565	0.00
111.87677	0.00
115.00588	0.00
115.00705	0.00
115.00822	0.00
115.00939	0.00
115.01056	0.19
115.01173	0.87
115.01290	0.55
115.01428	0.64
115.01545	1.58
115.01662	5.19
115.01779	10.22
115.01896	15.23
115.02013	14.07
115.02130	8.62
115.02247	3.54
115.02364	0.67
115.02481	0.12
115.02630	0.00
115.02747	0.00
115.02864	0.00
115.02981	0.00
186.02753	0.00
186.02994	0.00
186.03234	0.00
186.03475	0.00
186.03716	0.32
186.03956	0.84
186.04197	1.88
186.04438	2.78
186.04678	2.48
186.04919	1.11
186.05160	0.48
186.05405	0.00
186.05646	0.00
186.05887	0.00
186.06127	0.00
187.01085	0.00
187.01327	0.00
187.01570	0.00
187.01813	0.00
187.02055	0.04
187.02298	0.81
187.02540	1.73
187.02783	2.22
187.03025	3.07
187.03268	10.05
187.03511	34.47
187.03753	67.19
187.03996	100.00
187.04238	93.36
187.04481	58.47
187.04724	26.24
187.04966	7.17
187.05209	2.30
187.05452	1.95
187.05694	1.29
187.05933	1.51
187.06175	0.16
187.06418	0.00
187.06661	0.00
187.06903	0.00
187.07146	0.00
212.11923	0.00
212.12216	0.00
212.12509	0.00
212.12802	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
49.50260	0.00
49.50293	0.00
49.50326	0.00
49.50359	0.00
53.52259	0.00
53.52296	0.00
53.52333	0.00
53.52370	0.00
53.52408	0.03
53.52445	0.06
53.52482	0.07
53.52519	0.06
53.52556	0.03
53.52593	0.00
53.52630	0.00
53.52667	0.00
53.52705	0.00
53.79251	0.00
53.79288	0.00
53.79326	0.00
53.79363	0.00
53.79401	0.03
53.79438	0.06
53.79475	0.07
53.79513	0.07
53.79550	0.04
53.79584	0.00
53.79621	0.00
53.79659	0.00
53.79696	0.00
58.06084	0.00
58.06126	0.00
58.06168	0.00
58.06210	0.00
58.06252	0.00
58.06294	0.16
58.06336	0.09
58.06382	0.13
58.06424	0.26
58.06466	0.81
58.06508	2.44
58.06550	4.30
58.06592	5.83
58.06634	4.77
58.06676	2.82
58.06718	0.99
58.06760	0.20
58.06802	0.02
58.06844	0.00
58.06886	0.00
58.06928	0.00
58.06970	0.00
59.06922	0.00
59.06965	0.00
59.07008	0.00
59.07051	0.00
59.07094	0.05
59.07137	0.15
59.07180	0.21
59.07223	0.53
59.07266	1.68
59.07309	3.61
59.07353	5.70
59.07396	6.01
59.07439	3.97
59.07482	1.98
59.07525	0.49
59.07568	0.08
59.07611	0.07
59.07649	0.00
59.07692	0.00
59.07735	0.00
59.07770	0.00
59.07813	0.00
59.07856	0.00
59.07899	0.00
68.30490	0.00
68.30543	0.00
68.30597	0.00
68.30650	0.00
68.30704	0.05
68.30757	0.08
68.30811	0.09
68.30865	0.08
68.30918	0.04
68.30971	0.00
68.31024	0.00
68.31078	0.00
68.31131	0.00
69.34087	0.00
69.34142	0.00
69.34197	0.00
69.34251	0.00
69.34306	0.04
69.34361	0.07
69.34416	0.09
69.34470	0.08
69.34525	0.05
69.34578	0.00
69.34632	0.00
69.34687	0.00
69.34742	0.00
72.07779	0.00
72.07837	0.00
72.07895	0.00
72.07953	0.00
72.08012	0.05
72.08070	0.10
72.08128	0.13
72.08186	0.13
72.08244	0.10
72.08302	0.05
72.08358	0.00
72.08417	0.00
72.08475	0.00
72.08533	0.00
73.63432	0.00
73.63492	0.00
73.63552	0.00
73.63612	0.00
73.63672	0.04
73.63732	0.07
73.63792	0.08
73.63852	0.07
73.63911	0.03
73.63948	0.00
73.64008	0.00
73.64068	0.00
73.64128	0.00
100.07064	0.00
100.07159	0.00
100.07254	0.00
100.07349	0.00
100.07444	0.06
100.07539	0.10
100.07634	0.12
100.07729	0.11
100.07824	0.06
100.07916	0.00
100.08011	0.00
100.08106	0.00
100.08201	0.00
103.35197	0.00
103.35296	0.00
103.35396	0.00
103.35496	0.00
103.35595	0.04
103.35695	0.07
103.35795	0.08
103.35894	0.07
103.35994	0.03
103.36079	0.00
103.36179	0.00
103.36278	0.00
103.36378	0.00
118.07093	0.00
118.07215	0.00
118.07337	0.00
118.07459	0.00
118.07580	0.05
118.07702	0.26
118.07824	1.08
118.07945	2.12
118.08067	2.45
118.08189	6.77
118.08310	24.17
118.08432	56.00
118.08554	90.51
118.08676	100.00
118.08797	68.56
118.08919	36.03
118.09041	10.72
118.09163	3.27
118.09284	2.19
118.09406	1.66
118.09528	0.80
118.09649	0.35
118.09771	0.00
118.09895	0.00
118.10016	0.00
118.10138	0.00
118.10260	0.00
118.10382	0.00
118.10503	0.00
118.10625	0.00
118.10747	0.00
118.10869	0.00
118.10990	0.00
118.11112	0.00
118.11234	0.00
118.11356	0.00
118.11477	0.00
118.11599	0.00
118.11721	0.00
118.11843	0.00
118.11964	0.00
118.12086	0.00
118.12208	0.00
118.12330	0.00
118.12452	0.00
118.12573	0.00
118.12695	0.00
118.12816	0.00
118.12938	0.00
118.13060	0.00
118.13181	0.00
119.08136	0.00
119.08259	0.00
119.08382	0.00
119.08505	0.00
119.08629	0.04
119.08752	0.11
119.08875	0.17
119.08998	0.20
119.09122	0.17
119.09245	0.10
119.09368	0.04
119.09492	0.00
119.09615	0.00
119.09738	0.00
119.09861	0.00
141.41185	0.00
141.41345	0.00
141.41504	0.00
141.41664	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	132.1019
Annotation	N-(3-hydroxybutan-2-yl)acetamide
Peak:m/z	Relative Intensity
49.50262	0.00
49.50295	0.00
49.50328	0.00
49.50361	0.00
51.87045	0.00
51.87080	0.00
51.87116	0.00
51.87151	0.00
51.87187	0.39
51.87222	1.01
51.87257	1.56
51.87293	1.72
51.87328	1.42
51.87364	0.85
51.87399	0.00
51.87434	0.00
51.87470	0.00
51.87505	0.00
52.20872	0.00
52.20908	0.00
52.20944	0.00
52.20980	0.00
52.21016	0.55
52.21051	1.00
52.21087	1.18
52.21123	0.99
52.21159	0.58
52.21192	0.00
52.21228	0.00
52.21264	0.00
52.21299	0.00
55.05215	0.00
55.05254	0.00
55.05292	0.00
55.05331	0.00
55.05370	0.48
55.05409	1.54
55.05447	4.37
55.05486	6.75
55.05525	6.56
55.05564	4.00
55.05602	1.58
55.05641	0.68
55.05685	0.00
55.05724	0.00
55.05763	0.00
55.05802	0.00
60.04182	0.00
60.04226	0.00
60.04270	0.00
60.04315	0.00
60.04359	0.64
60.04403	2.33
60.04447	6.08
60.04491	10.13
60.04535	12.09
60.04579	8.65
60.04623	4.61
60.04668	1.01
60.04712	0.00
60.04737	0.00
60.04781	0.00
60.04825	0.00
60.04869	0.00
72.04010	0.00
72.04068	0.00
72.04126	0.00
72.04184	0.00
72.04242	0.78
72.04300	2.78
72.04358	10.49
72.04416	23.52
72.04474	37.67
72.04532	40.61
72.04590	27.30
72.04648	13.95
72.04706	3.76
72.04764	0.76
72.04827	0.00
72.04885	0.00
72.04943	0.00
72.05001	0.00
72.07613	0.00
72.07671	0.00
72.07729	0.00
72.07787	0.00
72.07845	0.56
72.07903	1.33
72.07961	4.75
72.08019	15.80
72.08077	30.08
72.08135	43.86
72.08193	39.68
72.08251	24.33
72.08309	10.12
72.08367	2.19
72.08425	0.17
72.08491	0.00
72.08549	0.00
72.08607	0.00
72.08665	0.00
73.06069	0.00
73.06129	0.00
73.06188	0.00
73.06247	0.00
73.06306	0.98
73.06366	2.74
73.06425	8.52
73.06484	16.11
73.06543	23.48
73.06603	21.25
73.06662	12.85
73.06721	5.09
73.06780	0.60
73.06818	0.00
73.06878	0.00
73.06937	0.00
73.06996	0.00
80.05046	0.00
80.05113	0.00
80.05181	0.00
80.05249	0.00
80.05317	0.74
80.05385	1.13
80.05453	1.28
80.05521	1.08
80.05589	0.62
80.05652	0.00
80.05720	0.00
80.05788	0.00
80.05856	0.00
86.09169	0.00
86.09245	0.00
86.09320	0.00
86.09396	0.00
86.09472	0.57
86.09548	1.17
86.09624	1.70
86.09699	1.85
86.09775	1.51
86.09851	0.88
86.09933	0.00
86.10009	0.00
86.10085	0.00
86.10160	0.00
90.08361	0.00
90.08442	0.00
90.08523	0.00
90.08604	0.00
90.08685	0.79
90.08766	1.36
90.08847	2.34
90.08928	6.96
90.09009	21.78
90.09090	40.49
90.09172	57.98
90.09253	51.45
90.09334	31.45
90.09415	12.84
90.09496	2.91
90.09577	0.58
90.09648	0.00
90.09729	0.00
90.09810	0.00
90.09891	0.00
90.97157	0.00
90.97239	0.00
90.97322	0.00
90.97404	0.00
90.97486	0.55
90.97569	1.24
90.97651	1.84
90.97733	1.93
90.97815	1.43
90.97898	0.70
90.97979	0.00
90.98061	0.00
90.98144	0.00
90.98226	0.00
92.28096	0.00
92.28180	0.00
92.28265	0.00
92.28349	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28853	0.69
92.28937	1.16
92.29021	1.56
92.29106	1.42
92.29190	0.81
92.29269	0.00
92.29353	0.00
92.29437	0.00
92.29521	0.00
98.14938	0.00
98.15030	0.00
98.15122	0.00
98.15214	0.00
98.15307	0.57
98.15399	1.09
98.15491	1.43
98.15583	1.41
98.15676	1.06
98.15756	0.00
98.15848	0.00
98.15940	0.00
98.16032	0.00
112.19113	0.00
112.19226	0.00
112.19339	0.00
112.19451	0.00
112.19564	0.74
112.19677	1.35
112.19790	1.64
112.19902	1.44
112.20015	0.92
112.20126	0.00
112.20238	0.00
112.20351	0.00
112.20464	0.00
114.07895	0.00
114.08011	0.00
114.08126	0.00
114.08242	0.00
114.08358	0.71
114.08473	1.22
114.08589	1.32
114.08704	4.53
114.08820	17.42
114.08936	48.02
114.09051	80.81
114.09167	100.00
114.09282	74.71
114.09398	42.60
114.09513	13.60
114.09629	3.20
114.09745	0.37
114.09852	0.00
114.09968	0.00
114.10083	0.00
114.10199	0.00
123.95810	0.00
123.95941	0.00
123.96071	0.00
123.96202	0.00
123.96333	0.63
123.96464	1.18
123.96595	1.52
123.96726	1.44
123.96857	0.97
123.96982	0.00
123.97113	0.00
123.97244	0.00
123.97375	0.00
132.08980	0.00
132.09124	0.00
132.09268	0.00
132.09412	0.00
132.09556	0.54
132.09700	2.04
132.09844	7.86
132.09988	16.13
132.10132	24.61
132.10276	23.43
132.10420	14.65
132.10564	6.48
132.10708	1.63
132.10852	0.52
132.10987	0.00
132.11131	0.00
132.11275	0.00
132.11419	0.00
140.95659	0.00
140.95817	0.00
140.95976	0.00
140.96135	0.00
140.96294	0.72
140.96452	1.11
140.96611	1.29
140.96770	1.17
140.96929	0.79
140.97094	0.00
140.97252	0.00
140.97411	0.00
140.97570	0.00
151.53331	0.00
151.53508	0.00
151.53685	0.00
151.53862	0.00
151.54039	0.74
151.54216	1.25
151.54393	1.46
151.54570	1.23
151.54746	0.70
151.54923	0.00
151.55100	0.00
151.55277	0.00
151.55454	0.00
156.56150	0.00
156.56336	0.00
156.56522	0.00
156.56708	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
49.50262	0.00
49.50295	0.00
49.50328	0.00
49.50361	0.00
50.37457	0.00
50.37491	0.00
50.37525	0.00
50.37559	0.00
50.37593	0.02
50.37627	0.03
50.37661	0.04
50.37695	0.03
50.37729	0.02
50.37739	0.00
50.37772	0.00
50.37806	0.00
50.37840	0.00
78.03037	0.00
78.03102	0.00
78.03168	0.00
78.03233	0.00
78.03298	0.02
78.03364	0.04
78.03429	0.05
78.03494	0.05
78.03560	0.04
78.03625	0.02
78.03678	0.00
78.03744	0.00
78.03809	0.00
78.03875	0.00
92.04427	0.00
92.04511	0.00
92.04595	0.00
92.04679	0.00
92.04762	0.02
92.04846	0.06
92.04930	0.10
92.05014	0.11
92.05097	0.08
92.05181	0.04
92.05265	0.01
92.05348	0.00
92.05432	0.00
92.05515	0.00
92.05599	0.00
93.05174	0.00
93.05259	0.00
93.05345	0.00
93.05430	0.00
93.05515	0.01
93.05600	0.04
93.05685	0.08
93.05770	0.11
93.05856	0.10
93.05941	0.07
93.06026	0.04
93.06106	0.00
93.06191	0.00
93.06276	0.00
93.06361	0.00
94.05763	0.00
94.05850	0.00
94.05936	0.00
94.06023	0.00
94.06109	0.02
94.06196	0.06
94.06282	0.28
94.06369	0.93
94.06455	1.65
94.06542	2.23
94.06629	1.81
94.06715	1.07
94.06802	0.39
94.06888	0.11
94.06975	0.05
94.07061	0.03
94.07150	0.00
94.07237	0.00
94.07323	0.00
94.07410	0.00
96.03781	0.00
96.03870	0.00
96.03959	0.00
96.04048	0.00
96.04138	0.03
96.04227	0.06
96.04316	0.17
96.04405	0.28
96.04495	0.34
96.04584	0.25
96.04673	0.14
96.04763	0.04
96.04852	0.02
96.04940	0.00
96.05030	0.00
96.05119	0.00
96.05208	0.00
97.07090	0.00
97.07181	0.00
97.07272	0.00
97.07362	0.00
97.07453	0.02
97.07544	0.05
97.07635	0.07
97.07725	0.06
97.07816	0.04
97.07900	0.00
97.07991	0.00
97.08082	0.00
97.08173	0.00
104.43473	0.00
104.43574	0.00
104.43675	0.00
104.43777	0.00
104.43878	0.03
104.43979	0.05
104.44080	0.05
104.44182	0.05
104.44283	0.03
104.44388	0.00
104.44489	0.00
104.44590	0.00
104.44691	0.00
110.05027	0.00
110.05137	0.00
110.05246	0.00
110.05356	0.00
110.05465	0.03
110.05575	0.06
110.05684	0.23
110.05794	0.76
110.05903	1.39
110.06013	1.96
110.06123	1.70
110.06232	1.03
110.06342	0.40
110.06451	0.09
110.06561	0.02
110.06656	0.00
110.06765	0.00
110.06875	0.00
110.06984	0.00
116.83220	0.00
116.83339	0.00
116.83459	0.00
116.83579	0.00
116.83699	0.02
116.83818	0.04
116.83938	0.05
116.84058	0.05
116.84178	0.03
116.84294	0.00
116.84414	0.00
116.84534	0.00
116.84653	0.00
121.03148	0.00
121.03275	0.00
121.03401	0.00
121.03527	0.00
121.03654	0.02
121.03780	0.05
121.03906	0.06
121.04033	0.07
121.04159	0.05
121.04285	0.03
121.04403	0.00
121.04530	0.00
121.04656	0.00
121.04782	0.00
130.55245	0.00
130.55386	0.00
130.55528	0.00
130.55669	0.00
130.55811	0.03
130.55952	0.04
130.56094	0.05
130.56235	0.04
130.56377	0.03
130.56517	0.00
130.56659	0.00
130.56800	0.00
130.56942	0.00
131.96456	0.00
131.96600	0.00
131.96743	0.00
131.96887	0.00
131.97031	0.01
131.97175	0.04
131.97319	0.05
131.97462	0.05
131.97606	0.03
131.97745	0.00
131.97889	0.00
131.98032	0.00
131.98176	0.00
138.01748	0.00
138.01902	0.00
138.02055	0.00
138.02209	0.00
138.02363	0.00
138.02517	0.00
138.02671	0.00
138.02824	0.00
138.02978	0.00
138.03132	0.00
138.03286	0.00
138.03440	0.00
138.03594	0.00
138.03747	0.44
138.03901	0.00
138.04057	0.00
138.04211	0.23
138.04364	0.67
138.04518	1.62
138.04672	2.08
138.04826	3.41
138.04980	11.42
138.05134	37.69
138.05288	70.09
138.05441	100.00
138.05595	87.66
138.05749	53.57
138.05903	22.14
138.06057	6.17
138.06211	2.32
138.06365	2.10
138.06518	1.12
138.06672	0.47
138.06826	0.11
138.06980	0.00
138.07132	0.00
138.07286	0.00
138.07440	0.00
138.07594	0.00
138.07748	0.00
138.07902	0.00
138.08056	0.00
138.08210	0.00
138.08364	0.00
138.08517	0.00
138.08671	0.00
138.08825	0.00
138.08979	0.00
138.09133	0.00
138.09287	0.00
138.09441	0.00
138.09595	0.00
138.09679	0.16
138.09833	0.51
138.09987	0.94
138.10141	1.37
138.10295	1.14
138.10449	0.66
138.10603	0.24
138.10757	0.07
138.10911	0.04
138.11124	0.00
138.11278	0.00
138.11432	0.00
138.11586	0.00
139.04430	0.00
139.04586	0.00
139.04741	0.00
139.04897	0.00
139.05052	0.02
139.05208	0.05
139.05363	0.18
139.05519	0.52
139.05674	0.89
139.05830	1.11
139.05985	0.84
139.06141	0.48
139.06297	0.16
139.06452	0.05
139.06608	0.01
139.06772	0.00
139.06928	0.00
139.07083	0.00
139.07239	0.00
139.07706	0.00
139.07861	0.00
139.08017	0.00
139.08172	0.00
139.08328	0.04
139.08484	0.05
139.08639	0.06
139.08795	0.05
139.08950	0.03
139.09106	0.00
139.09261	0.00
139.09417	0.00
139.09573	0.00
147.81489	0.00
147.81659	0.00
147.81830	0.00
147.82000	0.00
147.82171	0.02
147.82341	0.04
147.82512	0.06
147.82682	0.06
147.82853	0.04
147.83026	0.00
147.83196	0.00
147.83367	0.00
147.83537	0.00
154.03742	0.00
154.03923	0.00
154.04104	0.00
154.04286	0.00
154.04467	0.02
154.04648	0.05
154.04830	0.09
154.05011	0.10
154.05192	0.08
154.05374	0.05
154.05555	0.01
154.05736	0.00
154.05918	0.00
154.06099	0.00
154.06281	0.00
161.61195	0.00
161.61390	0.00
161.61585	0.00
161.61780	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	139.0501
Annotation	2-Pyrimidine Acetic Acid
Peak:m/z	Relative Intensity
49.50257	0.00
49.50290	0.00
49.50323	0.00
49.50356	0.00
58.56516	0.00
58.56559	0.00
58.56601	0.00
58.56644	0.00
58.56686	0.13
58.56729	0.19
58.56771	0.21
58.56814	0.18
58.56856	0.11
58.56885	0.00
58.56928	0.00
58.56970	0.00
58.57013	0.00
74.09317	0.00
74.09377	0.00
74.09438	0.00
74.09498	0.00
74.09559	0.10
74.09619	0.19
74.09680	0.25
74.09740	0.24
74.09801	0.15
74.09851	0.00
74.09911	0.00
74.09972	0.00
74.10032	0.00
85.79093	0.00
85.79169	0.00
85.79244	0.00
85.79319	0.00
85.79395	0.17
85.79470	0.27
85.79546	0.30
85.79621	0.25
85.79696	0.14
85.79751	0.00
85.79826	0.00
85.79901	0.00
85.79977	0.00
93.03802	0.00
93.03887	0.00
93.03972	0.00
93.04057	0.00
93.04142	0.01
93.04227	0.31
93.04313	1.28
93.04398	2.43
93.04483	3.46
93.04568	2.96
93.04653	1.77
93.04738	0.70
93.04823	0.18
93.04919	0.00
93.05005	0.00
93.05090	0.00
93.05175	0.00
97.59376	0.00
97.59468	0.00
97.59559	0.00
97.59650	0.00
97.59742	0.13
97.59833	0.23
97.59925	0.26
97.60016	0.21
97.60108	0.10
97.60198	0.00
97.60289	0.00
97.60381	0.00
97.60472	0.00
99.41493	0.00
99.41587	0.00
99.41681	0.00
99.41775	0.00
99.41869	0.16
99.41963	0.25
99.42057	0.29
99.42151	0.24
99.42245	0.15
99.42320	0.00
99.42414	0.00
99.42508	0.00
99.42602	0.00
121.02395	0.00
121.02522	0.00
121.02648	0.00
121.02774	0.00
121.02901	0.21
121.03027	0.64
121.03153	1.54
121.03279	2.41
121.03406	2.89
121.03532	8.45
121.03658	29.80
121.03785	62.77
121.03911	98.12
121.04037	100.00
121.04164	65.14
121.04290	32.03
121.04416	9.16
121.04543	2.90
121.04669	2.20
121.04795	1.34
121.04922	0.40
121.05048	0.27
121.05174	0.00
121.05301	0.00
121.05428	0.00
121.05554	0.00
121.05681	0.00
121.06691	0.00
121.06818	0.00
121.06944	0.00
121.07070	0.00
121.07197	0.00
121.07323	0.00
121.07449	0.00
121.07576	0.00
121.07702	0.00
121.07829	0.00
121.07955	0.00
121.08053	0.00
121.08180	0.00
121.08306	0.00
121.08432	0.00
139.03656	0.00
139.03811	0.00
139.03967	0.00
139.04122	0.00
139.04278	0.04
139.04433	0.27
139.04589	1.33
139.04744	3.25
139.04900	5.33
139.05055	5.86
139.05211	3.99
139.05367	2.07
139.05522	0.62
139.05678	0.25
139.05833	0.25
139.06001	0.43
139.06157	0.19
139.06312	0.00
139.06468	0.00
139.06623	0.00
139.06779	0.00
139.07401	0.00
139.07557	0.00
139.07712	0.00
139.07868	0.00
139.08023	0.03
139.08179	0.49
139.08335	1.86
139.08490	3.35
139.08646	4.35
139.08801	3.28
139.08957	1.91
139.09113	0.60
139.09268	0.30
139.09424	0.79
139.09579	1.53
139.09735	2.06
139.09891	1.78
139.10046	0.95
139.10202	0.30
139.10357	0.11
139.10513	0.00
139.10669	0.00
139.10824	0.00
139.10980	0.00
139.11136	0.00
139.11291	0.00
139.11447	0.00
139.11602	0.00
139.11758	0.08
139.11914	0.23
139.12069	0.47
139.12225	0.65
139.12381	0.66
139.12536	0.49
139.12692	0.27
139.12848	0.11
139.13003	0.00
139.13159	0.00
139.13315	0.00
139.13470	0.00
161.61200	0.00
161.61395	0.00
161.61590	0.00
161.61785	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	142.0974
Annotation	L-Histidinol
Peak:m/z	Relative Intensity
49.50261	0.00
49.50294	0.00
49.50327	0.00
49.50361	0.00
51.44082	0.00
51.44117	0.00
51.44152	0.00
51.44187	0.00
51.44222	0.07
51.44257	0.12
51.44292	0.15
51.44327	0.14
51.44362	0.10
51.44396	0.00
51.44431	0.00
51.44466	0.00
51.44501	0.00
52.89089	0.00
52.89126	0.00
52.89162	0.00
52.89199	0.00
52.89235	0.09
52.89272	0.14
52.89308	0.15
52.89344	0.12
52.89381	0.06
52.89415	0.00
52.89451	0.00
52.89488	0.00
52.89524	0.00
56.04761	0.00
56.04801	0.00
56.04841	0.00
56.04881	0.00
56.04920	0.10
56.04960	0.21
56.05000	0.30
56.05040	0.32
56.05080	0.25
56.05119	0.13
56.05159	0.05
56.05197	0.00
56.05237	0.00
56.05277	0.00
56.05317	0.00
58.06335	0.00
58.06377	0.00
58.06419	0.00
58.06461	0.00
58.06503	0.08
58.06545	0.16
58.06587	0.21
58.06629	0.21
58.06671	0.15
58.06713	0.07
58.06750	0.00
58.06792	0.00
58.06834	0.00
58.06876	0.00
60.04168	0.00
60.04212	0.00
60.04256	0.00
60.04300	0.00
60.04345	0.01
60.04389	0.16
60.04433	0.55
60.04477	0.97
60.04521	1.23
60.04565	0.92
60.04609	0.51
60.04653	0.14
60.04698	0.08
60.04740	0.00
60.04784	0.00
60.04828	0.00
60.04872	0.00
65.93678	0.00
65.93728	0.00
65.93779	0.00
65.93830	0.00
65.93881	0.06
65.93932	0.12
65.93982	0.14
65.94033	0.12
65.94084	0.06
65.94134	0.00
65.94185	0.00
65.94236	0.00
65.94286	0.00
66.85014	0.00
66.85066	0.00
66.85118	0.00
66.85170	0.00
66.85222	0.06
66.85273	0.11
66.85325	0.14
66.85377	0.13
66.85429	0.08
66.85479	0.00
66.85531	0.00
66.85583	0.00
66.85635	0.00
69.04116	0.00
69.04170	0.00
69.04225	0.00
69.04279	0.00
69.04333	0.06
69.04388	0.15
69.04442	0.47
69.04497	0.82
69.04551	1.00
69.04606	0.70
69.04660	0.36
69.04714	0.07
69.04766	0.00
69.04821	0.00
69.04875	0.00
69.04929	0.00
72.07837	0.00
72.07895	0.00
72.07953	0.00
72.08011	0.00
72.08069	0.12
72.08127	0.19
72.08185	0.21
72.08243	0.17
72.08301	0.10
72.08352	0.00
72.08410	0.00
72.08468	0.00
72.08526	0.00
80.04636	0.00
80.04704	0.00
80.04772	0.00
80.04840	0.00
80.04908	0.13
80.04976	0.20
80.05044	0.21
80.05112	0.16
80.05180	0.08
80.05250	0.00
80.05318	0.00
80.05386	0.00
80.05454	0.00
81.03778	0.00
81.03847	0.00
81.03916	0.00
81.03985	0.00
81.04055	0.00
81.04124	0.42
81.04193	0.64
81.04262	1.83
81.04331	6.35
81.04401	17.64
81.04470	29.79
81.04539	37.22
81.04608	27.98
81.04677	16.01
81.04747	5.08
81.04816	1.32
81.04885	0.48
81.04954	0.44
81.05023	0.13
81.05093	0.00
81.05165	0.00
81.05235	0.00
81.05304	0.00
81.05373	0.00
83.05440	0.00
83.05512	0.00
83.05583	0.00
83.05655	0.00
83.05727	0.06
83.05799	0.19
83.05871	0.67
83.05942	2.15
83.06014	4.02
83.06086	5.79
83.06158	5.14
83.06230	3.15
83.06301	1.30
83.06373	0.30
83.06445	0.07
83.06501	0.00
83.06572	0.00
83.06644	0.00
83.06716	0.00
95.05191	0.00
95.05278	0.00
95.05366	0.00
95.05454	0.00
95.05542	0.09
95.05630	0.20
95.05718	0.44
95.05806	1.57
95.05894	5.03
95.05982	9.09
95.06070	12.53
95.06158	10.46
95.06245	6.27
95.06333	2.37
95.06421	0.62
95.06509	0.22
95.06595	0.22
95.06683	0.12
95.06771	0.07
95.06858	0.00
95.06946	0.00
95.07034	0.00
95.07122	0.00
95.33379	0.00
95.33467	0.00
95.33555	0.00
95.33644	0.00
95.33732	0.10
95.33820	0.16
95.33909	0.17
95.33997	0.13
95.34085	0.06
95.34169	0.00
95.34257	0.00
95.34345	0.00
95.34434	0.00
97.06907	0.00
97.06998	0.00
97.07088	0.00
97.07179	0.00
97.07270	0.02
97.07360	0.23
97.07451	0.73
97.07542	1.26
97.07633	1.65
97.07723	1.30
97.07814	0.76
97.07905	0.26
97.07996	0.04
97.08085	0.00
97.08176	0.00
97.08266	0.00
97.08357	0.00
99.04826	0.00
99.04920	0.00
99.05013	0.00
99.05107	0.00
99.05200	0.04
99.05294	0.30
99.05387	0.93
99.05481	1.61
99.05574	2.03
99.05668	1.55
99.05761	0.91
99.05855	0.30
99.05948	0.09
99.06042	0.00
99.06136	0.00
99.06229	0.00
99.06323	0.00
107.05225	0.00
107.05330	0.00
107.05435	0.00
107.05540	0.00
107.05645	0.10
107.05750	0.42
107.05855	1.33
107.05960	2.35
107.06065	3.15
107.06170	2.54
107.06275	1.49
107.06380	0.52
107.06485	0.10
107.06571	0.00
107.06676	0.00
107.06781	0.00
107.06887	0.00
124.06024	0.00
124.06155	0.00
124.06286	0.00
124.06418	0.00
124.06549	0.00
124.06680	0.00
124.06811	0.00
124.06942	0.00
124.07073	0.00
124.07210	0.00
124.07341	0.00
124.07472	0.00
124.07604	0.26
124.07735	0.49
124.07866	1.51
124.07997	2.38
124.08128	3.39
124.08259	10.17
124.08390	34.05
124.08521	66.75
124.08652	100.00
124.08783	94.37
124.08915	59.31
124.09046	26.82
124.09177	7.29
124.09308	2.45
124.09439	2.24
124.09570	1.48
124.09701	0.70
124.09832	0.15
124.09964	0.00
124.10088	0.00
124.10220	0.00
124.10351	0.00
124.10482	0.00
124.10613	0.00
124.10744	0.00
124.10874	0.00
124.11006	0.00
124.11137	0.00
124.11268	0.00
125.05444	0.00
125.05576	0.00
125.05709	0.00
125.05842	0.00
125.05974	0.00
125.06107	0.00
125.06240	0.00
125.06373	0.27
125.06506	0.38
125.06639	1.24
125.06771	4.37
125.06904	8.95
125.07037	13.79
125.07169	13.63
125.07302	8.74
125.07435	4.16
125.07567	1.13
125.07700	0.31
125.07833	0.20
125.07965	0.08
125.08097	0.00
125.08230	0.00
125.08362	0.00
125.08495	0.00
125.08628	0.10
125.08760	0.22
125.08893	0.59
125.09026	0.72
125.09159	0.47
125.09291	0.19
125.09424	0.07
125.09547	0.00
125.09679	0.00
125.09812	0.00
125.09945	0.00
136.70731	0.00
136.70883	0.00
136.71034	0.00
136.71186	0.00
136.71337	0.06
136.71489	0.13
136.71641	0.18
136.71792	0.16
136.71944	0.10
136.72095	0.00
136.72246	0.00
136.72398	0.00
136.72550	0.00
137.90990	0.00
137.91144	0.00
137.91297	0.00
137.91451	0.00
137.91604	0.08
137.91758	0.14
137.91912	0.16
137.92065	0.14
137.92219	0.08
137.92376	0.00
137.92530	0.00
137.92684	0.00
137.92837	0.00
142.03746	0.00
142.03906	0.00
142.04067	0.00
142.04227	0.00
142.04388	0.08
142.04548	0.22
142.04709	0.58
142.04870	0.96
142.05030	1.10
142.05191	0.75
142.05351	0.39
142.05512	0.06
142.05673	0.00
142.05833	0.00
142.05994	0.00
142.06154	0.00
142.06476	0.00
142.06636	0.00
142.06797	0.00
142.06957	0.00
142.07118	0.00
142.07279	0.00
142.07439	0.00
142.07600	0.00
142.07761	0.00
142.07930	0.00
142.08091	0.00
142.08251	0.00
142.08412	0.06
142.08573	0.48
142.08733	1.03
142.08894	1.36
142.09054	2.05
142.09215	6.25
142.09376	20.34
142.09536	38.33
142.09697	55.53
142.09858	49.85
142.10018	30.68
142.10179	12.98
142.10340	3.39
142.10500	1.07
142.10661	0.99
142.10822	0.57
142.10983	0.24
142.11143	0.00
142.11295	0.00
142.11456	0.00
142.11617	0.00
142.11777	0.00
142.11938	0.00
142.12099	0.00
142.12259	0.00
142.12420	0.00
142.12580	0.00
142.12741	0.00
142.12901	0.00
142.13062	0.00
143.09016	0.00
143.09179	0.00
143.09341	0.00
143.09503	0.00
143.09666	0.08
143.09828	0.20
143.09990	0.30
143.10153	0.33
143.10315	0.25
143.10478	0.13
143.10640	0.05
143.10805	0.00
143.10967	0.00
143.11129	0.00
143.11292	0.00
160.12183	0.00
160.12375	0.00
160.12567	0.00
160.12760	0.00
160.12952	0.08
160.13144	0.14
160.13336	0.17
160.13528	0.16
160.13721	0.10
160.13913	0.00
160.14105	0.00
160.14297	0.00
160.14489	0.00
166.66369	0.00
166.66573	0.00
166.66777	0.00
166.66981	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	160.1807
Annotation	sym-Homospermidine
Peak:m/z	Relative Intensity
49.50249	0.00
49.50282	0.00
49.50315	0.00
49.50348	0.00
72.07436	0.00
72.07494	0.00
72.07552	0.00
72.07610	0.00
72.07668	0.19
72.07726	0.40
72.07784	1.55
72.07842	2.42
72.07900	3.75
72.07958	11.23
72.08017	36.30
72.08075	68.71
72.08133	100.00
72.08191	90.38
72.08249	55.73
72.08307	23.73
72.08365	6.08
72.08423	1.82
72.08481	1.73
72.08539	1.00
72.08593	1.16
72.08651	0.00
72.08702	0.00
72.08760	0.00
72.08818	0.00
72.08876	0.00
89.10147	0.00
89.10227	0.00
89.10307	0.00
89.10386	0.00
89.10466	0.18
89.10546	0.85
89.10626	2.59
89.10705	4.50
89.10785	5.86
89.10865	4.57
89.10945	2.66
89.11025	0.82
89.11104	0.13
89.11167	0.00
89.11246	0.00
89.11326	0.00
89.11406	0.00
100.06970	0.00
100.07065	0.00
100.07160	0.00
100.07255	0.00
100.07350	0.29
100.07445	0.54
100.07540	0.69
100.07635	0.63
100.07730	0.41
100.07825	0.16
100.07910	0.00
100.08005	0.00
100.08100	0.00
100.08195	0.00
110.87613	0.00
110.87724	0.00
110.87835	0.00
110.87946	0.00
110.88056	0.19
110.88167	0.36
110.88278	0.43
110.88389	0.38
110.88499	0.23
110.88607	0.00
110.88718	0.00
110.88829	0.00
110.88940	0.00
114.08474	0.00
114.08589	0.00
114.08705	0.00
114.08821	0.00
114.08936	0.29
114.09052	0.50
114.09167	0.58
114.09283	0.45
114.09399	0.22
114.09506	0.00
114.09622	0.00
114.09737	0.00
114.09853	0.00
123.38411	0.00
123.38541	0.00
123.38671	0.00
123.38801	0.00
123.38931	0.20
123.39061	0.35
123.39191	0.42
123.39321	0.35
123.39451	0.20
123.39580	0.00
123.39710	0.00
123.39840	0.00
123.39970	0.00
126.11572	0.00
126.11707	0.00
126.11841	0.00
126.11975	0.00
126.12110	0.31
126.12244	0.74
126.12379	2.80
126.12513	8.12
126.12647	13.77
126.12782	17.23
126.12916	12.90
126.13050	7.29
126.13185	2.22
126.13319	0.50
126.13453	0.10
126.13581	0.00
126.13715	0.00
126.13850	0.00
126.13984	0.00
143.14055	0.00
143.14218	0.00
143.14380	0.00
143.14543	0.00
143.14705	0.07
143.14867	0.44
143.15030	1.66
143.15192	3.22
143.15355	4.76
143.15517	4.37
143.15680	2.68
143.15842	1.15
143.16005	0.23
143.16168	0.00
143.16330	0.00
143.16493	0.00
143.16655	0.00
160.06230	0.00
160.06422	0.00
160.06614	0.00
160.06806	0.00
160.06998	0.28
160.07190	0.62
160.07383	0.95
160.07575	1.03
160.07767	0.79
160.07959	0.39
160.08151	0.13
160.08354	0.00
160.08546	0.00
160.08738	0.00
160.08930	0.00
160.16042	0.00
160.16234	0.00
160.16426	0.00
160.16618	0.00
160.16811	0.28
160.17003	0.66
160.17195	0.87
160.17387	2.32
160.17580	7.81
160.17772	16.22
160.17964	25.18
160.18157	25.23
160.18349	16.22
160.18541	7.74
160.18733	2.02
160.18926	0.53
160.19118	0.43
160.19310	0.26
160.19503	0.00
160.19695	0.00
160.19887	0.00
160.20080	0.00
181.81440	0.00
181.81673	0.00
181.81905	0.00
181.82138	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	169.0493
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
49.50256	0.00
49.50289	0.00
49.50322	0.00
49.50355	0.00
59.05840	0.00
59.05883	0.00
59.05926	0.00
59.05970	0.00
59.06013	0.41
59.06056	0.82
59.06099	1.13
59.06142	1.13
59.06185	0.81
59.06228	0.41
59.06249	0.00
59.06292	0.00
59.06335	0.00
59.06378	0.00
84.18502	0.00
84.18576	0.00
84.18649	0.00
84.18722	0.00
84.18795	0.28
84.18869	0.45
84.18942	0.56
84.19015	0.53
84.19089	0.37
84.19156	0.00
84.19229	0.00
84.19303	0.00
84.19376	0.00
90.91809	0.00
90.91892	0.00
90.91974	0.00
90.92056	0.00
90.92138	0.38
90.92221	0.57
90.92303	0.62
90.92385	0.48
90.92467	0.26
90.92532	0.00
90.92614	0.00
90.92696	0.00
90.92779	0.00
111.00026	0.00
111.00137	0.00
111.00248	0.00
111.00359	0.00
111.00470	0.16
111.00581	0.49
111.00692	0.84
111.00803	0.93
111.00914	0.69
111.01025	0.33
111.01089	0.00
111.01200	0.00
111.01311	0.00
111.01422	0.00
126.02139	0.00
126.02273	0.00
126.02408	0.00
126.02542	0.00
126.02676	0.39
126.02810	1.70
126.02944	3.18
126.03079	4.40
126.03213	3.65
126.03347	2.16
126.03481	0.81
126.03615	0.30
126.03767	0.00
126.03901	0.00
126.04036	0.00
126.04170	0.00
141.03437	0.00
141.03596	0.00
141.03755	0.00
141.03913	0.00
141.04072	0.09
141.04231	0.77
141.04390	0.79
141.04549	1.22
141.04708	1.38
141.04867	4.26
141.05026	15.83
141.05184	35.71
141.05343	57.23
141.05502	61.54
141.05661	41.41
141.05820	21.27
141.05979	6.16
141.06138	1.93
141.06297	1.53
141.06456	1.41
141.06615	0.92
141.06774	0.05
141.06942	0.00
141.07101	0.00
141.07260	0.00
141.07419	0.00
151.07608	0.00
151.07784	0.00
151.07960	0.00
151.08137	0.00
151.08313	0.37
151.08489	0.76
151.08665	0.94
151.08841	0.76
151.09017	0.40
151.09197	0.00
151.09373	0.00
151.09549	0.00
151.09725	0.00
169.02325	0.00
169.02533	0.00
169.02742	0.00
169.02950	0.00
169.03159	0.00
169.03367	0.00
169.03575	0.00
169.03783	2.08
169.03992	2.72
169.04200	8.66
169.04409	30.77
169.04617	64.00
169.04826	99.51
169.05034	100.00
169.05243	64.64
169.05451	31.38
169.05660	8.87
169.05868	2.81
169.06077	2.18
169.06285	1.37
169.06494	0.43
169.06703	0.00
169.06911	0.00
169.07120	0.00
169.07328	0.00
169.07954	0.00
169.08162	0.00
169.08371	0.00
169.08579	0.00
169.08788	0.00
169.08997	0.00
169.09205	0.00
169.09414	0.00
169.09622	0.00
169.09831	0.00
169.10039	0.00
169.10248	0.00
169.10457	0.00
169.10665	0.00
169.10874	0.00
169.11917	0.00
169.12125	0.00
169.12334	0.00
169.12543	0.00
169.12751	0.39
169.12960	0.91
169.13169	1.71
169.13377	2.21
169.13586	1.29
169.13794	0.72
169.14003	0.27
169.14216	0.00
169.14425	0.00
169.14634	0.00
169.14842	0.00
175.47849	0.00
175.48070	0.00
175.48290	0.00
175.48511	0.00
175.48731	0.28
175.48952	0.48
175.49172	0.57
175.49393	0.50
175.49613	0.31
175.49837	0.00
175.50057	0.00
175.50278	0.00
175.50498	0.00
185.95795	0.00
185.96036	0.00
185.96276	0.00
185.96517	0.00
185.96757	0.31
185.96998	0.49
185.97238	0.57
185.97479	0.51
185.97720	0.34
185.97960	0.00
185.98201	0.00
185.98441	0.00
185.98682	0.00
191.91588	0.00
191.91840	0.00
191.92092	0.00
191.92344	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	170.081
Annotation	Pyridoxine (Vitamin B6)
Peak:m/z	Relative Intensity
49.50256	0.00
49.50289	0.00
49.50322	0.00
49.50355	0.00
58.79368	0.00
58.79411	0.00
58.79454	0.00
58.79497	0.00
58.79539	0.49
58.79582	0.89
58.79625	1.02
58.79668	0.73
58.79710	0.26
58.79749	0.00
58.79791	0.00
58.79834	0.00
58.79877	0.00
64.00912	0.00
64.00961	0.00
64.01009	0.00
64.01058	0.00
64.01107	0.45
64.01155	0.84
64.01204	1.08
64.01252	1.01
64.01301	0.68
64.01341	0.00
64.01389	0.00
64.01438	0.00
64.01487	0.00
73.96568	0.00
73.96628	0.00
73.96688	0.00
73.96749	0.00
73.96809	0.59
73.96869	0.88
73.96930	0.97
73.96990	0.82
73.97050	0.51
73.97096	0.00
73.97156	0.00
73.97217	0.00
73.97277	0.00
90.97816	0.00
90.97898	0.00
90.97980	0.00
90.98063	0.00
90.98145	0.44
90.98227	0.91
90.98310	1.13
90.98392	0.92
90.98474	0.41
90.98523	0.00
90.98606	0.00
90.98688	0.00
90.98770	0.00
128.94044	0.00
128.94183	0.00
128.94321	0.00
128.94460	0.00
128.94599	0.49
128.94738	1.29
128.94877	2.87
128.95016	4.41
128.95155	4.11
128.95294	1.86
128.95433	0.78
128.95579	0.00
128.95717	0.00
128.95856	0.00
128.95995	0.00
134.04817	0.00
134.04965	0.00
134.05112	0.00
134.05259	0.00
134.05406	0.58
134.05554	1.02
134.05701	3.80
134.05848	6.79
134.05995	8.85
134.06142	6.75
134.06290	3.81
134.06437	1.07
134.06584	0.21
134.06691	0.00
134.06838	0.00
134.06986	0.00
134.07133	0.00
146.94915	0.00
146.95084	0.00
146.95253	0.00
146.95422	0.00
146.95591	0.86
146.95760	3.47
146.95929	6.27
146.96098	8.25
146.96267	6.27
146.96436	3.54
146.96605	1.03
146.96774	0.49
146.96967	0.00
146.97136	0.00
146.97305	0.00
146.97474	0.00
148.46483	0.00
148.46654	0.00
148.46826	0.00
148.46998	0.00
148.47169	0.64
148.47341	1.00
148.47512	1.12
148.47684	0.91
148.47856	0.50
148.48032	0.00
148.48203	0.00
148.48375	0.00
148.48546	0.00
152.05128	0.00
152.05306	0.00
152.05484	0.00
152.05662	0.00
152.05839	0.68
152.06017	1.74
152.06195	2.05
152.06373	5.82
152.06551	21.16
152.06729	52.45
152.06907	86.33
152.07085	100.00
152.07262	70.81
152.07440	38.37
152.07618	11.58
152.07796	3.13
152.07974	1.51
152.08152	0.79
152.08338	0.00
152.08515	0.00
152.08693	0.00
152.08871	0.00
164.28940	0.00
164.29140	0.00
164.29340	0.00
164.29539	0.00
164.29739	0.64
164.29939	1.13
164.30139	1.34
164.30338	1.10
164.30538	0.58
164.30737	0.00
164.30937	0.00
164.31137	0.00
164.31336	0.00
170.06188	0.00
170.06399	0.00
170.06609	0.00
170.06819	0.00
170.07030	0.39
170.07240	1.42
170.07451	5.65
170.07661	17.99
170.07871	31.66
170.08082	42.01
170.08292	33.06
170.08502	19.37
170.08713	6.54
170.08923	1.90
170.09134	1.04
170.09344	0.99
170.09552	1.39
170.09762	0.00
170.09973	0.00
170.10183	0.00
170.10393	0.00
170.10604	0.00
170.10814	0.00
170.11025	0.00
170.11235	0.71
170.11446	1.17
170.11656	1.35
170.11867	1.00
170.12077	0.31
170.12290	0.00
170.12501	0.00
170.12711	0.00
170.12922	0.00
179.94073	0.00
179.94302	0.00
179.94531	0.00
179.94760	0.00
179.94989	0.53
179.95218	1.03
179.95447	1.26
179.95676	1.02
179.95905	0.48
179.96134	0.00
179.96363	0.00
179.96592	0.00
179.96821	0.00
191.91583	0.00
191.91835	0.00
191.92088	0.00
191.92340	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	180.1017
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
49.50257	0.00
49.50290	0.00
49.50324	0.00
49.50357	0.00
56.16681	0.00
56.16721	0.00
56.16761	0.00
56.16800	0.00
56.16840	0.03
56.16880	0.05
56.16920	0.05
56.16960	0.04
56.17000	0.02
56.17040	0.00
56.17080	0.00
56.17119	0.00
56.17159	0.00
56.61870	0.00
56.61910	0.00
56.61950	0.00
56.61991	0.00
56.62031	0.02
56.62072	0.04
56.62112	0.05
56.62153	0.04
56.62193	0.02
56.62233	0.00
56.62273	0.00
56.62314	0.00
56.62354	0.00
56.94051	0.00
56.94092	0.00
56.94133	0.00
56.94174	0.00
56.94214	0.03
56.94255	0.05
56.94296	0.06
56.94337	0.05
56.94377	0.03
56.94417	0.00
56.94458	0.00
56.94499	0.00
56.94539	0.00
58.06125	0.00
58.06167	0.00
58.06209	0.00
58.06251	0.00
58.06293	0.03
58.06335	0.06
58.06377	0.07
58.06419	0.06
58.06461	0.00
58.06503	0.00
58.06545	0.08
58.06587	0.19
58.06629	0.28
58.06671	0.23
58.06713	0.08
58.06755	0.03
58.06795	0.00
58.06837	0.00
58.06879	0.00
58.06921	0.00
60.07836	0.00
60.07880	0.00
60.07924	0.00
60.07968	0.00
60.08012	0.03
60.08057	0.10
60.08101	0.21
60.08145	0.30
60.08189	0.26
60.08233	0.15
60.08277	0.05
60.08322	0.03
60.08355	0.00
60.08399	0.00
60.08443	0.00
60.08487	0.00
72.93334	0.00
72.93393	0.00
72.93452	0.00
72.93512	0.00
72.93571	0.02
72.93630	0.06
72.93689	0.15
72.93748	0.25
72.93807	0.25
72.93866	0.16
72.93925	0.07
72.93984	0.03
72.94028	0.00
72.94087	0.00
72.94146	0.00
72.94206	0.00
90.19064	0.00
90.19145	0.00
90.19226	0.00
90.19308	0.00
90.19389	0.04
90.19470	0.05
90.19551	0.06
90.19633	0.05
90.19714	0.03
90.19795	0.00
90.19876	0.00
90.19958	0.00
90.20039	0.00
90.21664	0.00
90.21746	0.00
90.21827	0.00
90.21908	0.00
90.21989	0.03
90.22071	0.05
90.22152	0.06
90.22233	0.06
90.22315	0.04
90.22395	0.00
90.22477	0.00
90.22558	0.00
90.22639	0.00
90.94276	0.00
90.94358	0.00
90.94440	0.00
90.94522	0.00
90.94605	0.01
90.94687	0.05
90.94769	0.08
90.94852	0.10
90.94934	0.08
90.95016	0.04
90.95097	0.00
90.95179	0.00
90.95262	0.00
90.95344	0.00
92.28347	0.00
92.28431	0.00
92.28515	0.00
92.28599	0.00
92.28684	0.00
92.28768	0.00
92.28852	0.00
92.28936	0.00
92.29020	0.00
92.29104	0.00
92.29191	0.00
92.29275	0.00
92.29359	0.00
92.29444	0.00
96.98849	0.00
96.98940	0.00
96.99030	0.00
96.99121	0.00
96.99212	0.02
96.99302	0.11
96.99393	0.33
96.99483	0.57
96.99574	0.73
96.99665	0.55
96.99755	0.31
96.99846	0.09
96.99936	0.01
97.00013	0.00
97.00103	0.00
97.00194	0.00
97.00285	0.00
105.02642	0.00
105.02744	0.00
105.02846	0.00
105.02948	0.00
105.03050	0.02
105.03152	0.05
105.03254	0.10
105.03356	0.13
105.03458	0.12
105.03561	0.08
105.03663	0.03
105.03761	0.00
105.03863	0.00
105.03965	0.00
105.04067	0.00
109.25082	0.00
109.25190	0.00
109.25298	0.00
109.25407	0.00
109.25515	0.04
109.25623	0.06
109.25732	0.06
109.25840	0.05
109.25948	0.02
109.26062	0.00
109.26170	0.00
109.26279	0.00
109.26387	0.00
113.95432	0.00
113.95547	0.00
113.95663	0.00
113.95778	0.00
113.95894	0.04
113.96009	0.16
113.96124	0.59
113.96240	1.18
113.96355	1.79
113.96471	1.71
113.96586	1.08
113.96701	0.49
113.96817	0.12
113.96932	0.03
113.97038	0.00
113.97153	0.00
113.97269	0.00
113.97384	0.00
113.97494	0.00
113.97610	0.00
113.97725	0.00
113.97840	0.00
120.00371	0.00
120.00496	0.00
120.00621	0.00
120.00745	0.00
120.00870	0.03
120.00995	0.07
120.01119	0.11
120.01244	0.11
120.01369	0.08
120.01494	0.04
120.01618	0.00
120.01743	0.00
120.01868	0.00
120.01992	0.00
120.07357	0.00
120.07482	0.00
120.07607	0.00
120.07731	0.00
120.07856	0.04
120.07981	0.06
120.08106	0.07
120.08231	0.06
120.08356	0.03
120.08479	0.00
120.08604	0.00
120.08729	0.00
120.08854	0.00
121.27816	0.00
121.27943	0.00
121.28069	0.00
121.28196	0.00
121.28323	0.02
121.28449	0.05
121.28576	0.07
121.28703	0.06
121.28830	0.04
121.28954	0.00
121.29081	0.00
121.29207	0.00
121.29334	0.00
124.03535	0.00
124.03666	0.00
124.03797	0.00
124.03928	0.00
124.04059	0.03
124.04190	0.06
124.04321	0.07
124.04452	0.06
124.04583	0.03
124.04711	0.00
124.04843	0.00
124.04974	0.00
124.05105	0.00
127.03011	0.00
127.03147	0.00
127.03283	0.00
127.03419	0.00
127.03555	0.03
127.03690	0.06
127.03826	0.08
127.03962	0.08
127.04098	0.06
127.04234	0.03
127.04366	0.00
127.04502	0.00
127.04638	0.00
127.04773	0.00
131.04198	0.00
131.04341	0.00
131.04483	0.00
131.04625	0.00
131.04768	0.04
131.04910	0.06
131.05052	0.06
131.05194	0.05
131.05337	0.02
131.05478	0.00
131.05621	0.00
131.05763	0.00
131.05905	0.00
131.95739	0.00
131.95883	0.00
131.96026	0.00
131.96170	0.00
131.96314	0.03
131.96458	0.09
131.96602	0.05
131.96745	0.05
131.96894	0.10
131.97038	0.38
131.97181	0.90
131.97325	1.47
131.97469	1.64
131.97613	1.12
131.97757	0.58
131.97900	0.15
131.98044	0.03
131.98143	0.00
131.98287	0.00
131.98431	0.00
131.98574	0.00
132.03322	0.00
132.03466	0.00
132.03610	0.00
132.03754	0.00
132.03898	0.01
132.04042	0.11
132.04185	0.27
132.04329	0.43
132.04473	0.43
132.04617	0.27
132.04761	0.12
132.04905	0.03
132.05089	0.00
132.05233	0.00
132.05377	0.00
132.05521	0.00
133.01765	0.00
133.01910	0.00
133.02056	0.00
133.02201	0.00
133.02347	0.02
133.02492	0.05
133.02638	0.11
133.02783	0.14
133.02929	0.13
133.03074	0.09
133.03220	0.04
133.03359	0.00
133.03505	0.00
133.03651	0.00
133.03796	0.00
140.05767	0.00
140.05925	0.00
140.06082	0.00
140.06239	0.00
140.06396	0.05
140.06553	0.09
140.06711	0.13
140.06868	0.13
140.07025	0.09
140.07182	0.05
140.07340	0.00
140.07497	0.00
140.07655	0.00
140.07812	0.00
148.06410	0.00
148.06581	0.00
148.06752	0.00
148.06923	0.00
148.07093	0.04
148.07264	0.10
148.07435	0.14
148.07606	0.14
148.07777	0.11
148.07948	0.05
148.08119	0.02
148.08286	0.00
148.08457	0.00
148.08627	0.00
148.08798	0.00
150.04036	0.00
150.04211	0.00
150.04385	0.00
150.04559	0.00
150.04734	0.04
150.04908	0.17
150.05082	0.67
150.05257	1.30
150.05431	1.90
150.05605	1.70
150.05780	1.04
150.05954	0.43
150.06128	0.12
150.06303	0.03
150.06497	0.00
150.06671	0.00
150.06846	0.00
150.07020	0.00
154.97573	0.00
154.97756	0.00
154.97939	0.00
154.98122	0.00
154.98305	0.03
154.98488	0.06
154.98671	0.21
154.98854	0.36
154.99037	0.48
154.99220	0.38
154.99403	0.22
154.99586	0.07
154.99769	0.02
154.99943	0.00
155.00126	0.00
155.00309	0.00
155.00492	0.00
160.13913	0.00
160.14105	0.00
160.14298	0.00
160.14490	0.00
160.14682	0.03
160.14874	0.05
160.15067	0.06
160.15259	0.05
160.15451	0.02
160.15625	0.00
160.15817	0.00
160.16009	0.00
160.16202	0.00
162.07859	0.00
162.08055	0.00
162.08251	0.00
162.08446	0.00
162.08642	0.02
162.08838	0.17
162.09034	0.51
162.09229	0.87
162.09425	1.10
162.09621	0.83
162.09817	0.48
162.10012	0.16
162.10208	0.05
162.10404	0.01
162.10614	0.00
162.10810	0.00
162.11006	0.00
162.11202	0.00
165.06099	0.00
165.06300	0.00
165.06501	0.00
165.06702	0.00
165.06904	0.02
165.07105	0.09
165.07306	0.39
165.07507	0.88
165.07708	1.40
165.07909	1.50
165.08111	1.01
165.08312	0.51
165.08513	0.14
165.08714	0.04
165.08923	0.00
165.09124	0.00
165.09326	0.00
165.09527	0.00
180.02773	0.00
180.03002	0.00
180.03231	0.00
180.03461	0.00
180.03690	0.00
180.03919	0.00
180.04148	0.00
180.04377	0.00
180.04606	0.00
180.04835	0.00
180.05065	0.00
180.05294	0.00
180.05523	0.00
180.05752	0.00
180.05981	0.00
180.06210	0.00
180.06440	0.00
180.06669	0.00
180.06898	0.00
180.07127	0.00
180.07356	0.00
180.07586	0.00
180.07815	0.00
180.08044	0.00
180.08276	0.27
180.08506	0.45
180.08735	1.39
180.08964	2.23
180.09193	3.11
180.09422	9.71
180.09652	33.15
180.09881	65.99
180.10110	100.00
180.10340	96.35
180.10569	61.27
180.10798	28.67
180.11027	8.17
180.11257	2.74
180.11486	2.11
180.11715	1.14
180.11944	0.28
180.12174	0.01
180.12400	0.00
180.12629	0.00
180.12859	0.00
180.13088	0.00
180.13317	0.00
180.13547	0.00
180.13776	0.00
180.14005	0.00
180.14235	0.00
180.14464	0.00
180.14693	0.00
180.14923	0.00
180.15141	0.00
180.15370	0.00
180.15599	0.00
180.15829	0.00
181.08621	0.00
181.08852	0.00
181.09083	0.00
181.09314	0.00
181.09546	0.02
181.09777	0.16
181.10008	0.55
181.10239	0.99
181.10470	1.36
181.10701	1.15
181.10933	0.69
181.11164	0.27
181.11395	0.08
181.11626	0.01
181.11857	0.00
181.12089	0.00
181.12320	0.00
181.12551	0.00
202.01688	0.00
202.01960	0.00
202.02233	0.00
202.02505	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1178
Annotation	butamben
Peak:m/z	Relative Intensity
49.50259	0.00
49.50292	0.00
49.50325	0.00
49.50358	0.00
56.05759	0.00
56.05798	0.00
56.05838	0.00
56.05878	0.00
56.05918	0.30
56.05958	0.52
56.05997	0.64
56.06037	0.57
56.06077	0.36
56.06115	0.00
56.06155	0.00
56.06195	0.00
56.06235	0.00
58.06253	0.00
58.06295	0.00
58.06337	0.00
58.06379	0.00
58.06421	0.23
58.06463	0.53
58.06505	1.67
58.06547	3.17
58.06589	4.56
58.06631	3.99
58.06673	2.34
58.06715	0.81
58.06757	0.44
58.06794	0.00
58.06836	0.00
58.06878	0.00
58.06920	0.00
64.03975	0.00
64.04023	0.00
64.04072	0.00
64.04120	0.00
64.04169	0.35
64.04218	0.59
64.04266	0.71
64.04315	0.66
64.04364	0.49
64.04409	0.00
64.04457	0.00
64.04506	0.00
64.04554	0.00
68.16804	0.00
68.16858	0.00
68.16911	0.00
68.16965	0.00
68.17018	0.21
68.17071	0.57
68.17125	0.90
68.17178	0.97
68.17232	0.73
68.17285	0.37
68.17325	0.00
68.17379	0.00
68.17432	0.00
68.17485	0.00
83.24853	0.00
83.24925	0.00
83.24997	0.00
83.25069	0.00
83.25141	0.29
83.25214	0.56
83.25286	0.68
83.25358	0.58
83.25430	0.34
83.25498	0.00
83.25570	0.00
83.25642	0.00
83.25714	0.00
87.86668	0.00
87.86746	0.00
87.86824	0.00
87.86902	0.00
87.86980	0.30
87.87059	0.57
87.87137	0.73
87.87215	0.71
87.87293	0.52
87.87363	0.00
87.87441	0.00
87.87519	0.00
87.87598	0.00
96.99027	0.00
96.99117	0.00
96.99208	0.00
96.99298	0.00
96.99389	0.48
96.99480	0.79
96.99570	0.90
96.99661	0.75
96.99751	0.45
96.99838	0.00
96.99928	0.00
97.00019	0.00
97.00110	0.00
101.91021	0.00
101.91118	0.00
101.91216	0.00
101.91313	0.00
101.91411	0.53
101.91508	0.74
101.91606	0.76
101.91704	0.58
101.91801	0.32
101.91922	0.00
101.92020	0.00
101.92118	0.00
101.92215	0.00
105.02570	0.00
105.02672	0.00
105.02774	0.00
105.02876	0.00
105.02978	0.55
105.03080	1.68
105.03182	5.11
105.03284	9.28
105.03386	12.87
105.03488	10.78
105.03591	6.36
105.03693	2.17
105.03795	0.24
105.03849	0.00
105.03951	0.00
105.04053	0.00
105.04155	0.00
129.92375	0.00
129.92515	0.00
129.92656	0.00
129.92796	0.00
129.92937	0.35
129.93077	0.68
129.93218	0.84
129.93358	0.72
129.93499	0.41
129.93664	0.00
129.93805	0.00
129.93945	0.00
129.94086	0.00
135.03123	0.00
135.03272	0.00
135.03421	0.00
135.03570	0.00
135.03719	0.21
135.03868	0.79
135.04016	2.56
135.04165	5.94
135.04314	9.62
135.04463	10.89
135.04612	7.57
135.04761	3.98
135.04910	0.98
135.05058	0.03
135.05175	0.00
135.05324	0.00
135.05473	0.00
135.05622	0.00
137.63845	0.00
137.63998	0.00
137.64151	0.00
137.64304	0.00
137.64458	0.36
137.64611	0.64
137.64764	0.76
137.64917	0.66
137.65070	0.42
137.65222	0.00
137.65375	0.00
137.65528	0.00
137.65682	0.00
148.02998	0.00
148.03169	0.00
148.03339	0.00
148.03510	0.00
148.03681	0.49
148.03852	0.74
148.04023	0.80
148.04194	0.60
148.04365	0.30
148.04549	0.00
148.04720	0.00
148.04891	0.00
148.05062	0.00
148.06429	0.00
148.06600	0.00
148.06771	0.00
148.06942	0.00
148.07113	0.32
148.07283	1.12
148.07454	3.98
148.07625	7.95
148.07796	12.01
148.07967	11.37
148.08138	7.07
148.08309	3.11
148.08480	0.65
148.08651	0.02
148.08812	0.00
148.08983	0.00
148.09154	0.00
148.09325	0.00
152.93726	0.00
152.93905	0.00
152.94085	0.00
152.94264	0.00
152.94444	0.28
152.94623	0.78
152.94802	1.13
152.94982	1.08
152.95161	0.69
152.95341	0.27
152.95529	0.00
152.95709	0.00
152.95888	0.00
152.96068	0.00
176.09531	0.00
176.09753	0.00
176.09975	0.00
176.10196	0.00
176.10418	0.32
176.10640	0.81
176.10861	1.30
176.11083	1.47
176.11305	1.19
176.11526	0.68
176.11748	0.25
176.11979	0.00
176.12200	0.00
176.12422	0.00
176.12644	0.00
194.06737	0.00
194.06994	0.00
194.07250	0.00
194.07507	0.00
194.07763	0.00
194.08020	0.00
194.08276	0.00
194.08532	0.00
194.08789	0.00
194.09045	1.03
194.09302	0.00
194.09560	0.00
194.09817	0.00
194.10073	0.00
194.10330	0.00
194.10586	0.70
194.10843	5.26
194.11099	19.40
194.11356	49.70
194.11612	82.13
194.11869	100.00
194.12125	75.40
194.12382	44.02
194.12639	15.11
194.12895	3.67
194.13152	0.00
194.13408	0.00
194.13665	0.00
194.13921	0.00
194.14178	0.00
217.16689	0.00
217.16993	0.00
217.17297	0.00
217.17600	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	208.1331
Annotation	MDMA methylene homolog 
Peak:m/z	Relative Intensity
49.50255	0.00
49.50288	0.00
49.50321	0.00
49.50354	0.00
58.06293	0.00
58.06335	0.00
58.06377	0.00
58.06419	0.00
58.06460	0.00
58.06502	0.11
58.06544	0.31
58.06586	0.54
58.06628	0.57
58.06670	0.37
58.06712	0.19
58.06754	0.04
58.06795	0.00
58.06837	0.00
58.06879	0.00
58.06921	0.00
59.07088	0.00
59.07131	0.00
59.07174	0.00
59.07217	0.00
59.07260	0.04
59.07303	0.11
59.07346	0.22
59.07389	0.36
59.07432	0.24
59.07475	0.15
59.07518	0.07
59.07561	0.02
59.07604	0.00
59.07647	0.00
59.07690	0.00
59.07733	0.00
60.07614	0.00
60.07658	0.00
60.07703	0.00
60.07747	0.00
60.07791	0.00
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60.07879	0.00
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60.07975	0.25
60.08020	0.66
60.08064	2.05
60.08108	3.86
60.08152	5.59
60.08196	5.02
60.08240	3.06
60.08285	1.24
60.08329	0.25
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84.95951	0.60
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88.92214	0.10
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88.92423	0.00
88.92502	0.00
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131.04483	1.72
131.04625	5.32
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131.04909	12.46
131.05052	10.06
131.05194	5.96
131.05336	2.15
131.05479	0.56
131.05621	0.15
131.05763	0.10
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132.05088	0.18
132.05232	0.22
132.05376	0.19
132.05520	0.11
132.05664	0.04
132.05800	0.00
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132.06232	0.00
141.02801	0.00
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208.12207	5.28
208.12491	18.94
208.12776	49.76
208.13061	83.02
208.13346	100.00
208.13631	73.01
208.13915	40.80
208.14200	12.82
208.14485	3.66
208.14770	1.78
208.15055	1.36
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209.13969	1.73
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209.15691	0.00
209.15978	0.00
232.32020	0.00
232.32356	0.00
232.32692	0.00
232.33028	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	225.0656
Annotation	phenazine-1-carboxylic acid
Peak:m/z	Relative Intensity
49.50260	0.00
49.50293	0.00
49.50326	0.00
49.50359	0.00
51.71733	0.00
51.71769	0.00
51.71804	0.00
51.71839	0.00
51.71875	0.03
51.71910	0.05
51.71945	0.06
51.71980	0.05
51.72016	0.02
51.72049	0.00
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53.56900	0.00
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73.93790	0.31
73.93850	0.18
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73.93971	0.04
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73.94090	0.00
73.94150	0.00
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90.95014	0.05
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92.29430	0.00
102.02832	0.00
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102.03126	0.00
102.03223	0.03
102.03321	0.07
102.03419	0.10
102.03517	0.09
102.03614	0.05
102.03710	0.00
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102.03906	0.00
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104.18008	0.00
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104.19034	0.00
104.19135	0.00
104.19235	0.00
113.94983	0.00
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113.95906	0.19
113.96022	0.46
113.96137	1.32
113.96253	2.37
113.96368	3.28
113.96483	2.75
113.96599	1.62
113.96714	0.57
113.96830	0.09
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114.96160	0.25
114.96277	0.54
114.96394	0.86
114.96511	1.12
114.96627	1.13
114.96744	0.82
114.96861	0.48
114.96978	0.16
114.97095	0.00
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115.96621	0.05
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116.97366	0.06
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116.97606	0.00
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116.97846	0.07
116.97966	0.09
116.98086	0.08
116.98206	0.04
116.98325	0.00
116.98445	0.00
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116.98685	0.00
117.96998	0.00
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117.97605	0.12
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117.97849	0.43
117.97970	0.48
117.98092	0.33
117.98213	0.17
117.98335	0.03
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125.81793	0.00
129.23391	0.00
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129.24367	0.07
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131.96335	0.03
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131.96910	0.34
131.97054	1.06
131.97197	2.16
131.97341	3.33
131.97485	3.36
131.97629	2.16
131.97773	1.02
131.97916	0.23
131.98060	0.03
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132.97432	1.43
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132.97868	0.80
132.98013	0.32
132.98159	0.04
132.98264	0.00
132.98409	0.00
132.98555	0.00
132.98700	0.00
139.97749	0.00
139.97906	0.00
139.98063	0.00
139.98220	0.00
139.98377	0.03
139.98535	0.07
139.98692	0.09
139.98849	0.07
139.99006	0.03
139.99162	0.00
139.99319	0.00
139.99476	0.00
139.99633	0.00
140.98352	0.00
140.98511	0.00
140.98669	0.00
140.98828	0.00
140.98987	0.03
140.99146	0.07
140.99305	0.10
140.99463	0.11
140.99622	0.09
140.99781	0.05
140.99960	0.00
141.00119	0.00
141.00277	0.00
141.00436	0.00
141.94287	0.00
141.94448	0.00
141.94608	0.00
141.94769	0.00
141.94929	0.05
141.95089	0.08
141.95250	0.23
141.95410	0.79
141.95571	1.78
141.95731	2.86
141.95892	3.12
141.96052	2.11
141.96212	1.09
141.96373	0.28
141.96533	0.04
141.96749	0.00
141.96910	0.00
141.97070	0.00
141.97231	0.00
142.94644	0.00
142.94806	0.00
142.94968	0.00
142.95131	0.00
142.95293	0.00
142.95455	0.14
142.95617	0.46
142.95779	1.03
142.95941	1.67
142.96103	2.19
142.96266	1.91
142.96428	1.19
142.96590	0.52
142.96752	0.08
142.96914	0.00
142.97006	0.00
142.97168	0.00
142.97330	0.00
142.97492	0.00
143.94959	0.00
143.95123	0.00
143.95287	0.00
143.95451	0.00
143.95615	0.04
143.95778	0.07
143.95942	0.09
143.96106	0.08
143.96270	0.06
143.96434	0.04
143.96594	0.00
143.96758	0.00
143.96922	0.00
143.97086	0.00
148.27106	0.00
148.27277	0.00
148.27449	0.00
148.27620	0.00
148.27791	0.04
148.27962	0.07
148.28134	0.09
148.28305	0.07
148.28476	0.04
148.28652	0.00
148.28823	0.00
148.28995	0.00
148.29166	0.00
152.03699	0.00
152.03877	0.00
152.04055	0.00
152.04233	0.00
152.04411	0.05
152.04588	0.10
152.04766	0.12
152.04944	0.10
152.05122	0.06
152.05298	0.00
152.05475	0.00
152.05653	0.00
152.05831	0.00
154.97556	0.00
154.97739	0.00
154.97922	0.00
154.98105	0.00
154.98288	0.06
154.98471	0.25
154.98654	0.65
154.98837	1.08
154.99020	1.29
154.99203	0.92
154.99386	0.51
154.99569	0.15
154.99752	0.02
154.99934	0.00
155.00117	0.00
155.00300	0.00
155.00483	0.00
155.97772	0.00
155.97957	0.00
155.98142	0.00
155.98327	0.00
155.98512	0.05
155.98696	0.20
155.98881	0.36
155.99066	0.51
155.99251	0.51
155.99436	0.33
155.99620	0.17
155.99805	0.04
155.99995	0.00
156.00180	0.00
156.00365	0.00
156.00550	0.00
159.94513	0.00
159.94705	0.00
159.94897	0.00
159.95089	0.00
159.95280	0.00
159.95472	0.00
159.95664	0.00
159.95881	0.22
159.96073	0.34
159.96265	0.92
159.96457	2.88
159.96649	5.45
159.96841	7.95
159.97033	7.19
159.97225	4.42
159.97417	1.86
159.97609	0.43
159.97800	0.10
159.97967	0.00
159.98159	0.00
159.98351	0.12
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159.98734	0.00
159.98926	0.00
159.99118	0.00
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160.95335	0.00
160.95529	0.00
160.95722	0.00
160.95967	0.00
160.96160	0.00
160.96354	0.47
160.96548	1.49
160.96741	3.44
160.96935	5.58
160.97129	7.03
160.97323	5.72
160.97516	3.47
160.97710	1.35
160.97904	0.21
160.98098	0.00
160.98225	0.00
160.98418	0.00
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160.98806	0.00
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161.95534	0.00
161.95729	0.00
161.95925	0.00
161.96120	0.03
161.96316	0.19
161.96511	0.58
161.96707	0.99
161.96902	1.29
161.97098	1.04
161.97293	0.62
161.97489	0.23
161.97684	0.04
161.97895	0.00
161.98091	0.00
161.98286	0.00
161.98482	0.00
162.03959	0.00
162.04154	0.00
162.04350	0.00
162.04546	0.00
162.04741	0.03
162.04937	0.08
162.05133	0.20
162.05328	0.34
162.05524	0.38
162.05720	0.26
162.05915	0.09
162.06111	0.03
162.06313	0.00
162.06509	0.00
162.06705	0.00
162.06901	0.00
177.96294	0.00
177.96519	0.00
177.96745	0.00
177.96970	0.00
177.97195	0.05
177.97420	0.18
177.97645	0.36
177.97871	0.54
177.98096	0.50
177.98321	0.30
177.98546	0.12
177.98772	0.04
177.98996	0.00
177.99221	0.00
177.99447	0.00
177.99672	0.00
178.96473	0.00
178.96700	0.00
178.96927	0.00
178.97154	0.00
178.97382	0.03
178.97609	0.09
178.97836	0.25
178.98063	0.40
178.98290	0.42
178.98517	0.27
178.98744	0.12
178.98971	0.05
178.99159	0.00
178.99387	0.00
178.99614	0.00
178.99841	0.00
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179.04385	0.00
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179.05067	0.06
179.05294	0.31
179.05521	0.99
179.05749	1.69
179.05976	2.12
179.06203	1.60
179.06430	0.92
179.06658	0.30
179.06885	0.09
179.07112	0.03
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179.07605	0.00
179.07833	0.00
179.08060	0.00
179.96355	0.00
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179.96813	0.00
179.97042	0.00
179.97271	0.04
179.97500	0.12
179.97729	0.27
179.97958	0.38
179.98187	0.30
179.98416	0.17
179.98645	0.06
179.98890	0.00
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179.99348	0.00
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182.97331	0.04
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182.98036	1.22
182.98271	2.08
182.98505	2.60
182.98740	1.94
182.98975	1.09
182.99210	0.33
182.99445	0.07
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182.99939	0.00
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183.00644	0.00
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183.97068	0.00
183.97305	0.00
183.97541	0.00
183.97778	0.12
183.98015	0.46
183.98251	1.15
183.98488	1.90
183.98725	2.36
183.98962	1.84
183.99198	1.09
183.99435	0.38
183.99672	0.05
183.99874	0.00
184.00110	0.00
184.00347	0.00
184.00584	0.00
184.96846	0.00
184.97084	0.00
184.97323	0.00
184.97562	0.00
184.97800	0.06
184.98039	0.20
184.98277	0.36
184.98516	0.47
184.98755	0.37
184.98993	0.22
184.99232	0.07
184.99471	0.03
184.99713	0.00
184.99951	0.00
185.00190	0.00
185.00429	0.00
197.05021	0.00
197.05284	0.00
197.05546	0.00
197.05808	0.00
197.06071	0.04
197.06333	0.07
197.06596	0.21
197.06858	0.36
197.07120	0.42
197.07383	0.30
197.07645	0.16
197.07908	0.05
197.08168	0.00
197.08430	0.00
197.08693	0.00
197.08955	0.00
201.95439	0.00
201.95711	0.00
201.95983	0.00
201.96256	0.00
201.96528	0.03
201.96800	0.08
201.97072	0.12
201.97345	0.14
201.97617	0.12
201.97889	0.07
201.98161	0.03
201.98446	0.00
201.98718	0.00
201.98991	0.00
201.99263	0.00
207.02149	0.00
207.02432	0.00
207.02715	0.00
207.02997	0.00
207.03280	0.06
207.03562	0.12
207.03845	0.39
207.04127	0.49
207.04410	1.35
207.04693	4.78
207.04975	12.51
207.05258	20.89
207.05540	25.21
207.05823	18.43
207.06106	10.30
207.06388	3.19
207.06671	0.85
207.06953	0.36
207.07236	0.27
207.07519	0.03
207.07794	0.00
207.08077	0.00
207.08359	0.00
207.08642	0.00
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208.03947	0.00
208.04231	0.00
208.04516	0.00
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208.05085	0.09
208.05370	0.25
208.05655	0.42
208.05939	0.52
208.06224	0.42
208.06509	0.26
208.06793	0.10
208.07078	0.04
208.07364	0.00
208.07648	0.00
208.07933	0.00
208.08218	0.00
225.00095	0.00
225.00415	0.00
225.00735	0.00
225.01055	0.00
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225.02016	0.00
225.02336	0.00
225.02656	0.00
225.02976	0.00
225.03296	0.00
225.03623	0.00
225.03943	0.22
225.04263	0.41
225.04584	1.44
225.04904	1.95
225.05224	3.87
225.05544	13.03
225.05865	40.92
225.06185	73.08
225.06505	100.00
225.06825	82.94
225.07146	49.66
225.07466	18.75
225.07786	5.05
225.08107	1.74
225.08427	1.54
225.08747	0.61
225.09067	0.11
225.09388	0.00
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226.05477	0.06
226.05800	0.21
226.06122	0.71
226.06444	1.36
226.06767	2.01
226.07089	1.86
226.07412	1.15
226.07734	0.51
226.08057	0.13
226.08379	0.02
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227.06061	0.04
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227.06710	0.13
227.07034	0.13
227.07359	0.10
227.07683	0.05
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227.08340	0.00
227.08665	0.00
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231.33585	0.00
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231.35254	0.07
231.35587	0.09
231.35921	0.08
231.36255	0.04
231.36589	0.00
231.36923	0.00
231.37256	0.00
231.37590	0.00
252.52277	0.00
252.52658	0.00
252.53039	0.00
252.53419	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	227.1751
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
49.50255	0.00
49.50289	0.00
49.50322	0.00
49.50355	0.00
59.24352	0.00
59.24396	0.00
59.24439	0.00
59.24482	0.00
59.24525	0.53
59.24569	1.07
59.24612	1.40
59.24655	1.30
59.24698	0.83
59.24721	0.00
59.24764	0.00
59.24807	0.00
59.24851	0.00
83.08162	0.00
83.08234	0.00
83.08306	0.00
83.08377	0.00
83.08449	0.49
83.08521	1.43
83.08593	2.33
83.08665	2.54
83.08737	1.93
83.08808	1.00
83.08873	0.00
83.08945	0.00
83.09017	0.00
83.09089	0.00
90.97075	0.00
90.97157	0.00
90.97239	0.00
90.97321	0.00
90.97404	0.62
90.97486	1.56
90.97568	4.31
90.97651	7.28
90.97733	8.65
90.97815	6.10
90.97898	3.18
90.97980	0.74
90.98056	0.00
90.98138	0.00
90.98221	0.00
90.98303	0.00
100.10296	0.00
100.10391	0.00
100.10486	0.00
100.10581	0.00
100.10676	0.65
100.10771	1.31
100.10866	4.21
100.10961	15.22
100.11056	45.38
100.11151	77.52
100.11246	100.00
100.11341	77.22
100.11436	45.09
100.11531	14.79
100.11626	3.71
100.11721	0.71
100.11813	0.00
100.11908	0.00
100.12003	0.00
100.12099	0.00
101.10987	0.00
101.11083	0.00
101.11179	0.00
101.11276	0.00
101.11372	0.63
101.11469	1.12
101.11565	1.35
101.11662	1.18
101.11758	0.75
101.11851	0.00
101.11948	0.00
101.12044	0.00
101.12141	0.00
104.90810	0.00
104.90912	0.00
104.91014	0.00
104.91116	0.00
104.91218	0.83
104.91320	1.39
104.91422	1.61
104.91524	1.31
104.91626	0.73
104.91717	0.00
104.91819	0.00
104.91921	0.00
104.92023	0.00
117.13226	0.00
117.13346	0.00
117.13467	0.00
117.13587	0.00
117.13707	0.83
117.13827	1.31
117.13948	1.44
117.14068	1.13
117.14188	0.59
117.14308	0.00
117.14428	0.00
117.14548	0.00
117.14669	0.00
117.97124	0.00
117.97245	0.00
117.97367	0.00
117.97488	0.00
117.97610	0.57
117.97732	1.41
117.97853	2.27
117.97975	2.57
117.98096	2.09
117.98218	1.17
117.98339	0.42
117.98459	0.00
117.98581	0.00
117.98702	0.00
117.98824	0.00
119.96633	0.00
119.96758	0.00
119.96882	0.00
119.97007	0.00
119.97132	0.44
119.97256	1.36
119.97381	2.67
119.97506	3.59
119.97630	3.43
119.97755	2.31
119.97879	1.03
119.97992	0.00
119.98117	0.00
119.98241	0.00
119.98366	0.00
133.79668	0.00
133.79814	0.00
133.79961	0.00
133.80108	0.00
133.80255	0.73
133.80402	1.25
133.80549	1.43
133.80695	1.18
133.80842	0.67
133.80986	0.00
133.81133	0.00
133.81279	0.00
133.81426	0.00
145.94416	0.00
145.94583	0.00
145.94751	0.00
145.94918	0.00
145.95085	0.67
145.95252	1.39
145.95420	1.76
145.95587	1.53
145.95754	0.88
145.95925	0.00
145.96092	0.00
145.96259	0.00
145.96427	0.00
161.95360	0.00
161.95555	0.00
161.95751	0.00
161.95946	0.00
161.96142	0.48
161.96337	1.35
161.96533	3.63
161.96728	6.33
161.96924	7.75
161.97119	5.61
161.97315	3.04
161.97510	0.66
161.97705	0.00
161.97901	0.00
161.98096	0.00
161.98292	0.00
162.95327	0.00
162.95524	0.00
162.95722	0.00
162.95919	0.00
162.96116	0.85
162.96314	2.37
162.96511	4.84
162.96708	7.26
162.96906	7.06
162.97103	2.88
162.97300	1.51
162.97498	0.63
162.97652	0.00
162.97850	0.00
162.98047	0.00
162.98244	0.00
163.94986	0.00
163.95185	0.00
163.95384	0.00
163.95583	0.00
163.95782	0.50
163.95982	3.44
163.96181	6.99
163.96380	10.47
163.96579	9.56
163.96778	5.86
163.96977	2.44
163.97176	0.39
163.97426	0.00
163.97625	0.00
163.97825	0.00
163.98024	0.00
177.09920	0.00
177.10143	0.00
177.10367	0.00
177.10590	0.00
177.10814	0.98
177.11038	1.53
177.11261	1.66
177.11485	1.28
177.11708	0.66
177.11929	0.00
177.12153	0.00
177.12376	0.00
177.12600	0.00
181.96323	0.00
181.96556	0.00
181.96789	0.00
181.97022	0.00
181.97254	0.80
181.97487	1.34
181.97720	1.47
181.97953	1.13
181.98186	0.59
181.98425	0.00
181.98658	0.00
181.98891	0.00
181.99124	0.00
186.96504	0.00
186.96747	0.00
186.96989	0.00
186.97232	0.00
186.97474	0.76
186.97717	1.63
186.97959	2.21
186.98202	2.07
186.98444	1.30
186.98687	0.47
186.98958	0.00
186.99201	0.00
186.99443	0.00
186.99686	0.00
209.13991	0.00
209.14278	0.00
209.14565	0.00
209.14852	0.00
209.15138	0.54
209.15425	2.50
209.15712	9.46
209.15999	21.62
209.16286	34.90
209.16573	37.95
209.16860	25.55
209.17147	13.01
209.17434	3.28
209.17721	0.51
209.17986	0.00
209.18273	0.00
209.18560	0.00
209.18847	0.00
227.13536	0.00
227.13860	0.00
227.14185	0.00
227.14510	0.00
227.14834	0.00
227.15159	0.00
227.15484	0.00
227.15813	1.61
227.16137	2.58
227.16462	9.20
227.16787	31.19
227.17112	58.55
227.17436	83.89
227.17761	73.85
227.18086	45.15
227.18411	18.62
227.18736	4.92
227.19060	1.59
227.19385	1.42
227.19710	0.77
227.20035	0.00
227.20360	0.00
227.20685	0.00
227.21009	0.00
252.52284	0.00
252.52664	0.00
252.53045	0.00
252.53426	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	227.175
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
49.50261	0.00
49.50294	0.00
49.50327	0.00
49.50360	0.00
53.42245	0.00
53.42283	0.00
53.42320	0.00
53.42357	0.00
53.42394	0.35
53.42431	0.58
53.42468	0.67
53.42505	0.58
53.42542	0.35
53.42577	0.00
53.42614	0.00
53.42652	0.00
53.42689	0.00
55.05292	0.00
55.05331	0.00
55.05370	0.00
55.05409	0.00
55.05447	0.45
55.05486	0.83
55.05525	0.98
55.05563	0.75
55.05602	0.35
55.05636	0.00
55.05675	0.00
55.05714	0.00
55.05753	0.00
60.37451	0.00
60.37496	0.00
60.37540	0.00
60.37585	0.00
60.37629	0.30
60.37674	0.63
60.37718	0.86
60.37763	0.82
60.37807	0.55
60.37844	0.00
60.37888	0.00
60.37933	0.00
60.37977	0.00
69.42749	0.00
69.42804	0.00
69.42859	0.00
69.42914	0.00
69.42969	0.49
69.43024	0.64
69.43078	0.71
69.43133	0.67
69.43188	0.50
69.43231	0.00
69.43286	0.00
69.43341	0.00
69.43396	0.00
83.08090	0.00
83.08162	0.00
83.08234	0.00
83.08306	0.00
83.08377	0.22
83.08449	0.69
83.08521	1.24
83.08593	1.52
83.08665	1.28
83.08737	0.71
83.08808	0.25
83.08855	0.00
83.08926	0.00
83.08998	0.00
83.09070	0.00
90.97056	0.00
90.97138	0.00
90.97220	0.00
90.97303	0.00
90.97385	0.10
90.97467	1.17
90.97550	3.48
90.97632	5.90
90.97714	7.10
90.97797	5.11
90.97879	2.79
90.97961	0.82
90.98043	0.45
90.98144	0.00
90.98226	0.00
90.98308	0.00
90.98390	0.00
92.28265	0.00
92.28349	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28853	0.00
92.28937	0.00
92.29021	0.00
92.29099	0.00
92.29183	0.00
92.29267	0.00
92.29351	0.00
100.10200	0.00
100.10295	0.00
100.10390	0.00
100.10485	0.00
100.10580	0.06
100.10675	0.95
100.10770	1.30
100.10865	3.92
100.10960	14.47
100.11055	44.49
100.11150	76.64
100.11245	100.00
100.11340	77.99
100.11435	45.71
100.11530	15.26
100.11625	4.12
100.11720	1.44
100.11815	1.29
100.11910	0.39
100.12004	0.00
100.12099	0.00
100.12194	0.00
100.12289	0.00
100.63419	0.00
100.63515	0.00
100.63611	0.00
100.63707	0.00
100.63802	0.40
100.63898	0.70
100.63994	0.86
100.64090	0.77
100.64185	0.50
100.64267	0.00
100.64363	0.00
100.64458	0.00
100.64554	0.00
117.12986	0.00
117.13106	0.00
117.13226	0.00
117.13347	0.00
117.13467	0.23
117.13587	0.67
117.13707	1.20
117.13828	1.46
117.13948	1.27
117.14068	0.77
117.14188	0.28
117.14308	0.00
117.14428	0.00
117.14548	0.00
117.14669	0.00
117.97245	0.00
117.97367	0.00
117.97489	0.00
117.97610	0.00
117.97732	0.35
117.97853	0.90
117.97975	1.29
117.98096	1.24
117.98218	0.81
117.98339	0.31
117.98459	0.00
117.98581	0.00
117.98702	0.00
117.98824	0.00
119.96633	0.00
119.96758	0.00
119.96882	0.00
119.97007	0.00
119.97132	0.28
119.97256	0.80
119.97381	1.48
119.97506	1.83
119.97630	1.56
119.97755	0.89
119.97880	0.30
119.98002	0.00
119.98126	0.00
119.98251	0.00
119.98376	0.00
122.85025	0.00
122.85154	0.00
122.85284	0.00
122.85413	0.00
122.85542	0.47
122.85671	0.83
122.85800	0.93
122.85929	0.72
122.86059	0.35
122.86180	0.00
122.86309	0.00
122.86438	0.00
122.86567	0.00
131.87118	0.00
131.87262	0.00
131.87406	0.00
131.87549	0.00
131.87693	0.34
131.87837	0.70
131.87980	0.87
131.88124	0.73
131.88268	0.42
131.88409	0.00
131.88552	0.00
131.88696	0.00
131.88840	0.00
134.95206	0.00
134.95355	0.00
134.95504	0.00
134.95652	0.00
134.95801	0.31
134.95950	0.83
134.96098	1.33
134.96247	1.42
134.96396	1.02
134.96545	0.45
134.96691	0.00
134.96839	0.00
134.96988	0.00
134.97137	0.00
138.02521	0.00
138.02675	0.00
138.02829	0.00
138.02983	0.00
138.03136	0.60
138.03290	0.96
138.03444	1.07
138.03598	0.86
138.03752	0.47
138.03905	0.00
138.04059	0.00
138.04212	0.00
138.04366	0.00
138.81455	0.00
138.81611	0.00
138.81766	0.00
138.81921	0.00
138.82076	0.39
138.82231	0.71
138.82386	0.86
138.82541	0.70
138.82697	0.35
138.82855	0.00
138.83011	0.00
138.83166	0.00
138.83321	0.00
142.97985	0.00
142.98147	0.00
142.98310	0.00
142.98472	0.00
142.98634	0.40
142.98796	0.99
142.98958	1.66
142.99120	1.93
142.99283	1.61
142.99445	0.92
142.99607	0.32
142.99768	0.00
142.99930	0.00
143.00092	0.00
143.00254	0.00
154.42444	0.00
154.42626	0.00
154.42808	0.00
154.42990	0.00
154.43172	0.35
154.43354	0.76
154.43536	1.04
154.43718	0.98
154.43900	0.64
154.44085	0.00
154.44267	0.00
154.44449	0.00
154.44631	0.00
161.95555	0.00
161.95751	0.00
161.95946	0.00
161.96142	0.00
161.96337	0.59
161.96533	1.96
161.96728	3.40
161.96924	4.41
161.97120	3.38
161.97315	1.89
161.97511	0.67
161.97705	0.00
161.97901	0.00
161.98097	0.00
161.98292	0.00
162.95525	0.00
162.95722	0.00
162.95919	0.00
162.96116	0.00
162.96314	0.50
162.96511	0.93
162.96708	1.19
162.96906	1.10
162.97103	0.75
162.97300	0.37
162.97497	0.00
162.97694	0.00
162.97892	0.00
162.98089	0.00
163.95028	0.00
163.95227	0.00
163.95426	0.00
163.95626	0.00
163.95825	0.43
163.96024	1.17
163.96223	2.78
163.96422	4.05
163.96621	3.60
163.96820	2.20
163.97020	0.70
163.97219	0.19
163.97404	0.00
163.97603	0.00
163.97802	0.00
163.98001	0.00
167.05404	0.00
167.05609	0.00
167.05814	0.00
167.06019	0.00
167.06224	0.00
167.06429	1.26
167.06633	3.63
167.06838	6.21
167.07043	6.97
167.07248	4.74
167.07453	2.37
167.07658	0.67
167.07890	0.00
167.08094	0.00
167.08299	0.00
167.08504	0.00
184.97092	0.00
184.97330	0.00
184.97569	0.00
184.97808	0.00
184.98046	0.66
184.98285	1.07
184.98523	1.32
184.98762	1.23
184.99001	0.84
184.99239	0.38
184.99477	0.00
184.99716	0.00
184.99954	0.00
185.00193	0.00
186.96747	0.00
186.96989	0.00
186.97232	0.00
186.97474	0.00
186.97717	0.61
186.97959	0.97
186.98202	1.05
186.98445	0.81
186.98687	0.43
186.98935	0.00
186.99178	0.00
186.99420	0.00
186.99663	0.00
195.04805	0.00
195.05064	0.00
195.05322	0.00
195.05581	0.00
195.05839	0.38
195.06097	0.86
195.06356	1.23
195.06614	1.18
195.06873	0.74
195.07132	0.00
195.07391	0.00
195.07649	0.00
195.07908	0.00
209.06225	0.00
209.06512	0.00
209.06798	0.00
209.07085	0.00
209.07372	0.59
209.07659	1.32
209.07945	1.90
209.08232	1.91
209.08519	1.35
209.08806	0.64
209.09100	0.00
209.09386	0.00
209.09673	0.00
209.09960	0.00
209.13689	0.00
209.13976	0.00
209.14263	0.00
209.14550	0.00
209.14836	0.56
209.15123	0.78
209.15410	2.40
209.15697	8.66
209.15984	20.27
209.16271	32.88
209.16558	36.76
209.16845	25.35
209.17132	13.34
209.17419	3.77
209.17706	0.81
209.17993	0.30
209.18273	0.00
209.18560	0.00
209.18847	0.00
209.19134	0.00
227.10939	0.00
227.11263	0.00
227.11588	0.00
227.11913	0.00
227.12237	0.00
227.12562	0.00
227.12887	0.00
227.13211	0.00
227.13536	0.00
227.13861	0.00
227.14185	0.00
227.14510	0.00
227.14835	0.00
227.15159	0.00
227.15484	0.00
227.15812	1.60
227.16137	2.40
227.16462	8.13
227.16786	27.00
227.17111	50.12
227.17436	71.19
227.17761	62.09
227.18086	37.84
227.18410	15.38
227.18735	4.16
227.19060	1.44
227.19385	1.29
227.19710	0.56
227.20034	0.00
227.20359	0.00
227.20684	0.00
227.21009	0.00
252.52283	0.00
252.52664	0.00
252.53045	0.00
252.53425	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	256.1327
Annotation	(S)-N-(1-Hydroxymethyl-2-phenylethyl)-benzamide
Peak:m/z	Relative Intensity
49.50264	0.00
49.50297	0.00
49.50330	0.00
49.50363	0.00
50.01434	0.00
50.01468	0.00
50.01501	0.00
50.01535	0.00
50.01568	0.13
50.01602	0.20
50.01636	0.24
50.01669	0.20
50.01703	0.13
50.01734	0.00
50.01767	0.00
50.01801	0.00
50.01834	0.00
52.91535	0.00
52.91572	0.00
52.91608	0.00
52.91645	0.00
52.91681	0.13
52.91718	0.23
52.91755	0.28
52.91791	0.24
52.91828	0.14
52.91864	0.00
52.91901	0.00
52.91937	0.00
52.91974	0.00
52.93873	0.00
52.93909	0.00
52.93946	0.00
52.93983	0.00
52.94019	0.11
52.94056	0.21
52.94092	0.25
52.94129	0.21
52.94165	0.11
52.94199	0.00
52.94236	0.00
52.94272	0.00
52.94309	0.00
56.04802	0.00
56.04842	0.00
56.04882	0.00
56.04921	0.00
56.04961	0.12
56.05001	0.25
56.05041	0.31
56.05081	0.25
56.05121	0.12
56.05153	0.00
56.05193	0.00
56.05233	0.00
56.05273	0.00
64.09275	0.00
64.09324	0.00
64.09372	0.00
64.09421	0.00
64.09470	0.11
64.09518	0.22
64.09567	0.30
64.09616	0.30
64.09665	0.22
64.09713	0.11
64.09758	0.00
64.09807	0.00
64.09856	0.00
64.09904	0.00
68.19046	0.00
68.19099	0.00
68.19153	0.00
68.19206	0.00
68.19260	0.13
68.19313	0.22
68.19366	0.26
68.19420	0.23
68.19473	0.15
68.19524	0.00
68.19578	0.00
68.19631	0.00
68.19685	0.00
70.73516	0.00
70.73572	0.00
70.73629	0.00
70.73685	0.00
70.73742	0.15
70.73798	0.24
70.73855	0.27
70.73911	0.21
70.73967	0.11
70.74007	0.00
70.74063	0.00
70.74120	0.00
70.74176	0.00
91.04570	0.00
91.04652	0.00
91.04734	0.00
91.04817	0.00
91.04899	0.19
91.04982	0.33
91.05064	0.37
91.05146	1.08
91.05229	3.99
91.05311	11.23
91.05394	18.99
91.05476	23.78
91.05558	17.91
91.05641	10.26
91.05723	3.28
91.05806	0.82
91.05888	0.18
91.05969	0.00
91.06051	0.00
91.06133	0.00
91.06216	0.00
92.28012	0.00
92.28096	0.00
92.28180	0.00
92.28265	0.00
92.28349	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28767	0.00
92.28851	0.00
92.28935	0.00
92.29019	0.00
95.04311	0.00
95.04399	0.00
95.04487	0.00
95.04575	0.00
95.04663	0.19
95.04750	0.70
95.04838	1.25
95.04926	1.72
95.05014	1.48
95.05102	0.89
95.05190	0.34
95.05278	0.16
95.05358	0.00
95.05446	0.00
95.05533	0.00
95.05621	0.00
105.02133	0.00
105.02236	0.00
105.02338	0.00
105.02440	0.00
105.02542	0.11
105.02644	0.46
105.02746	1.45
105.02848	1.91
105.02950	3.42
105.03052	11.93
105.03154	38.94
105.03256	71.27
105.03359	100.00
105.03461	85.61
105.03563	51.81
105.03665	20.64
105.03767	5.63
105.03869	1.94
105.03971	1.65
105.04073	0.67
105.04175	0.53
105.04278	0.00
105.04378	0.00
105.04480	0.00
105.04582	0.00
105.04685	0.00
106.03104	0.00
106.03207	0.00
106.03311	0.00
106.03414	0.00
106.03518	0.21
106.03621	0.30
106.03725	0.32
106.03828	0.26
106.03932	0.14
106.04028	0.00
106.04131	0.00
106.04235	0.00
106.04339	0.00
115.04781	0.00
115.04898	0.00
115.05015	0.00
115.05132	0.00
115.05249	0.18
115.05366	0.32
115.05484	0.37
115.05601	0.29
115.05718	0.14
115.05834	0.00
115.05951	0.00
115.06068	0.00
115.06185	0.00
117.05655	0.00
117.05775	0.00
117.05895	0.00
117.06016	0.00
117.06136	0.18
117.06256	0.73
117.06376	1.01
117.06496	1.90
117.06616	6.81
117.06736	22.40
117.06857	41.20
117.06977	58.14
117.07097	50.22
117.07217	30.54
117.07337	12.37
117.07457	3.43
117.07578	1.25
117.07698	1.08
117.07818	0.52
117.07938	0.38
117.08058	0.19
117.08178	0.00
117.08298	0.00
117.08418	0.00
117.08539	0.00
122.04959	0.00
122.05087	0.00
122.05215	0.00
122.05343	0.00
122.05471	0.06
122.05599	0.42
122.05727	1.56
122.05855	3.03
122.05983	4.45
122.06110	3.99
122.06238	2.43
122.06366	1.00
122.06494	0.23
122.06602	0.00
122.06730	0.00
122.06858	0.00
122.06986	0.00
134.08040	0.00
134.08187	0.00
134.08334	0.00
134.08481	0.00
134.08629	0.15
134.08776	0.50
134.08923	0.58
134.09071	1.93
134.09218	7.40
134.09365	18.51
134.09512	30.56
134.09660	35.48
134.09807	25.20
134.09954	13.76
134.10102	4.24
134.10249	1.16
134.10396	0.48
134.10544	0.23
134.10712	0.00
134.10859	0.00
134.11006	0.00
134.11154	0.00
196.36468	0.00
196.36729	0.00
196.36990	0.00
196.37251	0.00
196.37512	0.16
196.37773	0.28
196.38034	0.37
196.38295	0.39
196.38556	0.32
196.38817	0.20
196.39085	0.00
196.39346	0.00
196.39607	0.00
196.39868	0.00
238.07793	0.00
238.08142	0.00
238.08490	0.00
238.08839	0.00
238.09187	0.00
238.09535	0.00
238.09884	0.00
238.10232	0.00
238.10581	0.00
238.10910	1.03
238.11259	4.16
238.11607	9.97
238.11956	16.27
238.12305	18.20
238.12653	12.56
238.13002	6.64
238.13350	1.98
238.13699	0.60
238.14047	0.38
238.14396	0.28
238.14764	0.45
238.15112	0.00
238.15437	0.00
238.15785	0.00
238.16134	0.00
238.16483	0.00
239.07737	0.00
239.08088	0.00
239.08438	0.00
239.08789	0.00
239.09140	0.08
239.09490	0.53
239.09841	2.02
239.10192	3.77
239.10542	5.28
239.10893	4.46
239.11244	2.67
239.11595	1.00
239.11945	0.29
239.12296	0.18
239.12672	0.00
239.13023	0.00
239.13373	0.00
239.13724	0.00
256.09638	0.00
256.10027	0.00
256.10416	0.00
256.10805	0.00
256.11193	0.17
256.11582	0.32
256.11971	1.34
256.12360	4.88
256.12748	9.57
256.13137	14.21
256.13526	13.08
256.13915	8.13
256.14304	3.54
256.14693	1.02
256.15081	0.45
256.15470	0.44
256.15859	0.25
256.16216	0.00
256.16605	0.00
256.16994	0.00
256.17383	0.00
256.26330	0.00
256.26719	0.00
256.27108	0.00
256.27497	0.00
256.27887	0.21
256.28276	0.37
256.28665	1.68
256.29054	5.88
256.29443	10.84
256.29832	15.27
256.30222	13.09
256.30611	7.96
256.31000	3.24
256.31389	0.98
256.31779	0.38
256.32168	0.23
256.32605	0.00
256.32994	0.00
256.33384	0.00
256.33773	0.00
279.80669	0.00
279.81113	0.00
279.81557	0.00
279.82001	0.00
279.82445	0.17
279.82889	0.29
279.83333	0.36
279.83777	0.33
279.84221	0.21
279.84665	0.00
279.85109	0.00
279.85553	0.00
279.85997	0.00
282.82310	0.00
282.82762	0.00
282.83213	0.00
282.83664	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	146.1173
Annotation	Acetylcholine
Peak:m/z	Relative Intensity
49.50260	0.00
49.50293	0.00
49.50326	0.00
49.50359	0.00
51.19879	0.00
51.19914	0.00
51.19949	0.00
51.19984	0.00
51.20018	0.01
51.20053	0.03
51.20088	0.04
51.20123	0.03
51.20157	0.02
51.20192	0.00
51.20227	0.00
51.20261	0.00
51.20296	0.00
51.38695	0.00
51.38730	0.00
51.38765	0.00
51.38800	0.00
51.38835	0.02
51.38870	0.04
51.38905	0.04
51.38940	0.03
51.38975	0.01
51.39009	0.00
51.39044	0.00
51.39079	0.00
51.39114	0.00
52.59621	0.00
52.59657	0.00
52.59694	0.00
52.59730	0.00
52.59766	0.02
52.59802	0.04
52.59838	0.04
52.59874	0.03
52.59911	0.02
52.59944	0.00
52.59980	0.00
52.60017	0.00
52.60053	0.00
55.46786	0.00
55.46825	0.00
55.46865	0.00
55.46904	0.00
55.46943	0.02
55.46982	0.03
55.47021	0.04
55.47061	0.03
55.47100	0.02
55.47137	0.00
55.47176	0.00
55.47215	0.00
55.47254	0.00
58.06333	0.00
58.06375	0.00
58.06417	0.00
58.06459	0.00
58.06501	0.02
58.06543	0.04
58.06585	0.06
58.06627	0.07
58.06669	0.05
58.06711	0.03
58.06755	0.00
58.06797	0.00
58.06839	0.00
58.06881	0.00
60.07617	0.00
60.07661	0.00
60.07705	0.00
60.07749	0.00
60.07794	0.01
60.07838	0.04
60.07882	0.12
60.07926	0.18
60.07970	0.29
60.08014	0.85
60.08059	2.68
60.08103	5.02
60.08147	7.23
60.08191	6.45
60.08235	3.95
60.08280	1.64
60.08324	0.40
60.08368	0.12
60.08408	0.13
60.08452	0.08
60.08496	0.08
60.08540	0.03
60.08584	0.00
60.08628	0.00
60.08672	0.00
60.08716	0.00
61.08191	0.00
61.08236	0.00
61.08281	0.00
61.08327	0.00
61.08372	0.02
61.08417	0.04
61.08462	0.04
61.08508	0.03
61.08553	0.02
61.08597	0.00
61.08642	0.00
61.08687	0.00
61.08733	0.00
62.73300	0.00
62.73347	0.00
62.73394	0.00
62.73441	0.00
62.73488	0.02
62.73535	0.03
62.73582	0.04
62.73630	0.04
62.73677	0.03
62.73728	0.00
62.73775	0.00
62.73823	0.00
62.73870	0.00
62.92530	0.00
62.92577	0.00
62.92625	0.00
62.92672	0.00
62.92719	0.03
62.92767	0.03
62.92814	0.04
62.92862	0.13
62.92909	0.29
62.92956	0.46
62.93004	0.51
62.93051	0.35
62.93098	0.18
62.93146	0.04
62.93193	0.00
62.93236	0.00
62.93283	0.00
62.93330	0.00
62.93378	0.00
64.92374	0.00
64.92424	0.00
64.92473	0.00
64.92523	0.00
64.92573	0.02
64.92622	0.09
64.92672	0.31
64.92721	0.65
64.92771	1.02
64.92821	1.06
64.92870	0.70
64.92920	0.34
64.92970	0.09
64.93019	0.01
64.93062	0.00
64.93111	0.00
64.93161	0.00
64.93211	0.00
71.01982	0.00
71.02038	0.00
71.02095	0.00
71.02152	0.00
71.02209	0.03
71.02265	0.03
71.02322	0.04
71.02379	0.03
71.02436	0.02
71.02486	0.00
71.02543	0.00
71.02600	0.00
71.02657	0.00
78.35170	0.00
78.35236	0.00
78.35302	0.00
78.35367	0.00
78.35433	0.02
78.35499	0.04
78.35565	0.05
78.35631	0.04
78.35696	0.02
78.35755	0.00
78.35821	0.00
78.35887	0.00
78.35953	0.00
86.09164	0.00
86.09240	0.00
86.09316	0.00
86.09392	0.00
86.09467	0.03
86.09543	0.09
86.09619	0.17
86.09695	0.23
86.09770	0.18
86.09846	0.10
86.09922	0.03
86.09997	0.00
86.10073	0.00
86.10149	0.00
86.10224	0.00
87.01659	0.00
87.01736	0.00
87.01813	0.00
87.01890	0.00
87.01967	0.00
87.02044	0.00
87.02121	0.00
87.02198	0.00
87.02275	0.00
87.02352	0.00
87.02429	0.00
87.02506	0.00
87.02583	0.00
87.02660	0.00
87.02737	0.00
87.02814	0.00
87.02891	0.00
87.02968	0.00
87.03045	0.00
87.03122	0.00
87.03199	0.00
87.03276	0.00
87.03353	0.00
87.03430	0.00
87.03507	0.00
87.03584	0.44
87.03661	0.00
87.03739	0.00
87.03816	0.22
87.03893	0.69
87.03970	1.67
87.04047	2.23
87.04124	3.25
87.04202	10.50
87.04279	35.46
87.04356	68.06
87.04433	100.00
87.04510	91.51
87.04587	56.85
87.04664	24.91
87.04741	6.98
87.04818	2.52
87.04895	2.21
87.04972	1.25
87.05049	0.55
87.05126	0.27
87.05203	0.00
87.05279	0.00
87.05356	0.00
87.05433	0.00
87.05510	0.00
87.05587	0.00
87.05664	0.00
87.05741	0.00
87.05818	0.00
87.05895	0.00
87.05972	0.00
87.06049	0.00
87.06129	0.00
87.06206	0.00
87.06283	0.00
87.06360	0.00
88.04191	0.00
88.04269	0.00
88.04348	0.00
88.04426	0.00
88.04504	0.02
88.04583	0.09
88.04661	0.26
88.04739	0.43
88.04818	0.52
88.04896	0.37
88.04974	0.19
88.05053	0.05
88.05131	0.00
88.05193	0.00
88.05272	0.00
88.05350	0.00
88.05428	0.00
103.10818	0.00
103.10917	0.00
103.11017	0.00
103.11116	0.00
103.11215	0.04
103.11315	0.04
103.11414	0.04
103.11513	0.04
103.11613	0.02
103.11710	0.00
103.11810	0.00
103.11909	0.00
103.12008	0.00
104.95291	0.00
104.95393	0.00
104.95495	0.00
104.95597	0.00
104.95699	0.02
104.95801	0.05
104.95903	0.07
104.96005	0.06
104.96107	0.04
104.96208	0.00
104.96310	0.00
104.96412	0.00
104.96514	0.00
105.94611	0.00
105.94714	0.00
105.94818	0.00
105.94921	0.00
105.95025	0.00
105.95128	0.04
105.95232	0.14
105.95335	0.25
105.95438	0.31
105.95542	0.21
105.95645	0.11
105.95749	0.03
105.95841	0.00
105.95945	0.00
105.96048	0.00
105.96152	0.00
121.95492	0.00
121.95620	0.00
121.95748	0.00
121.95876	0.00
121.96003	0.04
121.96131	0.11
121.96259	0.43
121.96387	1.14
121.96514	1.90
121.96642	2.30
121.96770	1.69
121.96898	0.94
121.97025	0.29
121.97153	0.08
121.97281	0.04
121.97409	0.04
121.97534	0.07
121.97661	0.00
121.97809	0.00
121.97937	0.00
121.98064	0.00
121.98192	0.00
122.95378	0.00
122.95507	0.00
122.95637	0.00
122.95766	0.00
122.95895	0.02
122.96025	0.04
122.96154	0.08
122.96283	0.10
122.96413	0.11
122.96542	0.21
122.96671	0.59
122.96801	1.15
122.96930	1.72
122.97059	1.61
122.97189	1.00
122.97318	0.43
122.97447	0.10
122.97577	0.02
122.97682	0.00
122.97812	0.00
122.97941	0.00
122.98071	0.00
123.94753	0.00
123.94884	0.00
123.95015	0.00
123.95146	0.00
123.95277	0.00
123.95408	0.05
123.95539	0.08
123.95670	0.16
123.95801	0.16
123.95931	0.46
123.96062	1.75
123.96193	4.71
123.96324	7.90
123.96455	9.58
123.96586	7.02
123.96717	3.93
123.96848	1.24
123.96979	0.35
123.97110	0.17
123.97241	0.12
123.97372	0.02
123.97489	0.00
123.97620	0.00
123.97751	0.00
123.97882	0.00
144.96895	0.00
144.97061	0.00
144.97226	0.00
144.97392	0.00
144.97557	0.00
144.97723	0.08
144.97888	0.23
144.98054	0.39
144.98220	0.46
144.98385	0.33
144.98551	0.18
144.98716	0.05
144.98882	0.00
144.99131	0.00
144.99296	0.00
144.99462	0.00
144.99628	0.00
145.97164	0.00
145.97331	0.00
145.97499	0.00
145.97666	0.00
145.97833	0.02
145.98000	0.06
145.98168	0.12
145.98335	0.26
145.98502	0.42
145.98670	0.47
145.98837	0.31
145.99004	0.15
145.99172	0.02
145.99260	0.00
145.99427	0.00
145.99594	0.00
145.99762	0.00
146.04783	0.00
146.04950	0.00
146.05118	0.00
146.05285	0.00
146.05452	0.03
146.05620	0.07
146.05787	0.15
146.05955	0.22
146.06122	0.17
146.06290	0.10
146.06457	0.04
146.06624	0.00
146.06792	0.00
146.06959	0.00
146.07127	0.00
146.08299	0.00
146.08467	0.00
146.08634	0.00
146.08801	0.00
146.08969	0.00
146.09136	0.00
146.09304	0.00
146.09471	0.00
146.09639	0.00
146.09806	0.10
146.09974	0.01
146.10140	0.00
146.10308	0.04
146.10475	0.16
146.10643	0.41
146.10810	0.63
146.10978	0.80
146.11145	2.42
146.11313	8.51
146.11480	17.66
146.11648	27.44
146.11816	27.59
146.11983	17.85
146.12151	8.69
146.12318	2.50
146.12486	0.83
146.12653	0.66
146.12821	0.42
146.12988	0.17
146.13156	0.09
146.13323	0.00
146.13490	0.00
146.13657	0.00
146.13825	0.00
146.13992	0.00
146.96451	0.00
146.96620	0.00
146.96789	0.00
146.96958	0.00
146.97127	0.04
146.97296	0.07
146.97465	0.24
146.97634	0.82
146.97803	1.54
146.97972	2.19
146.98141	1.90
146.98310	1.16
146.98479	0.47
146.98648	0.13
146.98817	0.05
146.98986	0.04
146.99157	0.09
146.99326	0.01
146.99495	0.00
146.99664	0.00
146.99833	0.00
147.00002	0.00
147.10828	0.00
147.10997	0.00
147.11166	0.00
147.11335	0.00
147.11505	0.02
147.11674	0.05
147.11843	0.12
147.12012	0.19
147.12182	0.20
147.12351	0.10
147.12520	0.05
147.12690	0.01
147.12859	0.00
147.13028	0.00
147.13197	0.00
147.13367	0.00
166.66358	0.00
166.66562	0.00
166.66766	0.00
166.66970	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	130.0863
Annotation	D-Pipecolic acid
Peak:m/z	Relative Intensity
49.50260	0.00
49.50293	0.00
49.50326	0.00
49.50359	0.00
54.04450	0.00
54.04488	0.00
54.04525	0.00
54.04563	0.00
54.04601	0.52
54.04638	0.93
54.04676	1.12
54.04714	0.97
54.04752	0.59
54.04787	0.00
54.04824	0.00
54.04862	0.00
54.04900	0.00
57.06830	0.00
57.06871	0.00
57.06912	0.00
57.06953	0.00
57.06994	0.74
57.07035	1.34
57.07075	1.64
57.07116	1.39
57.07157	0.76
57.07197	0.00
57.07238	0.00
57.07278	0.00
57.07319	0.00
58.67797	0.00
58.67840	0.00
58.67882	0.00
58.67925	0.00
58.67968	0.45
58.68010	0.91
58.68053	1.13
58.68096	0.95
58.68138	0.50
58.68189	0.00
58.68232	0.00
58.68274	0.00
58.68317	0.00
59.05763	0.00
59.05806	0.00
59.05849	0.00
59.05892	0.00
59.05935	0.69
59.05978	1.36
59.06021	4.34
59.06064	8.45
59.06107	12.55
59.06150	11.74
59.06194	7.21
59.06237	3.02
59.06280	0.37
59.06313	0.00
59.06356	0.00
59.06399	0.00
59.06442	0.00
60.04216	0.00
60.04261	0.00
60.04305	0.00
60.04349	0.00
60.04393	0.40
60.04437	1.08
60.04481	1.73
60.04525	1.89
60.04569	1.41
60.04614	0.66
60.04657	0.00
60.04701	0.00
60.04745	0.00
60.04789	0.00
61.03759	0.00
61.03804	0.00
61.03849	0.00
61.03895	0.00
61.03940	0.71
61.03985	1.38
61.04030	1.80
61.04076	1.69
61.04121	1.10
61.04166	0.43
61.04210	0.00
61.04256	0.00
61.04301	0.00
61.04346	0.00
61.97968	0.00
61.98015	0.00
61.98061	0.00
61.98107	0.00
61.98153	0.43
61.98200	0.92
61.98246	1.21
61.98292	1.14
61.98339	0.75
61.98384	0.00
61.98430	0.00
61.98476	0.00
61.98523	0.00
63.23751	0.00
63.23799	0.00
63.23847	0.00
63.23894	0.00
63.23942	0.70
63.23990	1.08
63.24037	1.20
63.24085	0.98
63.24133	0.54
63.24171	0.00
63.24219	0.00
63.24266	0.00
63.24314	0.00
74.09315	0.00
74.09376	0.00
74.09436	0.00
74.09497	0.00
74.09557	0.37
74.09618	1.00
74.09678	1.48
74.09739	1.48
74.09799	1.03
74.09860	0.47
74.09912	0.00
74.09972	0.00
74.10033	0.00
74.10093	0.00
84.07231	0.00
84.07304	0.00
84.07377	0.00
84.07450	0.00
84.07524	0.00
84.07597	0.00
84.07670	0.00
84.07748	2.58
84.07821	3.68
84.07894	10.78
84.07968	35.21
84.08041	67.68
84.08114	100.00
84.08187	92.84
84.08260	57.75
84.08333	25.43
84.08406	6.26
84.08479	1.07
84.08553	0.54
84.08621	0.00
84.08694	0.00
84.08767	0.00
84.08840	0.00
85.03396	0.00
85.03471	0.00
85.03545	0.00
85.03619	0.00
85.03694	0.25
85.03768	1.14
85.03842	4.82
85.03917	9.93
85.03991	15.13
85.04066	14.11
85.04140	8.59
85.04214	3.53
85.04289	0.69
85.04360	0.00
85.04434	0.00
85.04508	0.00
85.04583	0.00
88.04506	0.00
88.04584	0.00
88.04662	0.00
88.04741	0.00
88.04819	0.40
88.04897	1.11
88.04976	2.14
88.05054	2.85
88.05133	2.67
88.05211	1.71
88.05289	0.64
88.05366	0.00
88.05445	0.00
88.05523	0.00
88.05601	0.00
89.60772	0.00
89.60853	0.00
89.60933	0.00
89.61014	0.00
89.61094	0.68
89.61175	1.12
89.61255	1.27
89.61336	1.06
89.61416	0.64
89.61483	0.00
89.61564	0.00
89.61644	0.00
89.61725	0.00
105.09180	0.00
105.09283	0.00
105.09385	0.00
105.09487	0.00
105.09589	0.71
105.09691	1.14
105.09793	1.32
105.09896	1.16
105.09998	0.76
105.10132	0.00
105.10234	0.00
105.10336	0.00
105.10438	0.00
130.05499	0.00
130.05640	0.00
130.05781	0.00
130.05921	0.00
130.06062	0.70
130.06203	2.81
130.06343	6.21
130.06484	10.12
130.06625	10.35
130.06766	6.48
130.06906	2.81
130.07047	0.42
130.07134	0.00
130.07274	0.00
130.07415	0.00
130.07556	0.00
130.07696	0.00
130.07837	0.79
130.07978	1.13
130.08119	4.34
130.08259	16.05
130.08400	34.48
130.08541	54.44
130.08681	56.72
130.08822	37.31
130.08963	18.69
130.09104	5.01
130.09244	1.02
130.09369	0.00
130.09510	0.00
130.09651	0.00
130.09792	0.00
130.14860	0.00
130.15001	0.00
130.15142	0.00
130.15283	0.00
130.15424	0.95
130.15564	4.00
130.15705	8.10
130.15846	12.16
130.15987	11.22
130.16128	6.89
130.16269	2.93
130.16410	0.76
130.16559	0.00
130.16700	0.00
130.16841	0.00
130.16982	0.00
147.34219	0.00
147.34388	0.00
147.34558	0.00
147.34728	0.00
147.34897	0.47
147.35067	1.08
147.35237	1.51
147.35406	1.40
147.35576	0.83
147.35746	0.00
147.35915	0.00
147.36085	0.00
147.36255	0.00
151.51204	0.00
151.51380	0.00
151.51557	0.00
151.51734	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	229.1546
Annotation	Pro Leu
Peak:m/z	Relative Intensity
49.50263	0.00
49.50296	0.00
49.50329	0.00
49.50362	0.00
51.70678	0.00
51.70713	0.00
51.70749	0.00
51.70784	0.00
51.70819	0.19
51.70855	0.34
51.70890	0.40
51.70925	0.33
51.70960	0.18
51.70988	0.00
51.71024	0.00
51.71059	0.00
51.71094	0.00
60.07882	0.00
60.07926	0.00
60.07970	0.00
60.08014	0.00
60.08058	0.15
60.08103	0.46
60.08147	0.75
60.08191	0.81
60.08235	0.60
60.08279	0.29
60.08321	0.00
60.08365	0.00
60.08410	0.00
60.08454	0.00
62.70195	0.00
62.70242	0.00
62.70289	0.00
62.70336	0.00
62.70383	0.20
62.70430	0.36
62.70477	0.48
62.70524	0.47
62.70571	0.34
62.70618	0.00
62.70665	0.00
62.70712	0.00
62.70759	0.00
63.30579	0.00
63.30626	0.00
63.30674	0.00
63.30722	0.00
63.30770	0.22
63.30818	0.40
63.30865	0.47
63.30913	0.38
63.30961	0.19
63.31003	0.00
63.31051	0.00
63.31098	0.00
63.31146	0.00
70.06230	0.00
70.06285	0.00
70.06341	0.00
70.06397	0.00
70.06452	0.16
70.06508	0.42
70.06563	0.67
70.06619	0.74
70.06675	0.57
70.06730	0.29
70.06769	0.00
70.06824	0.00
70.06880	0.00
70.06936	0.00
89.73822	0.00
89.73903	0.00
89.73984	0.00
89.74064	0.00
89.74145	0.21
89.74225	0.41
89.74306	0.51
89.74387	0.45
89.74467	0.27
89.74548	0.00
89.74628	0.00
89.74709	0.00
89.74790	0.00
90.11191	0.00
90.11272	0.00
90.11354	0.00
90.11435	0.00
90.11516	0.23
90.11597	0.41
90.11678	0.50
90.11759	0.45
90.11840	0.28
90.11884	0.00
90.11965	0.00
90.12046	0.00
90.12127	0.00
142.07444	0.00
142.07605	0.00
142.07765	0.00
142.07926	0.00
142.08087	0.34
142.08247	1.08
142.08408	2.20
142.08569	3.33
142.08729	3.22
142.08890	2.05
142.09051	0.97
142.09211	0.29
142.09373	0.00
142.09533	0.00
142.09694	0.00
142.09855	0.00
150.66129	0.00
150.66304	0.00
150.66480	0.00
150.66655	0.00
150.66831	0.27
150.67006	0.46
150.67182	0.54
150.67357	0.46
150.67532	0.27
150.67705	0.00
150.67881	0.00
150.68056	0.00
150.68232	0.00
153.95048	0.00
153.95229	0.00
153.95411	0.00
153.95592	0.00
153.95773	0.32
153.95954	1.03
153.96135	2.00
153.96317	2.89
153.96498	2.52
153.96679	1.51
153.96860	0.53
153.97041	0.18
153.97227	0.00
153.97408	0.00
153.97589	0.00
153.97770	0.00
159.45707	0.00
159.45898	0.00
159.46089	0.00
159.46280	0.00
159.46471	0.19
159.46662	0.52
159.46853	1.23
159.47044	2.16
159.47235	2.39
159.47426	1.55
159.47617	0.63
159.47808	0.21
159.47997	0.00
159.48188	0.00
159.48379	0.00
159.48570	0.00
162.95724	0.00
162.95922	0.00
162.96119	0.00
162.96316	0.00
162.96514	0.36
162.96711	0.60
162.96908	0.70
162.97106	0.58
162.97303	0.31
162.97500	0.00
162.97697	0.00
162.97894	0.00
162.98092	0.00
163.95230	0.00
163.95429	0.00
163.95628	0.00
163.95827	0.00
163.96026	0.24
163.96226	0.46
163.96425	0.57
163.96624	0.46
163.96823	0.22
163.97030	0.00
163.97229	0.00
163.97428	0.00
163.97627	0.00
165.45810	0.00
165.46012	0.00
165.46214	0.00
165.46416	0.00
165.46618	0.28
165.46820	0.59
165.47022	0.81
165.47224	0.77
165.47426	0.51
165.47627	0.20
165.47846	0.00
165.48048	0.00
165.48249	0.00
165.48451	0.00
229.11925	0.00
229.12254	0.00
229.12583	0.00
229.12912	0.00
229.13241	0.29
229.13570	1.61
229.13899	2.16
229.14228	6.27
229.14557	22.57
229.14886	54.09
229.15215	88.30
229.15544	100.00
229.15873	69.77
229.16202	37.35
229.16531	11.34
229.16860	3.39
229.17189	1.99
229.17518	1.32
229.17847	0.21
229.18177	0.00
229.18506	0.00
229.18835	0.00
229.19164	0.00
252.52289	0.00
252.52669	0.00
252.53050	0.00
252.53431	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	258.1097
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
49.50239	0.00
49.50272	0.00
49.50305	0.00
49.50338	0.00
77.99118	0.00
77.99183	0.00
77.99248	0.00
77.99314	0.00
77.99379	0.30
77.99444	0.58
77.99510	0.68
77.99575	0.53
77.99640	0.26
77.99699	0.00
77.99764	0.00
77.99829	0.00
77.99895	0.00
86.09169	0.00
86.09245	0.00
86.09320	0.00
86.09396	0.00
86.09472	0.42
86.09548	1.61
86.09623	2.69
86.09699	3.36
86.09775	2.53
86.09851	1.40
86.09927	0.29
86.09987	0.00
86.10063	0.00
86.10139	0.00
86.10214	0.00
104.09445	0.00
104.09545	0.00
104.09646	0.00
104.09747	0.00
104.09848	0.30
104.09948	0.57
104.10049	0.88
104.10150	1.81
104.10251	2.05
104.10351	5.54
104.10452	20.01
104.10553	51.06
104.10654	84.63
104.10754	100.00
104.10855	71.85
104.10956	39.56
104.11057	12.08
104.11157	3.31
104.11258	1.70
104.11359	1.41
104.11460	0.73
104.11560	0.09
104.11645	0.00
104.11746	0.00
104.11847	0.00
104.11948	0.00
124.98951	0.00
124.99084	0.00
124.99216	0.00
124.99349	0.00
124.99482	0.08
124.99614	0.81
124.99747	2.57
124.99879	4.44
125.00012	5.59
125.00144	4.20
125.00277	2.36
125.00410	0.64
125.00542	0.00
125.00664	0.00
125.00796	0.00
125.00929	0.00
125.01062	0.00
184.05552	0.00
184.05788	0.00
184.06025	0.00
184.06262	0.00
184.06499	0.43
184.06736	2.00
184.06973	4.02
184.07210	6.06
184.07447	5.66
184.07683	3.54
184.07920	1.57
184.08157	0.39
184.08414	0.00
184.08650	0.00
184.08887	0.00
184.09124	0.00
224.47056	0.00
224.47375	0.00
224.47694	0.00
224.48013	0.00
224.48332	0.27
224.48651	0.53
224.48970	0.65
224.49289	0.54
224.49608	0.28
224.49930	0.00
224.50249	0.00
224.50568	0.00
224.50887	0.00
240.08006	0.00
240.08359	0.00
240.08712	0.00
240.09065	0.00
240.09417	0.22
240.09770	0.51
240.10123	0.69
240.10476	0.63
240.10829	0.39
240.11212	0.00
240.11564	0.00
240.11917	0.00
240.12270	0.00
258.07506	0.00
258.07899	0.00
258.08292	0.00
258.08685	0.00
258.09079	0.22
258.09472	1.07
258.09865	4.14
258.10258	11.05
258.10652	18.52
258.11045	22.39
258.11438	16.38
258.11832	9.12
258.12225	2.76
258.12619	0.71
258.13012	0.37
258.13389	0.00
258.13782	0.00
258.14176	0.00
258.14569	0.00
258.25195	0.00
258.25588	0.00
258.25982	0.00
258.26376	0.00
258.26769	0.32
258.27163	0.84
258.27557	1.38
258.27950	1.54
258.28344	1.18
258.28738	0.59
258.29132	0.14
258.29525	0.00
258.29919	0.00
258.30313	0.00
258.30707	0.00
282.82306	0.00
282.82757	0.00
282.83208	0.00
282.83659	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	403.1362
Annotation	Nobiletin
Peak:m/z	Relative Intensity
49.50261	0.00
49.50294	0.00
49.50327	0.00
49.50360	0.00
53.37545	0.00
53.37582	0.00
53.37619	0.00
53.37656	0.00
53.37693	2.07
53.37730	3.52
53.37767	4.00
53.37804	3.12
53.37841	1.43
53.37861	0.00
53.37898	0.00
53.37935	0.00
53.37972	0.00
73.62295	0.00
73.62355	0.00
73.62415	0.00
73.62474	0.00
73.62534	2.66
73.62594	3.78
73.62654	4.30
73.62714	3.84
73.62774	2.54
73.62833	0.00
73.62893	0.00
73.62953	0.00
73.63013	0.00
74.39960	0.00
74.40021	0.00
74.40082	0.00
74.40143	0.00
74.40204	2.18
74.40265	3.74
74.40326	4.27
74.40387	3.45
74.40447	1.87
74.40499	0.00
74.40560	0.00
74.40621	0.00
74.40682	0.00
84.64704	0.00
84.64778	0.00
84.64851	0.00
84.64925	0.00
84.64999	2.18
84.65073	3.74
84.65147	4.58
84.65221	4.29
84.65295	3.11
84.65329	0.00
84.65403	0.00
84.65476	0.00
84.65550	0.00
130.29960	0.00
130.30101	0.00
130.30242	0.00
130.30383	0.00
130.30524	2.41
130.30665	3.82
130.30806	4.49
130.30948	4.06
130.31089	2.73
130.31231	0.00
130.31372	0.00
130.31513	0.00
130.31654	0.00
168.66948	0.00
168.67156	0.00
168.67364	0.00
168.67572	0.00
168.67780	2.54
168.67987	4.47
168.68195	5.44
168.68403	4.76
168.68611	2.83
168.68848	0.00
168.69056	0.00
168.69264	0.00
168.69472	0.00
206.03353	0.00
206.03633	0.00
206.03914	0.00
206.04194	0.00
206.04475	2.60
206.04755	12.32
206.05036	29.54
206.05316	48.11
206.05597	51.88
206.05877	34.80
206.06158	17.49
206.06439	4.66
206.06719	1.90
206.07014	0.00
206.07294	0.00
206.07575	0.00
206.07856	0.00
294.26170	0.00
294.26649	0.00
294.27128	0.00
294.27607	0.00
294.28086	2.04
294.28564	4.07
294.29043	4.97
294.29522	4.01
294.30001	2.02
294.30478	0.00
294.30957	0.00
294.31436	0.00
294.31915	0.00
301.98999	0.00
301.99497	0.00
301.99994	0.00
302.00492	0.00
302.00990	2.01
302.01488	4.36
302.01986	5.76
302.02484	5.28
302.02981	3.42
302.03473	0.00
302.03971	0.00
302.04469	0.00
302.04967	0.00
403.06938	0.00
403.07706	0.00
403.08473	0.00
403.09241	0.00
403.10009	2.57
403.10776	6.71
403.11544	25.85
403.12312	58.62
403.13079	93.84
403.13847	100.00
403.14615	66.59
403.15383	33.43
403.16151	9.46
403.16918	2.71
403.17686	0.00
403.18454	0.00
403.19222	0.00
403.19990	0.00
434.33766	0.00
434.34625	0.00
434.35484	0.00
434.36342	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	195.05
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
49.50344	0.00
49.50377	0.00
49.50410	0.00
49.50443	0.00
50.42858	0.00
50.42892	0.00
50.42926	0.00
50.42960	0.00
50.42994	0.02
50.43028	0.05
50.43062	0.07
50.43096	0.07
50.43130	0.04
50.43166	0.00
50.43200	0.00
50.43234	0.00
50.43268	0.00
53.64798	0.00
53.64835	0.00
53.64872	0.00
53.64910	0.00
53.64947	0.03
53.64984	0.06
53.65022	0.07
53.65059	0.06
53.65096	0.03
53.65134	0.00
53.65172	0.00
53.65209	0.00
53.65246	0.00
55.01480	0.00
55.01519	0.00
55.01558	0.00
55.01597	0.00
55.01635	0.03
55.01674	0.07
55.01713	0.09
55.01751	0.07
55.01790	0.04
55.01829	0.00
55.01868	0.00
55.01906	0.00
55.01945	0.00
55.23801	0.00
55.23840	0.00
55.23879	0.00
55.23918	0.00
55.23957	0.02
55.23996	0.05
55.24035	0.07
55.24074	0.06
55.24112	0.03
55.24152	0.00
55.24191	0.00
55.24230	0.00
55.24269	0.00
55.81208	0.00
55.81248	0.00
55.81288	0.00
55.81327	0.00
55.81367	0.03
55.81406	0.05
55.81446	0.07
55.81485	0.05
55.81525	0.03
55.81564	0.00
55.81604	0.00
55.81644	0.00
55.81683	0.00
55.89720	0.00
55.89760	0.00
55.89800	0.00
55.89839	0.00
55.89879	0.05
55.89918	0.07
55.89958	0.08
55.89998	0.06
55.90037	0.03
55.90075	0.00
55.90115	0.00
55.90154	0.00
55.90194	0.00
57.02984	0.00
57.03025	0.00
57.03066	0.00
57.03106	0.00
57.03147	0.04
57.03188	0.25
57.03229	0.65
57.03270	1.08
57.03311	1.27
57.03351	0.91
57.03392	0.50
57.03433	0.15
57.03474	0.02
57.03519	0.00
57.03560	0.00
57.03601	0.00
57.03642	0.00
59.00695	0.00
59.00738	0.00
59.00781	0.00
59.00824	0.00
59.00867	0.00
59.00910	0.00
59.00953	0.00
59.00996	0.00
59.01039	0.00
59.01079	0.28
59.01122	1.15
59.01165	2.38
59.01208	3.67
59.01251	3.57
59.01294	2.27
59.01337	1.06
59.01380	0.31
59.01423	0.11
59.01466	0.09
59.01509	0.05
59.01563	0.00
59.01606	0.00
59.01649	0.00
59.01692	0.00
68.99274	0.00
68.99329	0.00
68.99383	0.00
68.99437	0.00
68.99492	0.03
68.99546	0.09
68.99600	0.17
68.99655	0.21
68.99709	0.19
68.99763	0.11
68.99818	0.05
68.99867	0.00
68.99921	0.00
68.99976	0.00
69.00030	0.00
71.00760	0.00
71.00816	0.00
71.00873	0.00
71.00930	0.00
71.00987	0.05
71.01043	0.30
71.01100	1.01
71.01157	1.77
71.01214	2.37
71.01270	1.90
71.01327	1.12
71.01384	0.40
71.01441	0.10
71.01497	0.01
71.01566	0.00
71.01622	0.00
71.01679	0.00
71.01736	0.00
72.98666	0.00
72.98725	0.00
72.98784	0.00
72.98843	0.00
72.98902	0.02
72.98961	0.09
72.99021	0.32
72.99080	0.58
72.99139	0.79
72.99198	0.65
72.99257	0.38
72.99316	0.13
72.99375	0.03
72.99433	0.00
72.99492	0.00
72.99551	0.00
72.99610	0.00
74.99956	0.00
75.00018	0.00
75.00079	0.00
75.00141	0.00
75.00203	0.06
75.00264	0.21
75.00326	0.61
75.00387	0.80
75.00449	1.22
75.00511	4.15
75.00572	14.03
75.00634	26.57
75.00695	38.53
75.00757	34.54
75.00819	21.29
75.00880	9.10
75.00942	2.56
75.01004	0.96
75.01065	0.83
75.01127	0.44
75.01188	0.19
75.01250	0.05
75.01317	0.00
75.01379	0.00
75.01440	0.00
75.01502	0.00
82.06280	0.00
82.06351	0.00
82.06421	0.00
82.06492	0.00
82.06562	0.04
82.06633	0.07
82.06703	0.10
82.06774	0.09
82.06844	0.05
82.06915	0.00
82.06986	0.00
82.07056	0.00
82.07127	0.00
83.00717	0.00
83.00789	0.00
83.00861	0.00
83.00933	0.00
83.01004	0.02
83.01076	0.07
83.01148	0.12
83.01220	0.14
83.01291	0.11
83.01363	0.05
83.01436	0.00
83.01507	0.00
83.01579	0.00
83.01651	0.00
84.01613	0.00
84.01686	0.00
84.01759	0.00
84.01832	0.00
84.01905	0.04
84.01978	0.08
84.02051	0.09
84.02124	0.07
84.02197	0.03
84.02269	0.00
84.02342	0.00
84.02415	0.00
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85.02126	0.00
85.02200	0.00
85.02275	0.00
85.02349	0.00
85.02423	0.02
85.02498	0.14
85.02572	0.58
85.02646	1.63
85.02721	2.74
85.02795	3.39
85.02869	2.53
85.02944	1.45
85.03018	0.46
85.03093	0.11
85.03167	0.01
85.03242	0.00
85.03317	0.00
85.03391	0.00
85.03465	0.00
86.99864	0.00
86.99941	0.00
87.00018	0.00
87.00095	0.00
87.00172	0.03
87.00249	0.12
87.00325	0.13
87.00402	0.37
87.00479	1.42
87.00556	4.41
87.00633	7.62
87.00710	10.00
87.00787	7.87
87.00864	4.63
87.00941	1.60
87.01018	0.45
87.01095	0.15
87.01172	0.10
87.01249	0.02
87.01329	0.00
87.01406	0.00
87.01483	0.00
87.01560	0.00
87.03793	0.00
87.03870	0.00
87.03947	0.00
87.04024	0.00
87.04101	0.03
87.04178	0.09
87.04255	0.15
87.04332	0.18
87.04409	0.15
87.04486	0.09
87.04563	0.03
87.04639	0.00
87.04716	0.00
87.04793	0.00
87.04871	0.00
89.01555	0.00
89.01634	0.00
89.01714	0.00
89.01794	0.00
89.01873	0.05
89.01953	0.11
89.02033	0.43
89.02112	1.40
89.02192	2.48
89.02272	3.31
89.02351	2.66
89.02431	1.57
89.02511	0.55
89.02590	0.14
89.02670	0.05
89.02758	0.00
89.02837	0.00
89.02917	0.00
89.02997	0.00
97.02217	0.00
97.02307	0.00
97.02398	0.00
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97.02579	0.05
97.02670	0.10
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97.02851	0.14
97.02942	0.10
97.03033	0.04
97.03125	0.00
97.03215	0.00
97.03306	0.00
97.03396	0.00
98.64749	0.00
98.64841	0.00
98.64934	0.00
98.65027	0.00
98.65120	0.03
98.65213	0.07
98.65306	0.08
98.65399	0.07
98.65492	0.04
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98.65674	0.00
98.65767	0.00
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99.00337	0.47
99.00431	1.84
99.00524	5.71
99.00618	9.83
99.00711	12.83
99.00805	10.04
99.00898	5.90
99.00991	2.02
99.01085	0.57
99.01178	0.18
99.01272	0.13
99.01365	0.01
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99.01554	0.00
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101.01993	0.19
101.02090	0.59
101.02186	1.02
101.02282	1.31
101.02379	1.00
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101.02571	0.18
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104.00520	0.33
104.00621	0.31
104.00721	0.18
104.00822	0.08
104.00923	0.03
104.01011	0.00
104.01112	0.00
104.01212	0.00
104.01313	0.00
104.99899	0.00
105.00001	0.00
105.00103	0.00
105.00205	0.00
105.00307	0.06
105.00409	0.23
105.00511	0.44
105.00613	0.62
105.00715	0.51
105.00817	0.30
105.00919	0.10
105.01021	0.00
105.01141	0.00
105.01243	0.00
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105.01447	0.00
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111.00977	0.11
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111.01422	0.00
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119.03423	0.12
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119.78293	0.00
119.78417	0.00
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119.79039	0.08
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119.79415	0.00
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129.00130	0.00
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129.00825	0.20
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129.01103	0.75
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129.01381	8.41
129.01520	22.73
129.01659	38.10
129.01798	46.36
129.01937	34.13
129.02076	19.24
129.02215	6.18
129.02354	1.83
129.02493	0.85
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129.02771	0.12
129.02910	0.05
129.03054	0.00
129.03193	0.00
129.03332	0.00
129.03471	0.00
131.02446	0.00
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131.02873	0.00
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131.03442	0.09
131.03584	0.05
131.03728	0.00
131.03870	0.00
131.04012	0.00
131.04155	0.00
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141.00561	0.00
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141.01673	0.41
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141.02149	0.20
141.02308	0.06
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141.02632	0.00
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149.04348	0.16
149.04521	0.17
149.04693	0.13
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149.05046	0.00
149.05218	0.00
149.05391	0.00
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159.01775	0.07
159.01957	0.08
159.02147	0.23
159.02338	0.85
159.02528	2.04
159.02718	3.33
159.02908	3.74
159.03098	2.58
159.03289	1.36
159.03479	0.40
159.03669	0.11
159.03859	0.05
159.04062	0.00
159.04252	0.00
159.04442	0.00
159.04632	0.00
177.01732	0.00
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177.02402	0.00
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177.02849	0.07
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177.03295	1.15
177.03519	2.94
177.03742	4.87
177.03966	5.71
177.04189	4.09
177.04412	2.25
177.04636	0.69
177.04859	0.19
177.05083	0.09
177.05306	0.07
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177.05762	0.00
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194.07113	0.00
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194.07626	0.04
194.07882	0.09
194.08138	0.12
194.08395	0.10
194.08651	0.05
194.08908	0.00
194.09165	0.00
194.09421	0.00
194.09678	0.00
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194.98977	0.00
194.99235	0.00
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195.00526	0.00
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195.01043	0.00
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195.01559	0.00
195.01818	0.00
195.02076	0.60
195.02334	0.00
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195.02851	0.19
195.03109	0.60
195.03368	1.60
195.03626	2.14
195.03884	3.13
195.04143	10.44
195.04401	35.53
195.04659	68.15
195.04918	100.00
195.05176	91.29
195.05434	56.70
195.05693	24.84
195.05951	7.04
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195.06726	1.17
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195.07243	0.22
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217.17123	0.00
217.17427	0.00
217.17731	0.00
217.18034	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	86.097
Annotation	Piperidine
Peak:m/z	Relative Intensity
49.50256	0.00
49.50289	0.00
49.50322	0.00
49.50355	0.00
58.55410	0.00
58.55453	0.00
58.55495	0.00
58.55538	0.00
58.55580	0.29
58.55623	0.50
58.55665	0.62
58.55708	0.57
58.55750	0.38
58.55792	0.00
58.55835	0.00
58.55877	0.00
58.55920	0.00
59.23704	0.00
59.23747	0.00
59.23790	0.00
59.23834	0.00
59.23877	0.25
59.23920	0.47
59.23963	0.57
59.24007	0.45
59.24050	0.21
59.24085	0.00
59.24128	0.00
59.24171	0.00
59.24214	0.00
69.06675	0.00
69.06730	0.00
69.06784	0.00
69.06839	0.00
69.06893	0.32
69.06948	0.81
69.07002	1.40
69.07057	2.42
69.07111	1.42
69.07165	0.84
69.07220	0.32
69.07269	0.00
69.07323	0.00
69.07378	0.00
69.07432	0.00
75.69454	0.00
75.69516	0.00
75.69579	0.00
75.69641	0.00
75.69704	0.32
75.69766	0.49
75.69829	0.57
75.69891	0.49
75.69954	0.29
75.70007	0.00
75.70070	0.00
75.70132	0.00
75.70195	0.00
86.05533	0.00
86.05609	0.00
86.05685	0.00
86.05761	0.00
86.05836	0.42
86.05912	0.88
86.05988	1.35
86.06064	1.49
86.06139	1.19
86.06215	0.65
86.06291	0.20
86.06366	0.00
86.06442	0.00
86.06518	0.00
86.06594	0.00
86.08866	0.00
86.08942	0.00
86.09018	0.00
86.09093	0.00
86.09169	0.00
86.09245	0.86
86.09321	1.12
86.09397	3.90
86.09472	14.80
86.09548	45.16
86.09624	77.32
86.09700	100.00
86.09775	77.30
86.09851	45.21
86.09927	14.87
86.10003	4.11
86.10078	1.50
86.10154	1.30
86.10230	0.28
86.10293	0.00
86.10369	0.00
86.10445	0.00
86.10520	0.00
100.76743	0.00
100.76839	0.00
100.76935	0.00
100.77031	0.00
100.77127	0.34
100.77223	0.62
100.77319	0.72
100.77415	0.56
100.77511	0.27
100.77607	0.00
100.77703	0.00
100.77799	0.00
100.77895	0.00
106.05802	0.00
106.05905	0.00
106.06009	0.00
106.06112	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1176
Annotation	butamben
Peak:m/z	Relative Intensity
49.50262	0.00
49.50295	0.00
49.50328	0.00
49.50361	0.00
51.84494	0.00
51.84530	0.00
51.84565	0.00
51.84601	0.00
51.84636	0.31
51.84671	0.49
51.84707	0.56
51.84742	0.45
51.84778	0.23
51.84812	0.00
51.84847	0.00
51.84883	0.00
51.84918	0.00
52.95883	0.00
52.95919	0.00
52.95956	0.00
52.95992	0.00
52.96029	0.22
52.96066	0.41
52.96102	0.50
52.96139	0.45
52.96175	0.28
52.96207	0.00
52.96244	0.00
52.96281	0.00
52.96317	0.00
58.00297	0.00
58.00339	0.00
58.00381	0.00
58.00423	0.00
58.00465	0.39
58.00507	0.58
58.00549	0.61
58.00591	0.45
58.00633	0.21
58.00681	0.00
58.00723	0.00
58.00765	0.00
58.00807	0.00
58.06259	0.00
58.06301	0.00
58.06343	0.00
58.06385	0.00
58.06427	0.32
58.06468	0.76
58.06510	2.32
58.06552	4.08
58.06594	5.42
58.06636	4.28
58.06678	2.45
58.06720	0.73
58.06762	0.01
58.06791	0.00
58.06833	0.00
58.06875	0.00
58.06917	0.00
65.13167	0.00
65.13216	0.00
65.13266	0.00
65.13316	0.00
65.13366	0.33
65.13416	0.53
65.13466	0.60
65.13516	0.50
65.13565	0.27
65.13614	0.00
65.13664	0.00
65.13714	0.00
65.13764	0.00
66.52936	0.00
66.52987	0.00
66.53039	0.00
66.53090	0.00
66.53142	0.31
66.53193	0.54
66.53245	0.62
66.53296	0.47
66.53348	0.21
66.53393	0.00
66.53445	0.00
66.53496	0.00
66.53548	0.00
72.98064	0.00
72.98123	0.00
72.98182	0.00
72.98241	0.00
72.98301	0.31
72.98360	0.52
72.98419	0.60
72.98478	0.49
72.98537	0.27
72.98595	0.00
72.98654	0.00
72.98714	0.00
72.98773	0.00
74.09376	0.00
74.09436	0.00
74.09497	0.00
74.09557	0.00
74.09618	0.36
74.09678	0.67
74.09739	0.76
74.09799	0.55
74.09860	0.24
74.09917	0.00
74.09977	0.00
74.10038	0.00
74.10098	0.00
78.00098	0.00
78.00163	0.00
78.00228	0.00
78.00294	0.00
78.00359	0.28
78.00424	0.51
78.00490	0.63
78.00555	0.56
78.00620	0.34
78.00680	0.00
78.00745	0.00
78.00810	0.00
78.00876	0.00
84.93363	0.00
84.93437	0.00
84.93511	0.00
84.93586	0.00
84.93660	0.31
84.93734	0.58
84.93808	0.69
84.93883	0.56
84.93957	0.31
84.94021	0.00
84.94095	0.00
84.94169	0.00
84.94243	0.00
96.98934	0.00
96.99024	0.00
96.99115	0.00
96.99206	0.00
96.99296	0.45
96.99387	1.00
96.99477	2.13
96.99568	2.68
96.99659	1.45
96.99749	0.84
96.99840	0.31
96.99951	0.00
97.00042	0.00
97.00132	0.00
97.00223	0.00
105.02569	0.00
105.02671	0.00
105.02773	0.00
105.02875	0.00
105.02977	0.20
105.03079	0.69
105.03181	2.33
105.03283	4.25
105.03385	5.87
105.03487	4.81
105.03590	2.76
105.03692	0.81
105.03794	0.00
105.03867	0.00
105.03969	0.00
105.04071	0.00
105.04173	0.00
107.04276	0.00
107.04381	0.00
107.04486	0.00
107.04592	0.00
107.04697	0.22
107.04802	0.54
107.04907	0.78
107.05012	0.74
107.05117	0.45
107.05212	0.00
107.05317	0.00
107.05422	0.00
107.05527	0.00
118.07461	0.00
118.07583	0.00
118.07705	0.00
118.07826	0.00
118.07948	0.26
118.08070	0.55
118.08191	0.78
118.08313	0.78
118.08435	0.54
118.08557	0.23
118.08693	0.00
118.08815	0.00
118.08936	0.00
118.09058	0.00
135.03120	0.00
135.03269	0.00
135.03418	0.00
135.03566	0.00
135.03715	0.27
135.03864	1.09
135.04013	3.58
135.04162	7.98
135.04311	12.82
135.04459	14.13
135.04608	9.63
135.04757	4.99
135.04906	1.23
135.05055	0.08
135.05171	0.00
135.05320	0.00
135.05468	0.00
135.05617	0.00
148.02824	0.00
148.02995	0.00
148.03165	0.00
148.03336	0.00
148.03507	0.38
148.03678	0.73
148.03849	0.95
148.04020	0.90
148.04190	0.62
148.04361	0.31
148.04532	0.00
148.04703	0.00
148.04874	0.00
148.05045	0.00
148.05899	0.00
148.06070	0.00
148.06241	0.00
148.06412	0.00
148.06583	0.00
148.06754	1.04
148.06925	0.54
148.07121	0.87
148.07292	2.35
148.07463	7.61
148.07634	15.10
148.07805	22.78
148.07976	21.73
148.08147	13.59
148.08318	6.01
148.08489	1.32
148.08659	0.18
148.08805	0.00
148.08976	0.00
148.09146	0.00
148.09317	0.00
148.11882	0.00
148.12053	0.00
148.12224	0.00
148.12395	0.00
148.12566	0.33
148.12737	0.52
148.12908	0.62
148.13079	0.56
148.13250	0.36
148.13426	0.00
148.13597	0.00
148.13768	0.00
148.13939	0.00
161.98683	0.00
161.98879	0.00
161.99075	0.00
161.99270	0.00
161.99466	0.29
161.99661	0.51
161.99857	0.61
162.00052	0.53
162.00248	0.32
162.00451	0.00
162.00647	0.00
162.00843	0.00
162.01038	0.00
176.05760	0.00
176.05982	0.00
176.06203	0.00
176.06425	0.00
176.06646	0.36
176.06868	0.68
176.07090	0.86
176.07311	0.76
176.07533	0.45
176.07763	0.00
176.07985	0.00
176.08206	0.00
176.08428	0.00
194.06477	0.00
194.06733	0.00
194.06989	0.00
194.07246	0.00
194.07502	0.30
194.07759	0.56
194.08015	1.97
194.08272	2.90
194.08528	2.85
194.08785	2.16
194.09041	0.47
194.09296	0.00
194.09553	0.00
194.09809	0.00
194.10066	0.00
194.10322	0.62
194.10579	1.58
194.10835	6.66
194.11092	23.06
194.11348	53.83
194.11605	86.92
194.11861	100.00
194.12118	72.01
194.12374	40.33
194.12631	13.20
194.12887	2.92
194.13144	0.00
194.13402	0.00
194.13658	0.00
194.13915	0.00
194.14171	0.00
195.10232	0.00
195.10491	0.00
195.10749	0.00
195.11008	0.00
195.11266	0.19
195.11525	0.57
195.11783	1.09
195.12042	1.43
195.12300	1.34
195.12559	0.86
195.12817	0.32
195.13076	0.00
195.13334	0.00
195.13593	0.00
195.13851	0.00
217.16682	0.00
217.16986	0.00
217.17289	0.00
217.17593	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1173
Annotation	butamben
Peak:m/z	Relative Intensity
49.50261	0.00
49.50294	0.00
49.50327	0.00
49.50360	0.00
53.20019	0.00
53.20056	0.00
53.20093	0.00
53.20130	0.00
53.20166	0.22
53.20203	0.42
53.20240	0.52
53.20277	0.45
53.20314	0.25
53.20346	0.00
53.20383	0.00
53.20420	0.00
53.20457	0.00
58.06294	0.00
58.06336	0.00
58.06378	0.00
58.06420	0.00
58.06462	0.39
58.06504	1.57
58.06546	2.87
58.06588	3.97
58.06630	3.23
58.06672	1.88
58.06714	0.64
58.06756	0.27
58.06794	0.00
58.06836	0.00
58.06877	0.00
58.06919	0.00
63.20795	0.00
63.20843	0.00
63.20890	0.00
63.20938	0.00
63.20986	0.25
63.21033	0.41
63.21081	0.48
63.21129	0.42
63.21176	0.26
63.21223	0.00
63.21271	0.00
63.21318	0.00
63.21366	0.00
64.66799	0.00
64.66848	0.00
64.66897	0.00
64.66947	0.00
64.66996	0.19
64.67045	0.47
64.67095	0.68
64.67144	0.69
64.67193	0.50
64.67243	0.25
64.67292	0.00
64.67341	0.00
64.67390	0.00
64.67440	0.00
65.00074	0.00
65.00124	0.00
65.00173	0.00
65.00223	0.00
65.00273	0.27
65.00323	0.45
65.00372	0.54
65.00422	0.48
65.00472	0.28
65.00521	0.00
65.00571	0.00
65.00621	0.00
65.00671	0.00
65.11622	0.00
65.11672	0.00
65.11721	0.00
65.11771	0.00
65.11821	0.20
65.11871	0.46
65.11921	0.56
65.11971	0.43
65.12020	0.19
65.12062	0.00
65.12112	0.00
65.12162	0.00
65.12212	0.00
74.09255	0.00
74.09316	0.00
74.09376	0.00
74.09437	0.00
74.09497	0.30
74.09558	0.80
74.09618	1.90
74.09679	2.71
74.09739	2.35
74.09800	1.37
74.09860	0.56
74.09921	0.21
74.09976	0.00
74.10036	0.00
74.10097	0.00
74.10157	0.00
80.19808	0.00
80.19876	0.00
80.19944	0.00
80.20013	0.00
80.20081	0.22
80.20149	0.52
80.20217	0.72
80.20285	0.66
80.20353	0.40
80.20407	0.00
80.20475	0.00
80.20543	0.00
80.20611	0.00
96.98934	0.00
96.99025	0.00
96.99116	0.00
96.99206	0.00
96.99297	0.25
96.99388	0.61
96.99478	0.92
96.99569	0.97
96.99659	0.70
96.99750	0.32
96.99847	0.00
96.99938	0.00
97.00028	0.00
97.00119	0.00
105.02555	0.00
105.02657	0.00
105.02760	0.00
105.02862	0.00
105.02964	0.26
105.03066	0.86
105.03168	2.79
105.03270	5.12
105.03372	7.03
105.03474	5.76
105.03576	3.37
105.03678	1.11
105.03781	0.17
105.03860	0.00
105.03962	0.00
105.04064	0.00
105.04166	0.00
135.03109	0.00
135.03258	0.00
135.03406	0.00
135.03555	0.00
135.03704	0.26
135.03853	0.94
135.04002	3.40
135.04151	7.94
135.04299	12.90
135.04448	14.35
135.04597	9.79
135.04746	5.04
135.04895	1.21
135.05044	0.08
135.05184	0.00
135.05333	0.00
135.05482	0.00
135.05631	0.00
148.06255	0.00
148.06426	0.00
148.06596	0.00
148.06767	0.00
148.06938	0.42
148.07109	0.62
148.07280	1.86
148.07451	6.37
148.07622	12.85
148.07793	19.51
148.07964	18.79
148.08135	11.84
148.08306	5.37
148.08477	1.35
148.08647	0.35
148.08819	0.00
148.08990	0.00
148.09161	0.00
148.09332	0.00
176.05761	0.00
176.05983	0.00
176.06205	0.00
176.06426	0.00
176.06648	0.42
176.06869	0.92
176.07091	1.29
176.07313	1.23
176.07534	0.82
176.07756	0.34
176.07977	0.00
176.08199	0.00
176.08421	0.00
176.08642	0.00
176.09307	0.00
176.09529	0.00
176.09751	0.00
176.09972	0.00
176.10194	0.13
176.10415	0.52
176.10637	1.06
176.10859	1.42
176.11081	1.33
176.11302	0.85
176.11524	0.35
176.11754	0.00
176.11976	0.00
176.12198	0.00
176.12419	0.00
194.06478	0.00
194.06734	0.00
194.06991	0.00
194.07247	0.00
194.07504	0.12
194.07760	1.23
194.08017	2.91
194.08273	3.69
194.08530	3.16
194.08786	2.24
194.09043	0.47
194.09299	0.00
194.09555	0.00
194.09812	0.00
194.10068	0.12
194.10325	0.98
194.10581	1.71
194.10838	6.31
194.11094	21.65
194.11351	52.26
194.11608	85.09
194.11864	100.00
194.12121	73.17
194.12377	41.60
194.12634	13.83
194.12890	3.32
194.13147	0.00
194.13403	0.00
194.13660	0.00
194.13917	0.00
194.14173	0.00
217.16684	0.00
217.16988	0.00
217.17291	0.00
217.17595	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	256.2995
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
49.50259	0.00
49.50293	0.00
49.50326	0.00
49.50359	0.00
54.82889	0.00
54.82927	0.00
54.82966	0.00
54.83004	0.00
54.83043	0.24
54.83081	0.39
54.83120	0.48
54.83158	0.45
54.83197	0.34
54.83233	0.00
54.83272	0.00
54.83310	0.00
54.83349	0.00
57.06830	0.00
57.06871	0.00
57.06912	0.00
57.06953	0.00
57.06994	0.18
57.07035	0.37
57.07076	0.49
57.07116	0.45
57.07157	0.27
57.07196	0.00
57.07237	0.00
57.07278	0.00
57.07319	0.00
59.21542	0.00
59.21585	0.00
59.21629	0.00
59.21672	0.00
59.21715	0.22
59.21758	0.37
59.21801	0.45
59.21845	0.42
59.21888	0.29
59.21930	0.00
59.21974	0.00
59.22017	0.00
59.22060	0.00
60.07881	0.00
60.07925	0.00
60.07969	0.00
60.08013	0.00
60.08058	0.15
60.08102	0.40
60.08146	0.57
60.08190	0.54
60.08234	0.33
60.08279	0.10
60.08322	0.00
60.08367	0.00
60.08411	0.00
60.08455	0.00
60.41146	0.00
60.41191	0.00
60.41235	0.00
60.41280	0.00
60.41324	0.19
60.41369	0.36
60.41414	0.43
60.41458	0.37
60.41503	0.21
60.41541	0.00
60.41586	0.00
60.41630	0.00
60.41675	0.00
67.28936	0.00
67.28988	0.00
67.29041	0.00
67.29093	0.00
67.29145	0.27
67.29198	0.45
67.29250	0.49
67.29302	0.38
67.29355	0.19
67.29392	0.00
67.29444	0.00
67.29497	0.00
67.29549	0.00
84.57616	0.00
84.57690	0.00
84.57764	0.00
84.57837	0.00
84.57911	0.23
84.57985	0.49
84.58059	0.64
84.58133	0.57
84.58206	0.34
84.58278	0.00
84.58352	0.00
84.58425	0.00
84.58499	0.00
87.15617	0.00
87.15694	0.00
87.15771	0.00
87.15848	0.00
87.15925	0.24
87.16002	0.42
87.16080	0.51
87.16157	0.45
87.16234	0.28
87.16310	0.00
87.16387	0.00
87.16464	0.00
87.16541	0.00
89.05514	0.00
89.05593	0.00
89.05673	0.00
89.05753	0.00
89.05833	0.21
89.05912	0.55
89.05992	0.84
89.06072	0.87
89.06151	0.62
89.06231	0.28
89.06308	0.00
89.06388	0.00
89.06468	0.00
89.06547	0.00
92.28181	0.00
92.28265	0.00
92.28349	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28853	0.00
92.28937	0.00
92.29010	0.00
92.29095	0.00
92.29179	0.00
92.29263	0.00
105.02746	0.00
105.02848	0.00
105.02950	0.00
105.03052	0.00
105.03154	0.31
105.03256	0.64
105.03358	0.86
105.03460	0.81
105.03562	0.54
105.03665	0.24
105.03756	0.00
105.03858	0.00
105.03960	0.00
105.04062	0.00
117.06256	0.00
117.06376	0.00
117.06496	0.00
117.06616	0.00
117.06736	0.31
117.06856	0.56
117.06976	0.69
117.07097	0.60
117.07217	0.34
117.07331	0.00
117.07451	0.00
117.07571	0.00
117.07691	0.00
124.33071	0.00
124.33203	0.00
124.33334	0.00
124.33466	0.00
124.33597	0.29
124.33729	0.52
124.33860	0.62
124.33992	0.53
124.34123	0.33
124.34253	0.00
124.34385	0.00
124.34516	0.00
124.34648	0.00
125.99624	0.00
125.99758	0.00
125.99892	0.00
126.00026	0.00
126.00160	0.37
126.00295	0.50
126.00429	0.54
126.00563	0.47
126.00697	0.31
126.00829	0.00
126.00963	0.00
126.01097	0.00
126.01231	0.00
128.73930	0.00
128.74068	0.00
128.74207	0.00
128.74346	0.00
128.74484	0.27
128.74623	0.44
128.74761	0.51
128.74900	0.43
128.75038	0.25
128.75173	0.00
128.75312	0.00
128.75450	0.00
128.75589	0.00
133.07735	0.00
133.07881	0.00
133.08027	0.00
133.08172	0.00
133.08318	0.34
133.08463	0.64
133.08609	0.83
133.08755	0.75
133.08900	0.48
133.09046	0.19
133.09201	0.00
133.09346	0.00
133.09492	0.00
133.09638	0.00
188.75278	0.00
188.75524	0.00
188.75770	0.00
188.76016	0.00
188.76262	0.24
188.76508	0.48
188.76754	0.58
188.77000	0.45
188.77246	0.19
188.77505	0.00
188.77751	0.00
188.77997	0.00
188.78243	0.00
215.23709	0.00
215.24008	0.00
215.24308	0.00
215.24607	0.00
215.24907	0.21
215.25207	0.50
215.25506	0.76
215.25806	0.79
215.26105	0.57
215.26405	0.28
215.26707	0.00
215.27007	0.00
215.27306	0.00
215.27606	0.00
256.13140	0.00
256.13529	0.00
256.13917	0.00
256.14306	0.00
256.14695	0.43
256.15084	0.83
256.15473	1.07
256.15862	0.99
256.16251	0.66
256.16640	0.29
256.17032	0.00
256.17421	0.00
256.17810	0.00
256.18199	0.00
256.25201	0.00
256.25590	0.00
256.25979	0.00
256.26368	0.00
256.26757	0.42
256.27147	0.71
256.27536	1.21
256.27925	1.68
256.28314	3.10
256.28703	11.29
256.29092	37.75
256.29482	70.10
256.29871	100.00
256.30260	87.46
256.30649	53.32
256.31038	21.94
256.31428	5.94
256.31817	1.99
256.32206	1.67
256.32595	0.73
256.32985	0.73
256.33374	0.42
256.33759	0.00
256.34148	0.00
256.34538	0.00
256.34927	0.00
257.27835	0.00
257.28227	0.00
257.28618	0.00
257.29009	0.00
257.29401	0.36
257.29792	0.72
257.30184	0.95
257.30575	0.87
257.30967	0.54
257.31358	0.20
257.31750	0.00
257.32141	0.00
257.32533	0.00
257.32925	0.00
282.82297	0.00
282.82748	0.00
282.83199	0.00
282.83650	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	188.1754
Annotation	N1-Acetylspermidine
Peak:m/z	Relative Intensity
49.50258	0.00
49.50291	0.00
49.50324	0.00
49.50357	0.00
56.69111	0.00
56.69152	0.00
56.69192	0.00
56.69233	0.00
56.69273	1.02
56.69314	1.81
56.69354	2.12
56.69395	1.72
56.69435	0.89
56.69463	0.00
56.69504	0.00
56.69544	0.00
56.69585	0.00
70.89513	0.00
70.89570	0.00
70.89626	0.00
70.89683	0.00
70.89739	1.60
70.89796	2.51
70.89853	2.67
70.89909	1.97
70.89966	0.90
70.90028	0.00
70.90084	0.00
70.90141	0.00
70.90198	0.00
72.07554	0.00
72.07613	0.00
72.07671	0.00
72.07729	0.00
72.07787	0.65
72.07845	2.30
72.07903	4.08
72.07961	11.92
72.08019	37.56
72.08077	70.08
72.08135	100.00
72.08193	87.64
72.08251	53.11
72.08309	21.16
72.08367	4.68
72.08425	0.74
72.08453	0.00
72.08511	0.00
72.08569	0.00
72.08627	0.00
100.06876	0.00
100.06971	0.00
100.07066	0.00
100.07161	0.00
100.07256	0.97
100.07351	2.82
100.07446	7.25
100.07541	12.11
100.07636	12.93
100.07731	8.23
100.07825	3.65
100.07920	1.30
100.08001	0.00
100.08096	0.00
100.08191	0.00
100.08285	0.00
117.09260	0.00
117.09380	0.00
117.09501	0.00
117.09621	0.00
117.09741	0.87
117.09861	2.19
117.09981	5.97
117.10102	10.93
117.10222	15.00
117.10342	12.45
117.10462	7.29
117.10582	2.48
117.10703	1.07
117.10812	0.00
117.10933	0.00
117.11053	0.00
117.11173	0.00
123.95413	0.00
123.95544	0.00
123.95675	0.00
123.95806	0.00
123.95937	1.39
123.96068	3.31
123.96199	9.27
123.96330	15.73
123.96461	18.87
123.96592	13.68
123.96722	7.48
123.96853	2.01
123.96987	0.00
123.97118	0.00
123.97249	0.00
123.97380	0.00
126.11975	0.00
126.12110	0.00
126.12244	0.00
126.12378	0.00
126.12513	1.38
126.12647	2.41
126.12781	2.95
126.12916	2.63
126.13050	1.64
126.13174	0.00
126.13309	0.00
126.13443	0.00
126.13577	0.00
146.18529	0.00
146.18697	0.00
146.18865	0.00
146.19032	0.00
146.19200	1.54
146.19368	2.53
146.19535	2.80
146.19703	2.15
146.19871	1.04
146.20059	0.00
146.20227	0.00
146.20394	0.00
146.20562	0.00
171.12932	0.00
171.13144	0.00
171.13357	0.00
171.13569	0.00
171.13781	0.69
171.13994	2.84
171.14206	11.54
171.14418	37.83
171.14631	69.53
171.14843	98.35
171.15055	85.53
171.15268	51.97
171.15480	20.85
171.15693	4.90
171.15905	0.97
171.16108	0.00
171.16320	0.00
171.16533	0.00
171.16745	0.00
176.38379	0.00
176.38602	0.00
176.38824	0.00
176.39046	0.00
176.39268	1.17
176.39490	2.07
176.39713	2.59
176.39935	2.32
176.40157	1.41
176.40382	0.00
176.40604	0.00
176.40826	0.00
176.41048	0.00
188.10264	0.00
188.10509	0.00
188.10753	0.00
188.10998	0.00
188.11243	1.59
188.11488	4.02
188.11732	6.00
188.11977	5.97
188.12222	4.02
188.12467	1.73
188.12742	0.00
188.12987	0.00
188.13231	0.00
188.13476	0.00
188.15434	0.00
188.15679	0.00
188.15924	0.00
188.16169	0.00
188.16414	1.99
188.16659	4.23
188.16903	13.23
188.17148	30.91
188.17393	50.13
188.17638	56.06
188.17883	38.26
188.18128	19.67
188.18372	4.80
188.18617	0.36
188.18862	0.00
188.19107	0.00
188.19352	0.00
188.19597	0.00
212.11765	0.00
212.12058	0.00
212.12351	0.00
212.12644	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	447.1616
Annotation	Gefitinib
Peak:m/z	Relative Intensity
49.50264	0.00
49.50297	0.00
49.50330	0.00
49.50363	0.00
51.25726	0.00
51.25761	0.00
51.25796	0.00
51.25830	0.00
51.25865	0.62
51.25900	0.92
51.25935	1.07
51.25970	0.95
51.26004	0.59
51.26020	0.00
51.26055	0.00
51.26090	0.00
51.26125	0.00
73.12873	0.00
73.12932	0.00
73.12991	0.00
73.13051	0.00
73.13110	0.57
73.13169	1.07
73.13229	1.33
73.13288	1.16
73.13347	0.65
73.13366	0.00
73.13426	0.00
73.13485	0.00
73.13544	0.00
119.07646	0.00
119.07770	0.00
119.07893	0.00
119.08016	0.00
119.08140	0.50
119.08263	1.41
119.08386	3.74
119.08509	5.85
119.08633	5.72
119.08756	3.46
119.08879	1.39
119.09002	0.72
119.09111	0.00
119.09235	0.00
119.09358	0.00
119.09481	0.00
143.90710	0.00
143.90874	0.00
143.91037	0.00
143.91201	0.00
143.91365	0.62
143.91529	1.28
143.91692	1.64
143.91856	1.44
143.92020	0.86
143.92187	0.00
143.92351	0.00
143.92515	0.00
143.92678	0.00
149.13121	0.00
149.13294	0.00
149.13467	0.00
149.13639	0.00
149.13812	0.66
149.13985	1.22
149.14158	1.45
149.14330	1.19
149.14503	0.66
149.14678	0.00
149.14851	0.00
149.15023	0.00
149.15196	0.00
168.90455	0.00
168.90663	0.00
168.90871	0.00
168.91079	0.00
168.91288	0.71
168.91496	1.13
168.91704	1.34
168.91912	1.22
168.92121	0.79
168.92334	0.00
168.92542	0.00
168.92750	0.00
168.92959	0.00
175.02082	0.00
175.02302	0.00
175.02521	0.00
175.02741	0.00
175.02961	0.47
175.03180	1.39
175.03400	2.43
175.03620	2.94
175.03839	2.55
175.04059	1.57
175.04279	0.66
175.04509	0.00
175.04729	0.00
175.04948	0.00
175.05168	0.00
205.03005	0.00
205.03283	0.00
205.03561	0.00
205.03840	0.00
205.04118	1.02
205.04397	2.04
205.04675	2.60
205.04954	2.26
205.05232	1.30
205.05511	0.41
205.05799	0.00
205.06077	0.00
205.06356	0.00
205.06634	0.00
247.94997	0.00
247.95368	0.00
247.95738	0.00
247.96108	0.00
247.96479	0.69
247.96849	1.15
247.97219	1.37
247.97590	1.23
247.97960	0.83
247.98353	0.00
247.98724	0.00
247.99094	0.00
247.99465	0.00
250.04466	0.00
250.04842	0.00
250.05217	0.00
250.05592	0.00
250.05967	0.75
250.06342	1.33
250.06717	3.81
250.07092	13.09
250.07467	30.04
250.07842	48.44
250.08217	53.28
250.08592	36.24
250.08968	18.71
250.09343	5.05
250.09718	1.02
250.10069	0.00
250.10444	0.00
250.10820	0.00
250.11195	0.00
251.06389	0.00
251.06766	0.00
251.07144	0.00
251.07521	0.00
251.07898	0.90
251.08276	2.14
251.08653	3.16
251.09030	3.20
251.09408	2.23
251.09785	1.02
251.10172	0.00
251.10549	0.00
251.10927	0.00
251.11304	0.00
291.07504	0.00
291.07975	0.00
291.08446	0.00
291.08917	0.00
291.09388	1.15
291.09859	2.36
291.10330	4.79
291.10801	5.65
291.11273	3.00
291.11744	1.70
291.12215	0.64
291.12724	0.00
291.13195	0.00
291.13666	0.00
291.14138	0.00
364.64478	0.00
364.65139	0.00
364.65799	0.00
364.66460	0.00
364.67120	1.04
364.67781	1.66
364.68441	1.88
364.69102	1.54
364.69762	0.86
364.70434	0.00
364.71094	0.00
364.71755	0.00
364.72416	0.00
415.07546	0.00
415.08348	0.00
415.09150	0.00
415.09952	0.00
415.10754	0.45
415.11557	1.66
415.12359	5.17
415.13161	7.78
415.13963	7.56
415.14766	4.57
415.15568	1.78
415.16370	0.00
415.17188	0.00
415.17991	0.00
415.18793	0.00
415.19596	0.00
447.05192	0.00
447.06088	0.00
447.06985	0.00
447.07881	0.00
447.08778	0.00
447.09675	0.00
447.10571	0.00
447.11479	1.90
447.12375	3.17
447.13272	11.12
447.14169	37.18
447.15066	69.59
447.15963	100.00
447.16860	88.70
447.17757	54.36
447.18654	22.81
447.19551	5.99
447.20448	1.61
447.21345	1.03
447.22231	0.00
447.23128	0.00
447.24025	0.00
447.24922	0.00
458.43611	0.00
458.44542	0.00
458.45473	0.00
458.46404	0.00
458.47336	0.89
458.48267	1.42
458.49198	1.58
458.50129	1.30
458.51060	0.76
458.51992	0.00
458.52923	0.00
458.53854	0.00
458.54786	0.00
479.79573	0.00
479.80570	0.00
479.81567	0.00
479.82564	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	86.0606
Annotation	2-Pyrrolidinone
Peak:m/z	Relative Intensity
49.50256	0.00
49.50289	0.00
49.50322	0.00
49.50355	0.00
59.22190	0.00
59.22234	0.00
59.22277	0.00
59.22320	0.00
59.22363	0.11
59.22407	0.22
59.22450	0.26
59.22493	0.22
59.22536	0.12
59.22575	0.00
59.22618	0.00
59.22661	0.00
59.22705	0.00
69.02979	0.00
69.03033	0.00
69.03087	0.00
69.03142	0.00
69.03196	0.06
69.03251	0.36
69.03305	1.30
69.03359	2.44
69.03414	3.47
69.03468	3.01
69.03523	1.78
69.03577	0.67
69.03631	0.07
69.03679	0.00
69.03734	0.00
69.03788	0.00
69.03842	0.00
72.06271	0.00
72.06329	0.00
72.06387	0.00
72.06445	0.00
72.06503	0.14
72.06561	0.24
72.06619	0.29
72.06677	0.26
72.06735	0.15
72.06782	0.00
72.06840	0.00
72.06898	0.00
72.06956	0.00
86.05079	0.00
86.05155	0.00
86.05231	0.00
86.05307	0.00
86.05382	0.00
86.05458	0.46
86.05534	0.52
86.05610	1.28
86.05685	1.56
86.05761	4.44
86.05837	16.19
86.05912	46.60
86.05988	79.09
86.06064	100.00
86.06140	75.84
86.06215	43.70
86.06291	14.17
86.06367	3.93
86.06443	1.48
86.06518	1.08
86.06594	0.00
86.06669	0.00
86.06745	0.00
86.06821	0.00
86.06896	0.00
86.09169	0.00
86.09245	0.00
86.09320	0.00
86.09396	0.00
86.09472	0.23
86.09548	0.53
86.09624	1.13
86.09699	1.46
86.09775	0.79
86.09851	0.45
86.09927	0.16
86.10002	0.00
86.10078	0.00
86.10154	0.00
86.10229	0.00
86.50230	0.00
86.50307	0.00
86.50383	0.00
86.50459	0.00
86.50536	0.15
86.50612	0.27
86.50688	0.32
86.50765	0.26
86.50841	0.15
86.50916	0.00
86.50992	0.00
86.51069	0.00
86.51145	0.00
88.01685	0.00
88.01764	0.00
88.01842	0.00
88.01920	0.00
88.01999	0.18
88.02077	0.29
88.02155	0.33
88.02234	0.27
88.02312	0.14
88.02389	0.00
88.02468	0.00
88.02546	0.00
88.02624	0.00
89.07347	0.00
89.07427	0.00
89.07507	0.00
89.07586	0.00
89.07666	0.14
89.07746	0.27
89.07826	0.33
89.07905	0.28
89.07985	0.15
89.08060	0.00
89.08140	0.00
89.08220	0.00
89.08299	0.00
94.68117	0.00
94.68204	0.00
94.68292	0.00
94.68379	0.00
94.68466	0.24
94.68554	0.36
94.68641	0.39
94.68729	0.30
94.68816	0.16
94.68900	0.00
94.68988	0.00
94.69075	0.00
94.69163	0.00
98.18905	0.00
98.18997	0.00
98.19089	0.00
98.19182	0.00
98.19274	0.16
98.19366	0.30
98.19459	0.36
98.19551	0.30
98.19643	0.17
98.19735	0.00
98.19827	0.00
98.19919	0.00
98.20012	0.00
98.93994	0.00
98.94087	0.00
98.94180	0.00
98.94274	0.00
98.94367	0.17
98.94460	0.29
98.94554	0.34
98.94647	0.29
98.94740	0.18
98.94834	0.00
98.94927	0.00
98.95021	0.00
98.95114	0.00
106.05803	0.00
106.05906	0.00
106.06010	0.00
106.06114	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	162.1121
Annotation	D-Carnitine
Peak:m/z	Relative Intensity
49.50259	0.00
49.50292	0.00
49.50325	0.00
49.50358	0.00
55.35990	0.00
55.36029	0.00
55.36068	0.00
55.36107	0.00
55.36146	0.19
55.36185	0.33
55.36224	0.37
55.36264	0.30
55.36303	0.16
55.36341	0.00
55.36380	0.00
55.36419	0.00
55.36458	0.00
55.89510	0.00
55.89550	0.00
55.89589	0.00
55.89629	0.00
55.89669	0.19
55.89708	0.31
55.89748	0.36
55.89788	0.32
55.89827	0.21
55.89866	0.00
55.89906	0.00
55.89946	0.00
55.89985	0.00
56.33288	0.00
56.33328	0.00
56.33368	0.00
56.33408	0.00
56.33448	0.17
56.33488	0.32
56.33529	0.39
56.33569	0.33
56.33609	0.18
56.33647	0.00
56.33688	0.00
56.33728	0.00
56.33768	0.00
58.06336	0.00
58.06378	0.00
58.06420	0.00
58.06462	0.00
58.06504	0.13
58.06546	0.31
58.06588	0.44
58.06630	0.44
58.06672	0.29
58.06719	0.00
58.06761	0.00
58.06803	0.00
58.06845	0.00
60.07755	0.00
60.07799	0.00
60.07843	0.00
60.07887	0.00
60.07932	0.11
60.07976	0.32
60.08020	1.03
60.08064	3.19
60.08108	5.81
60.08152	8.20
60.08197	7.12
60.08241	4.28
60.08285	1.66
60.08329	0.29
60.08359	0.00
60.08403	0.00
60.08447	0.00
60.08491	0.00
69.03083	0.00
69.03138	0.00
69.03192	0.00
69.03246	0.00
69.03301	0.23
69.03355	0.39
69.03410	0.45
69.03464	0.36
69.03518	0.18
69.03570	0.00
69.03625	0.00
69.03679	0.00
69.03733	0.00
72.04125	0.00
72.04183	0.00
72.04241	0.00
72.04299	0.00
72.04357	0.17
72.04415	0.44
72.04473	0.67
72.04531	0.70
72.04589	0.52
72.04647	0.24
72.04703	0.00
72.04761	0.00
72.04819	0.00
72.04877	0.00
74.05687	0.00
74.05747	0.00
74.05808	0.00
74.05868	0.00
74.05929	0.34
74.05989	0.67
74.06050	0.90
74.06110	0.87
74.06171	0.59
74.06231	0.26
74.06283	0.00
74.06343	0.00
74.06404	0.00
74.06464	0.00
84.03942	0.00
84.04015	0.00
84.04088	0.00
84.04161	0.00
84.04234	0.17
84.04307	0.50
84.04380	1.24
84.04453	2.02
84.04526	2.06
84.04599	1.28
84.04672	0.52
84.04745	0.18
84.04818	0.00
84.04891	0.00
84.04964	0.00
84.05037	0.00
85.02354	0.00
85.02428	0.00
85.02503	0.00
85.02577	0.00
85.02651	0.29
85.02726	0.94
85.02800	1.93
85.02874	2.95
85.02949	2.84
85.03023	1.75
85.03098	0.75
85.03172	0.08
85.03246	0.00
85.03320	0.00
85.03395	0.00
85.03469	0.00
85.25827	0.00
85.25901	0.00
85.25976	0.00
85.26051	0.00
85.26125	0.28
85.26200	0.44
85.26275	0.47
85.26349	0.35
85.26424	0.16
85.26493	0.00
85.26567	0.00
85.26642	0.00
85.26717	0.00
92.28348	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28853	0.00
92.28937	0.00
92.29021	0.00
92.29105	0.00
92.29189	0.00
92.29272	0.00
92.29356	0.00
92.29440	0.00
92.29524	0.00
94.18329	0.00
94.18415	0.00
94.18502	0.00
94.18589	0.00
94.18676	0.29
94.18762	0.48
94.18849	0.54
94.18936	0.43
94.19022	0.23
94.19120	0.00
94.19207	0.00
94.19294	0.00
94.19380	0.00
97.02210	0.00
97.02301	0.00
97.02391	0.00
97.02482	0.00
97.02573	0.28
97.02663	1.07
97.02754	2.17
97.02845	3.32
97.02935	3.26
97.03026	2.06
97.03117	0.93
97.03207	0.14
97.03283	0.00
97.03374	0.00
97.03465	0.00
97.03555	0.00
98.05445	0.00
98.05537	0.00
98.05629	0.00
98.05721	0.00
98.05813	0.19
98.05905	0.51
98.05997	0.79
98.06089	0.85
98.06181	0.63
98.06273	0.31
98.06362	0.00
98.06454	0.00
98.06546	0.00
98.06638	0.00
102.04889	0.00
102.04987	0.00
102.05085	0.00
102.05183	0.00
102.05281	0.16
102.05378	0.37
102.05476	0.53
102.05574	0.51
102.05672	0.31
102.05769	0.00
102.05867	0.00
102.05965	0.00
102.06063	0.00
102.08410	0.00
102.08508	0.00
102.08606	0.00
102.08704	0.00
102.08802	0.13
102.08900	0.41
102.08997	1.14
102.09095	1.95
102.09193	2.18
102.09291	1.44
102.09389	0.60
102.09487	0.21
102.09578	0.00
102.09676	0.00
102.09774	0.00
102.09872	0.00
103.03076	0.00
103.03175	0.00
103.03274	0.00
103.03374	0.00
103.03473	0.19
103.03572	0.72
103.03671	2.93
103.03770	6.76
103.03870	10.88
103.03969	11.72
103.04068	7.87
103.04167	4.00
103.04267	1.12
103.04366	0.28
103.04470	0.00
103.04569	0.00
103.04668	0.00
103.04767	0.00
104.26389	0.00
104.26490	0.00
104.26591	0.00
104.26692	0.00
104.26793	0.22
104.26894	0.36
104.26995	0.42
104.27096	0.37
104.27197	0.26
104.27289	0.00
104.27390	0.00
104.27491	0.00
104.27592	0.00
114.04776	0.00
114.04891	0.00
114.05007	0.00
114.05122	0.00
114.05238	0.18
114.05353	0.42
114.05469	0.62
114.05584	0.66
114.05700	0.50
114.05816	0.27
114.05930	0.00
114.06046	0.00
114.06161	0.00
114.06277	0.00
115.03142	0.00
115.03259	0.00
115.03377	0.00
115.03494	0.00
115.03611	0.34
115.03728	0.69
115.03845	0.99
115.03962	1.06
115.04079	0.84
115.04196	0.48
115.04313	0.18
115.04420	0.00
115.04537	0.00
115.04654	0.00
115.04771	0.00
126.04588	0.00
126.04722	0.00
126.04857	0.00
126.04991	0.00
126.05125	0.19
126.05259	0.46
126.05394	0.74
126.05528	0.83
126.05662	0.67
126.05796	0.37
126.05931	0.12
126.06064	0.00
126.06198	0.00
126.06333	0.00
126.06467	0.00
127.02877	0.00
127.03013	0.00
127.03149	0.00
127.03285	0.00
127.03420	0.14
127.03556	0.46
127.03692	0.95
127.03828	1.88
127.03964	1.75
127.04100	1.03
127.04235	0.45
127.04371	0.16
127.04501	0.00
127.04637	0.00
127.04773	0.00
127.04909	0.00
133.45822	0.00
133.45968	0.00
133.46114	0.00
133.46261	0.00
133.46407	0.35
133.46553	0.52
133.46699	0.54
133.46846	0.38
133.46992	0.16
133.47137	0.00
133.47284	0.00
133.47430	0.00
133.47576	0.00
134.07013	0.00
134.07161	0.00
134.07308	0.00
134.07455	0.00
134.07602	0.19
134.07750	0.96
134.07897	2.29
134.08044	3.73
134.08192	4.01
134.08339	2.63
134.08486	1.26
134.08633	0.23
134.08784	0.00
134.08931	0.00
134.09078	0.00
134.09226	0.00
144.05295	0.00
144.05459	0.00
144.05623	0.00
144.05787	0.00
144.05951	0.27
144.06115	1.14
144.06279	2.87
144.06443	4.74
144.06607	5.36
144.06771	3.68
144.06935	1.90
144.07099	0.46
144.07263	0.05
144.07422	0.00
144.07586	0.00
144.07750	0.00
144.07914	0.00
145.03863	0.00
145.04029	0.00
145.04195	0.00
145.04360	0.00
145.04526	0.18
145.04692	0.47
145.04857	0.74
145.05023	0.80
145.05189	0.61
145.05355	0.29
145.05601	0.00
145.05767	0.00
145.05933	0.00
145.06098	0.00
162.05413	0.00
162.05609	0.00
162.05804	0.00
162.06000	0.00
162.06196	0.18
162.06391	0.41
162.06587	0.62
162.06783	0.90
162.06978	0.98
162.07174	2.16
162.07370	4.74
162.07565	7.75
162.07761	8.05
162.07957	5.10
162.08153	2.53
162.08348	0.70
162.08544	0.19
162.08663	0.00
162.08859	0.00
162.09055	0.00
162.09250	0.00
162.09446	0.00
162.09642	0.00
162.09838	0.43
162.10033	2.62
162.10229	3.50
162.10425	4.52
162.10621	12.35
162.10816	39.07
162.11012	71.65
162.11208	100.00
162.11404	84.76
162.11600	51.01
162.11795	19.84
162.11991	5.49
162.12187	2.14
162.12383	1.78
162.12579	0.67
162.12774	0.45
162.12970	0.00
162.13166	0.00
162.13362	0.00
162.13558	0.00
162.13753	0.00
186.86557	0.00
186.86799	0.00
186.87042	0.00
186.87284	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	401.1565
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
49.50264	0.00
49.50297	0.00
49.50330	0.00
49.50363	0.00
50.66034	0.00
50.66068	0.00
50.66102	0.00
50.66137	0.00
50.66171	0.63
50.66205	1.12
50.66239	1.30
50.66274	1.02
50.66308	0.50
50.66324	0.00
50.66359	0.00
50.66393	0.00
50.66427	0.00
70.68554	0.00
70.68611	0.00
70.68667	0.00
70.68723	0.00
70.68780	0.79
70.68836	1.28
70.68893	1.47
70.68949	1.23
70.69005	0.71
70.69055	0.00
70.69112	0.00
70.69168	0.00
70.69224	0.00
77.97487	0.00
77.97552	0.00
77.97617	0.00
77.97682	0.00
77.97748	0.59
77.97813	1.03
77.97878	1.27
77.97944	1.17
77.98009	0.78
77.98070	0.00
77.98135	0.00
77.98201	0.00
77.98266	0.00
83.05866	0.00
83.05937	0.00
83.06009	0.00
83.06081	0.00
83.06153	0.90
83.06225	1.44
83.06297	1.61
83.06368	1.31
83.06440	0.74
83.06480	0.00
83.06552	0.00
83.06623	0.00
83.06695	0.00
119.82938	0.00
119.83062	0.00
119.83187	0.00
119.83311	0.00
119.83435	0.46
119.83560	1.20
119.83684	1.88
119.83809	2.01
119.83933	1.53
119.84058	0.80
119.84184	0.00
119.84308	0.00
119.84433	0.00
119.84557	0.00
199.19018	0.00
199.19285	0.00
199.19552	0.00
199.19818	0.00
199.20085	0.90
199.20352	1.59
199.20618	1.89
199.20885	1.57
199.21152	0.84
199.21424	0.00
199.21691	0.00
199.21957	0.00
199.22224	0.00
204.05610	0.00
204.05887	0.00
204.06163	0.00
204.06440	0.00
204.06716	0.93
204.06993	3.88
204.07269	7.30
204.07546	10.18
204.07822	8.36
204.08099	4.81
204.08375	1.51
204.08652	0.07
204.08927	0.00
204.09204	0.00
204.09480	0.00
204.09757	0.00
207.40917	0.00
207.41200	0.00
207.41484	0.00
207.41767	0.00
207.42051	0.76
207.42334	1.36
207.42617	1.64
207.42901	1.37
207.43184	0.75
207.43473	0.00
207.43757	0.00
207.44040	0.00
207.44324	0.00
234.06320	0.00
234.06659	0.00
234.06999	0.00
234.07339	0.00
234.07678	0.49
234.08018	1.35
234.08358	2.21
234.08697	2.49
234.09037	2.00
234.09377	1.11
234.09726	0.00
234.10066	0.00
234.10405	0.00
234.10745	0.00
263.92176	0.00
263.92582	0.00
263.92989	0.00
263.93396	0.00
263.93802	0.64
263.94209	1.23
263.94616	1.60
263.95023	1.46
263.95429	0.91
263.95857	0.00
263.96264	0.00
263.96671	0.00
263.97078	0.00
317.92596	0.00
317.93133	0.00
317.93671	0.00
317.94209	0.00
317.94746	1.16
317.95284	1.77
317.95822	1.81
317.96360	1.28
317.96898	0.58
317.97467	0.00
317.98005	0.00
317.98543	0.00
317.99081	0.00
401.07399	0.00
401.08161	0.00
401.08923	0.00
401.09685	0.00
401.10447	0.57
401.11209	1.67
401.11971	1.87
401.12733	5.12
401.13495	18.80
401.14257	49.82
401.15019	83.19
401.15781	100.00
401.16543	72.72
401.17305	40.31
401.18067	12.43
401.18829	3.39
401.19592	1.58
401.20354	1.01
401.21116	0.00
401.21878	0.00
401.22641	0.00
401.23403	0.00
402.11980	0.00
402.12745	0.00
402.13510	0.00
402.14275	0.00
402.15040	0.88
402.15805	1.45
402.16570	1.70
402.17335	1.51
402.18100	0.98
402.18865	0.00
402.19630	0.00
402.20395	0.00
402.21160	0.00
429.29111	0.00
429.29955	0.00
429.30799	0.00
429.31643	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
49.50262	0.00
49.50295	0.00
49.50328	0.00
49.50361	0.00
51.94175	0.00
51.94210	0.00
51.94246	0.00
51.94281	0.00
51.94317	0.11
51.94352	0.24
51.94388	0.34
51.94423	0.33
51.94459	0.23
51.94487	0.00
51.94523	0.00
51.94558	0.00
51.94594	0.00
60.07837	0.00
60.07881	0.00
60.07925	0.00
60.07969	0.00
60.08014	0.15
60.08058	0.39
60.08102	0.65
60.08146	0.76
60.08190	0.65
60.08234	0.39
60.08279	0.16
60.08319	0.00
60.08364	0.00
60.08408	0.00
60.08452	0.00
63.99650	0.00
63.99698	0.00
63.99747	0.00
63.99795	0.00
63.99844	0.14
63.99892	0.26
63.99941	0.33
63.99990	0.29
64.00038	0.17
64.00085	0.00
64.00134	0.00
64.00182	0.00
64.00231	0.00
65.81102	0.00
65.81153	0.00
65.81204	0.00
65.81254	0.00
65.81305	0.17
65.81356	0.29
65.81406	0.33
65.81457	0.26
65.81508	0.12
65.81535	0.00
65.81586	0.00
65.81636	0.00
65.81687	0.00
92.28181	0.00
92.28265	0.00
92.28349	0.00
92.28433	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28854	0.00
92.28938	0.00
92.28999	0.00
92.29083	0.00
92.29167	0.00
92.29251	0.00
200.57864	0.00
200.58134	0.00
200.58403	0.00
200.58672	0.00
200.58942	0.17
200.59211	0.33
200.59481	0.43
200.59750	0.38
200.60020	0.23
200.60303	0.00
200.60573	0.00
200.60842	0.00
200.61112	0.00
256.25200	0.00
256.25589	0.00
256.25978	0.00
256.26367	0.00
256.26756	0.04
256.27145	0.91
256.27534	1.65
256.27923	1.94
256.28313	3.44
256.28702	12.00
256.29091	39.15
256.29480	71.43
256.29869	100.00
256.30259	85.43
256.30648	51.68
256.31037	20.52
256.31426	5.65
256.31815	1.97
256.32205	1.62
256.32594	0.49
256.32983	0.22
256.33372	0.00
256.33762	0.00
256.34151	0.00
256.34540	0.00
282.82299	0.00
282.82751	0.00
282.83202	0.00
282.83653	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	284.3305
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
49.50255	0.00
49.50288	0.00
49.50321	0.00
49.50354	0.00
60.07837	0.00
60.07881	0.00
60.07925	0.00
60.07969	0.00
60.08014	0.11
60.08058	0.28
60.08102	0.69
60.08146	1.15
60.08190	1.16
60.08234	0.69
60.08279	0.29
60.08323	0.10
60.08365	0.00
60.08409	0.00
60.08453	0.00
60.08498	0.00
62.23270	0.00
62.23317	0.00
62.23363	0.00
62.23410	0.00
62.23456	0.13
62.23503	0.24
62.23549	0.28
62.23596	0.23
62.23643	0.12
62.23685	0.00
62.23732	0.00
62.23778	0.00
62.23825	0.00
66.91138	0.00
66.91189	0.00
66.91241	0.00
66.91293	0.00
66.91345	0.12
66.91397	0.22
66.91449	0.27
66.91501	0.23
66.91553	0.12
66.91583	0.00
66.91635	0.00
66.91687	0.00
66.91738	0.00
92.28517	0.00
92.28601	0.00
92.28685	0.00
92.28769	0.00
92.28853	0.00
92.28938	0.00
92.29022	0.00
92.29106	0.00
92.29190	0.00
92.29267	0.00
92.29351	0.00
92.29435	0.00
92.29519	0.00
100.22941	0.00
100.23037	0.00
100.23132	0.00
100.23227	0.00
100.23322	0.15
100.23417	0.26
100.23513	0.30
100.23608	0.24
100.23703	0.12
100.23793	0.00
100.23889	0.00
100.23984	0.00
100.24079	0.00
105.66847	0.00
105.66950	0.00
105.67053	0.00
105.67156	0.00
105.67259	0.14
105.67362	0.26
105.67465	0.31
105.67568	0.25
105.67671	0.13
105.67766	0.00
105.67869	0.00
105.67972	0.00
105.68075	0.00
115.23532	0.00
115.23650	0.00
115.23767	0.00
115.23884	0.00
115.24002	0.16
115.24119	0.30
115.24236	0.35
115.24354	0.27
115.24471	0.14
115.24578	0.00
115.24695	0.00
115.24813	0.00
115.24930	0.00
166.02275	0.00
166.02478	0.00
166.02681	0.00
166.02884	0.00
166.03087	0.17
166.03290	0.29
166.03493	0.33
166.03696	0.25
166.03899	0.12
166.04134	0.00
166.04337	0.00
166.04540	0.00
166.04742	0.00
284.27232	0.00
284.27687	0.00
284.28142	0.00
284.28596	0.00
284.29051	0.02
284.29506	0.68
284.29960	1.03
284.30415	1.80
284.30870	1.97
284.31324	5.40
284.31779	19.67
284.32234	50.60
284.32689	84.06
284.33143	100.00
284.33598	72.31
284.34053	40.07
284.34508	12.46
284.34962	3.50
284.35417	1.70
284.35872	1.27
284.36327	0.31
284.36782	0.05
284.37237	0.00
284.37692	0.00
284.38147	0.00
284.38602	0.00
285.29800	0.00
285.30257	0.00
285.30714	0.00
285.31171	0.00
285.31628	0.12
285.32085	0.31
285.32542	0.82
285.32999	1.37
285.33457	1.55
285.33914	1.04
285.34371	0.51
285.34828	0.18
285.35285	0.00
285.35743	0.00
285.36200	0.00
285.36657	0.00
313.12538	0.00
313.13063	0.00
313.13589	0.00
313.14114	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1175
Annotation	butamben
Peak:m/z	Relative Intensity
49.50261	0.00
49.50294	0.00
49.50327	0.00
49.50360	0.00
58.06257	0.00
58.06299	0.00
58.06341	0.00
58.06383	0.00
58.06425	0.07
58.06467	0.51
58.06509	1.83
58.06551	3.32
58.06593	4.51
58.06635	3.58
58.06677	2.05
58.06719	0.59
58.06761	0.02
58.06786	0.00
58.06828	0.00
58.06870	0.00
58.06912	0.00
70.78145	0.00
70.78202	0.00
70.78258	0.00
70.78315	0.00
70.78371	0.33
70.78428	0.49
70.78484	0.54
70.78541	0.44
70.78597	0.26
70.78653	0.00
70.78710	0.00
70.78766	0.00
70.78823	0.00
71.00680	0.00
71.00736	0.00
71.00793	0.00
71.00850	0.00
71.00907	0.23
71.00963	0.37
71.01020	0.41
71.01077	0.34
71.01134	0.21
71.01190	0.00
71.01246	0.00
71.01303	0.00
71.01360	0.00
71.98849	0.00
71.98907	0.00
71.98965	0.00
71.99023	0.00
71.99081	0.19
71.99139	0.37
71.99197	0.47
71.99255	0.42
71.99313	0.26
71.99370	0.00
71.99428	0.00
71.99486	0.00
71.99544	0.00
73.01318	0.00
73.01377	0.00
73.01436	0.00
73.01495	0.00
73.01554	0.25
73.01613	0.35
73.01673	0.40
73.01732	0.37
73.01791	0.27
73.01849	0.00
73.01908	0.00
73.01968	0.00
73.02027	0.00
74.09315	0.00
74.09376	0.00
74.09436	0.00
74.09497	0.00
74.09557	0.28
74.09618	0.59
74.09678	0.82
74.09739	0.80
74.09799	0.55
74.09860	0.25
74.09919	0.00
74.09979	0.00
74.10040	0.00
74.10100	0.00
75.69516	0.00
75.69578	0.00
75.69641	0.00
75.69703	0.00
75.69766	0.23
75.69828	0.40
75.69891	0.47
75.69953	0.40
75.70016	0.23
75.70071	0.00
75.70133	0.00
75.70196	0.00
75.70258	0.00
84.11181	0.00
84.11254	0.00
84.11327	0.00
84.11400	0.00
84.11473	0.23
84.11546	0.41
84.11620	0.50
84.11693	0.44
84.11766	0.28
84.11834	0.00
84.11907	0.00
84.11980	0.00
84.12053	0.00
90.46670	0.00
90.46752	0.00
90.46833	0.00
90.46915	0.00
90.46996	0.23
90.47078	0.39
90.47160	0.50
90.47241	0.50
90.47323	0.37
90.47405	0.18
90.47481	0.00
90.47562	0.00
90.47644	0.00
90.47725	0.00
96.98934	0.00
96.99024	0.00
96.99115	0.00
96.99206	0.00
96.99296	0.29
96.99387	0.87
96.99477	1.56
96.99568	1.96
96.99659	1.38
96.99749	0.57
96.99840	0.19
96.99923	0.00
97.00014	0.00
97.00105	0.00
97.00195	0.00
105.02643	0.00
105.02745	0.00
105.02847	0.00
105.02949	0.00
105.03051	0.34
105.03153	0.98
105.03256	1.74
105.03358	2.30
105.03460	1.83
105.03562	1.08
105.03664	0.30
105.03744	0.00
105.03846	0.00
105.03949	0.00
105.04051	0.00
129.97009	0.00
129.97149	0.00
129.97290	0.00
129.97430	0.00
129.97571	0.30
129.97711	0.61
129.97852	0.82
129.97992	0.78
129.98133	0.52
129.98274	0.22
129.98411	0.00
129.98552	0.00
129.98692	0.00
129.98833	0.00
135.03092	0.00
135.03241	0.00
135.03390	0.00
135.03539	0.00
135.03687	0.14
135.03836	0.64
135.03985	2.73
135.04134	6.70
135.04283	11.04
135.04432	12.49
135.04580	8.65
135.04729	4.57
135.04878	1.28
135.05027	0.33
135.05171	0.00
135.05319	0.00
135.05468	0.00
135.05617	0.00
148.02824	0.00
148.02994	0.00
148.03165	0.00
148.03336	0.00
148.03507	0.25
148.03678	0.58
148.03849	0.86
148.04019	0.87
148.04190	0.62
148.04361	0.30
148.04549	0.00
148.04720	0.00
148.04891	0.00
148.05062	0.00
148.05916	0.00
148.06087	0.00
148.06258	0.00
148.06429	0.00
148.06600	0.32
148.06770	0.41
148.06941	0.57
148.07112	0.70
148.07283	1.76
148.07454	5.66
148.07625	11.39
148.07796	17.39
148.07967	17.06
148.08138	10.86
148.08309	5.07
148.08480	1.26
148.08651	0.30
148.08817	0.00
148.08988	0.00
148.09159	0.00
148.09330	0.00
176.05760	0.00
176.05982	0.00
176.06203	0.00
176.06425	0.00
176.06646	0.16
176.06868	0.44
176.07089	0.75
176.07311	0.89
176.07533	0.79
176.07754	0.51
176.07976	0.23
176.08198	0.00
176.08419	0.00
176.08641	0.00
176.08862	0.00
176.09527	0.00
176.09749	0.00
176.09971	0.00
176.10192	0.00
176.10414	0.25
176.10636	0.65
176.10857	1.04
176.11079	1.14
176.11301	0.88
176.11522	0.44
176.11744	0.14
176.11975	0.00
176.12196	0.00
176.12418	0.00
176.12640	0.00
194.06476	0.00
194.06733	0.00
194.06989	0.00
194.07246	0.00
194.07502	0.25
194.07759	1.18
194.08015	2.81
194.08272	3.91
194.08528	3.77
194.08784	2.96
194.09041	1.17
194.09297	0.00
194.09555	0.00
194.09812	0.00
194.10068	0.00
194.10325	0.14
194.10581	1.09
194.10838	5.61
194.11094	20.03
194.11351	50.45
194.11607	83.01
194.11864	100.00
194.12120	74.63
194.12377	43.12
194.12634	14.63
194.12890	3.57
194.13147	0.01
194.13401	0.00
194.13658	0.00
194.13914	0.00
194.14171	0.00
195.10490	0.00
195.10749	0.00
195.11007	0.00
195.11266	0.00
195.11524	0.29
195.11783	0.75
195.12041	1.15
195.12300	1.76
195.12559	1.06
195.12817	0.50
195.13076	0.19
195.13334	0.00
195.13593	0.00
195.13851	0.00
195.14110	0.00
217.16682	0.00
217.16986	0.00
217.17289	0.00
217.17593	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
49.50251	0.00
49.50284	0.00
49.50317	0.00
49.50350	0.00
52.56105	0.00
52.56141	0.00
52.56178	0.00
52.56214	0.00
52.56250	0.00
52.56286	0.01
52.56322	0.01
52.56358	0.01
52.56394	0.00
52.56426	0.00
52.56462	0.00
52.56498	0.00
52.56534	0.00
58.05904	0.00
58.05946	0.00
58.05988	0.00
58.06030	0.00
58.06072	0.00
58.06114	0.01
58.06156	0.02
58.06198	0.01
58.06240	0.00
58.06282	0.02
58.06324	0.02
58.06366	0.01
58.06408	0.00
58.06438	0.06
58.06480	0.32
58.06522	0.72
58.06564	1.16
58.06606	1.19
58.06648	0.79
58.06690	0.40
58.06732	0.14
58.06774	0.06
58.06816	0.04
58.06858	0.02
58.06900	0.01
58.06942	0.00
58.06981	0.00
58.07023	0.00
58.07064	0.00
58.07106	0.00
59.07020	0.00
59.07063	0.00
59.07106	0.00
59.07149	0.00
59.07192	0.00
59.07235	0.04
59.07278	0.14
59.07321	0.24
59.07364	0.32
59.07407	0.26
59.07450	0.15
59.07494	0.06
59.07537	0.02
59.07580	0.01
59.07636	0.00
59.07679	0.00
59.07722	0.00
59.07765	0.00
60.07073	0.00
60.07118	0.00
60.07162	0.00
60.07206	0.00
60.07250	0.00
60.07294	0.00
60.07338	0.00
60.07383	0.00
60.07427	0.00
60.07471	0.00
60.07514	0.00
60.07558	0.00
60.07602	0.00
60.07646	0.00
60.07690	0.00
60.07735	0.00
60.07779	0.03
60.07823	0.07
60.07867	0.17
60.07911	0.27
60.07955	0.32
60.08000	0.98
60.08044	3.54
60.08088	7.51
60.08132	11.77
60.08176	12.03
60.08220	7.86
60.08265	3.89
60.08309	1.14
60.08353	0.40
60.08397	0.31
60.08441	0.22
60.08486	0.11
60.08530	0.04
60.08574	0.00
60.08619	0.00
60.08664	0.00
60.08708	0.00
60.08752	0.00
60.08796	0.00
60.08840	0.00
60.08884	0.00
60.08906	0.00
60.08950	0.00
60.08994	0.00
60.09039	0.00
86.09151	0.00
86.09227	0.00
86.09303	0.00
86.09378	0.00
86.09454	0.01
86.09530	0.02
86.09606	0.04
86.09681	0.05
86.09757	0.02
86.09833	0.01
86.09909	0.01
86.09983	0.00
86.10059	0.00
86.10134	0.00
86.10210	0.00
88.07152	0.00
88.07231	0.00
88.07309	0.00
88.07388	0.00
88.07466	0.01
88.07544	0.02
88.07623	0.02
88.07701	0.01
88.07780	0.00
88.07844	0.00
88.07922	0.00
88.08001	0.00
88.08079	0.00
104.05395	0.00
104.05495	0.00
104.05596	0.00
104.05697	0.00
104.05797	0.00
104.05898	0.00
104.05999	0.00
104.06099	0.00
104.06200	0.00
104.06301	0.00
104.06401	0.00
104.06502	0.00
104.06603	0.00
104.06703	0.00
104.06804	0.00
104.06905	0.00
104.07006	0.00
104.07106	0.00
104.07207	0.00
104.07308	0.00
104.07408	0.00
104.07509	0.00
104.07610	0.00
104.07711	0.00
104.07811	0.00
104.08214	0.00
104.08315	0.00
104.08416	0.00
104.08516	0.00
104.08617	0.00
104.08718	0.00
104.08818	0.00
104.08919	0.00
104.09020	0.00
104.09121	0.00
104.09221	0.00
104.09322	0.00
104.09423	0.00
104.09524	0.00
104.09624	0.00
104.09725	0.00
104.09824	0.00
104.09925	0.06
104.10025	0.49
104.10126	1.46
104.10227	1.63
104.10328	4.75
104.10428	17.66
104.10529	48.41
104.10630	81.41
104.10731	100.00
104.10831	74.16
104.10932	42.06
104.11033	13.56
104.11134	4.03
104.11234	1.90
104.11335	1.45
104.11436	0.46
104.11537	0.13
104.11637	0.00
104.11740	0.00
104.11841	0.00
104.11942	0.00
104.12042	0.00
104.12143	0.00
104.12244	0.00
104.12345	0.00
104.12446	0.00
104.12546	0.00
104.12647	0.00
104.12748	0.00
104.12849	0.00
104.12950	0.00
104.13050	0.00
104.13151	0.00
104.13252	0.00
104.13353	0.00
104.13453	0.00
104.13554	0.00
104.13655	0.00
104.13756	0.00
104.13857	0.00
104.13957	0.00
104.14032	0.00
104.14133	0.00
104.14234	0.00
104.14335	0.00
105.10155	0.00
105.10257	0.00
105.10360	0.00
105.10462	0.00
105.10564	0.00
105.10666	0.01
105.10769	0.05
105.10871	0.12
105.10973	0.20
105.11075	0.20
105.11177	0.13
105.11280	0.06
105.11382	0.02
105.11484	0.01
105.11586	0.00
105.11689	0.00
105.11791	0.00
105.11893	0.00
126.25925	0.00
126.26059	0.00
126.26194	0.00
126.26329	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	401.1563
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
49.50259	0.00
49.50292	0.00
49.50325	0.00
49.50358	0.00
56.04763	0.00
56.04803	0.00
56.04842	0.00
56.04882	0.00
56.04922	0.48
56.04962	0.77
56.05002	0.91
56.05041	0.82
56.05081	0.57
56.05121	0.29
56.05157	0.00
56.05197	0.00
56.05237	0.00
56.05276	0.00
60.54083	0.00
60.54128	0.00
60.54173	0.00
60.54217	0.00
60.54262	0.33
60.54307	0.55
60.54352	0.63
60.54396	0.52
60.54441	0.28
60.54480	0.00
60.54525	0.00
60.54569	0.00
60.54614	0.00
66.82632	0.00
66.82684	0.00
66.82736	0.00
66.82787	0.00
66.82839	0.42
66.82891	0.65
66.82943	0.72
66.82995	0.58
66.83046	0.32
66.83079	0.00
66.83131	0.00
66.83182	0.00
66.83234	0.00
89.15966	0.00
89.16046	0.00
89.16126	0.00
89.16206	0.00
89.16286	0.39
89.16365	0.67
89.16445	0.77
89.16525	0.61
89.16605	0.30
89.16682	0.00
89.16762	0.00
89.16842	0.00
89.16922	0.00
92.28434	0.00
92.28518	0.00
92.28602	0.00
92.28686	0.00
92.28770	0.00
92.28854	0.00
92.28938	0.00
92.29022	0.00
92.29106	0.00
92.29177	0.00
92.29261	0.00
92.29346	0.00
92.29430	0.00
107.28058	0.00
107.28163	0.00
107.28269	0.00
107.28374	0.00
107.28480	0.37
107.28585	0.61
107.28690	0.71
107.28796	0.61
107.28901	0.36
107.28999	0.00
107.29104	0.00
107.29210	0.00
107.29315	0.00
116.10024	0.00
116.10142	0.00
116.10261	0.00
116.10379	0.00
116.10498	0.61
116.10617	0.88
116.10735	0.90
116.10854	0.64
116.10973	0.28
116.11071	0.00
116.11190	0.00
116.11309	0.00
116.11428	0.00
147.72635	0.00
147.72805	0.00
147.72975	0.00
147.73146	0.00
147.73316	0.48
147.73486	0.70
147.73657	0.77
147.73827	0.65
147.73997	0.40
147.74251	0.00
147.74422	0.00
147.74592	0.00
147.74762	0.00
204.05391	0.00
204.05667	0.00
204.05944	0.00
204.06220	0.00
204.06497	0.34
204.06773	1.49
204.07050	4.10
204.07326	6.93
204.07603	8.68
204.07879	6.57
204.08156	3.73
204.08432	1.03
204.08709	0.00
204.08926	0.00
204.09202	0.00
204.09479	0.00
204.09755	0.00
205.06622	0.00
205.06901	0.00
205.07179	0.00
205.07458	0.00
205.07736	0.38
205.08015	0.73
205.08294	0.93
205.08572	0.82
205.08851	0.47
205.09129	0.00
205.09408	0.00
205.09686	0.00
205.09965	0.00
206.03619	0.00
206.03899	0.00
206.04180	0.00
206.04461	0.00
206.04741	0.48
206.05022	1.09
206.05302	1.62
206.05583	1.69
206.05863	1.27
206.06144	0.66
206.06424	0.26
206.06710	0.00
206.06991	0.00
206.07272	0.00
206.07552	0.00
234.06317	0.00
234.06656	0.00
234.06996	0.00
234.07336	0.00
234.07675	0.30
234.08015	0.78
234.08355	1.17
234.08695	1.18
234.09034	0.78
234.09374	0.29
234.09715	0.00
234.10055	0.00
234.10395	0.00
234.10734	0.00
256.46223	0.00
256.46613	0.00
256.47002	0.00
256.47392	0.00
256.47781	0.55
256.48171	0.75
256.48561	0.79
256.48950	0.67
256.49340	0.43
256.49742	0.00
256.50131	0.00
256.50521	0.00
256.50911	0.00
286.51776	0.00
286.52236	0.00
286.52696	0.00
286.53156	0.00
286.53616	0.35
286.54076	0.71
286.54536	1.03
286.54996	1.09
286.55456	0.85
286.55916	0.47
286.56385	0.00
286.56845	0.00
286.57305	0.00
286.57765	0.00
299.80177	0.00
299.80670	0.00
299.81162	0.00
299.81654	0.00
299.82147	0.40
299.82639	0.71
299.83132	0.86
299.83624	0.75
299.84117	0.47
299.84607	0.00
299.85099	0.00
299.85592	0.00
299.86084	0.00
308.77754	0.00
308.78268	0.00
308.78783	0.00
308.79298	0.00
308.79812	0.64
308.80327	1.04
308.80842	1.14
308.81357	0.84
308.81871	0.38
308.82386	0.00
308.82900	0.00
308.83415	0.00
308.83930	0.00
311.25758	0.00
311.26279	0.00
311.26800	0.00
311.27321	0.00
311.27841	0.34
311.28362	0.87
311.28883	1.43
311.29404	1.62
311.29925	1.31
311.30446	0.73
311.30967	0.28
311.31488	0.00
311.32009	0.00
311.32530	0.00
311.33051	0.00
312.26530	0.00
312.27053	0.00
312.27576	0.00
312.28100	0.00
312.28623	0.42
312.29147	0.75
312.29670	0.87
312.30194	0.68
312.30717	0.33
312.31248	0.00
312.31772	0.00
312.32296	0.00
312.32819	0.00
336.76345	0.00
336.76931	0.00
336.77517	0.00
336.78104	0.00
336.78690	0.34
336.79276	0.77
336.79862	1.13
336.80449	1.15
336.81035	0.81
336.81621	0.35
336.82241	0.00
336.82828	0.00
336.83414	0.00
336.84000	0.00
401.06630	0.00
401.07392	0.00
401.08154	0.00
401.08916	0.00
401.09678	0.54
401.10440	0.76
401.11202	1.66
401.11964	1.87
401.12726	5.36
401.13488	19.92
401.14250	51.01
401.15012	84.68
401.15774	100.00
401.16536	71.82
401.17298	39.53
401.18060	12.10
401.18823	3.41
401.19585	1.89
401.20347	1.69
401.21109	1.00
401.21872	0.00
401.22634	0.00
401.23396	0.00
401.24159	0.00
401.24921	0.00
429.29104	0.00
429.29948	0.00
429.30792	0.00
429.31636	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
49.50263	0.00
49.50296	0.00
49.50329	0.00
49.50362	0.00
51.01826	0.00
51.01860	0.00
51.01895	0.00
51.01930	0.00
51.01964	0.38
51.01999	0.86
51.02033	1.12
51.02068	0.95
51.02102	0.47
51.02129	0.00
51.02164	0.00
51.02199	0.00
51.02233	0.00
59.73357	0.00
59.73400	0.00
59.73444	0.00
59.73488	0.00
59.73532	0.49
59.73576	1.00
59.73619	1.27
59.73663	1.13
59.73707	0.69
59.73762	0.00
59.73806	0.00
59.73849	0.00
59.73893	0.00
60.05243	0.00
60.05287	0.00
60.05331	0.00
60.05375	0.00
60.05419	0.67
60.05464	1.27
60.05508	3.45
60.05552	10.73
60.05596	20.40
60.05640	29.81
60.05684	26.93
60.05728	16.31
60.05773	6.48
60.05817	0.98
60.05861	0.00
60.05895	0.00
60.05939	0.00
60.05983	0.00
60.06027	0.00
70.06127	0.00
70.06183	0.00
70.06239	0.00
70.06294	0.00
70.06350	0.68
70.06405	2.22
70.06461	7.51
70.06517	14.75
70.06572	22.06
70.06628	20.64
70.06684	12.78
70.06739	5.43
70.06795	1.07
70.06851	0.10
70.06895	0.00
70.06951	0.00
70.07007	0.00
70.07062	0.00
71.13239	0.00
71.13296	0.00
71.13353	0.00
71.13410	0.00
71.13467	0.91
71.13524	1.34
71.13581	1.40
71.13638	1.08
71.13695	0.63
71.13751	0.00
71.13808	0.00
71.13865	0.00
71.13921	0.00
72.07780	0.00
72.07838	0.00
72.07896	0.00
72.07954	0.00
72.08012	0.96
72.08070	1.89
72.08128	2.50
72.08187	2.35
72.08245	1.54
72.08303	0.66
72.08335	0.00
72.08393	0.00
72.08451	0.00
72.08509	0.00
102.09585	0.00
102.09683	0.00
102.09781	0.00
102.09879	0.00
102.09976	0.96
102.10074	1.38
102.10172	1.45
102.10270	1.13
102.10368	0.63
102.10457	0.00
102.10555	0.00
102.10653	0.00
102.10751	0.00
112.07963	0.00
112.08075	0.00
112.08188	0.00
112.08300	0.00
112.08413	0.53
112.08526	1.29
112.08638	1.90
112.08751	1.89
112.08863	1.27
112.08976	0.51
112.09102	0.00
112.09215	0.00
112.09327	0.00
112.09440	0.00
116.06125	0.00
116.06244	0.00
116.06362	0.00
116.06481	0.00
116.06600	0.75
116.06718	3.19
116.06837	10.77
116.06955	20.29
116.07074	29.15
116.07193	25.51
116.07311	15.49
116.07430	6.13
116.07548	1.38
116.07667	0.59
116.07799	0.00
116.07917	0.00
116.08036	0.00
116.08155	0.00
130.08584	0.00
130.08725	0.00
130.08865	0.00
130.09006	0.00
130.09147	0.50
130.09288	1.16
130.09428	3.38
130.09569	6.93
130.09710	10.72
130.09851	10.92
130.09991	6.97
130.10132	3.16
130.10273	0.51
130.10367	0.00
130.10507	0.00
130.10648	0.00
130.10789	0.00
135.50395	0.00
135.50545	0.00
135.50694	0.00
135.50844	0.00
135.50994	0.63
135.51143	1.18
135.51293	1.44
135.51443	1.24
135.51592	0.72
135.51747	0.00
135.51897	0.00
135.52046	0.00
135.52196	0.00
157.09619	0.00
157.09806	0.00
157.09993	0.00
157.10180	0.00
157.10367	0.48
157.10553	1.23
157.10740	1.81
157.10927	1.76
157.11114	1.12
157.11300	0.40
157.11427	0.00
157.11613	0.00
157.11800	0.00
157.11987	0.00
158.07695	0.00
158.07884	0.00
158.08073	0.00
158.08261	0.00
158.08450	0.19
158.08638	1.42
158.08827	5.47
158.09015	9.67
158.09204	12.39
158.09392	9.33
158.09581	5.28
158.09769	1.67
158.09958	0.69
158.10203	0.00
158.10392	0.00
158.10580	0.00
158.10769	0.00
162.85467	0.00
162.85664	0.00
162.85861	0.00
162.86058	0.00
162.86255	0.66
162.86452	1.15
162.86649	1.35
162.86847	1.10
162.87044	0.57
162.87250	0.00
162.87447	0.00
162.87644	0.00
162.87842	0.00
175.03835	0.00
175.04055	0.00
175.04275	0.00
175.04494	0.00
175.04714	0.58
175.04934	1.19
175.05154	1.53
175.05373	1.40
175.05593	0.95
175.05813	0.00
175.06032	0.00
175.06252	0.00
175.06472	0.00
175.08229	0.00
175.08449	0.00
175.08669	0.00
175.08889	0.00
175.09108	0.47
175.09328	1.53
175.09548	4.82
175.09768	5.40
175.09988	4.68
175.10207	2.42
175.10427	0.02
175.10644	0.31
175.10863	1.25
175.11083	6.11
175.11303	24.64
175.11523	56.64
175.11743	91.60
175.11962	100.00
175.12182	67.96
175.12402	35.46
175.12622	10.42
175.12842	2.94
175.13061	1.75
175.13281	0.90
175.13501	0.00
175.13721	0.00
175.13941	0.00
175.14161	0.00
196.96626	0.00
196.96889	0.00
196.97151	0.00
196.97413	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1175
Annotation	butamben
Peak:m/z	Relative Intensity
49.50268	0.00
49.50301	0.00
49.50334	0.00
49.50367	0.00
58.06264	0.00
58.06306	0.00
58.06348	0.00
58.06390	0.00
58.06432	0.15
58.06474	0.82
58.06516	2.53
58.06558	4.36
58.06599	5.62
58.06641	4.28
58.06683	2.42
58.06725	0.59
58.06767	0.00
58.06793	0.00
58.06835	0.00
58.06877	0.00
58.06918	0.00
65.20004	0.00
65.20054	0.00
65.20104	0.00
65.20154	0.00
65.20204	0.44
65.20254	0.69
65.20304	0.80
65.20353	0.69
65.20403	0.42
65.20446	0.00
65.20496	0.00
65.20545	0.00
65.20595	0.00
74.09317	0.00
74.09377	0.00
74.09438	0.00
74.09498	0.00
74.09559	0.29
74.09619	0.63
74.09680	0.88
74.09740	0.87
74.09801	0.61
74.09861	0.28
74.09914	0.00
74.09974	0.00
74.10035	0.00
74.10095	0.00
83.49403	0.00
83.49476	0.00
83.49548	0.00
83.49620	0.00
83.49693	0.34
83.49765	0.64
83.49837	0.81
83.49910	0.72
83.49982	0.43
83.50043	0.00
83.50115	0.00
83.50188	0.00
83.50260	0.00
96.98936	0.00
96.99026	0.00
96.99117	0.00
96.99208	0.00
96.99298	0.24
96.99389	0.56
96.99479	0.84
96.99570	0.89
96.99661	0.70
96.99751	0.39
96.99846	0.00
96.99937	0.00
97.00027	0.00
97.00118	0.00
105.02554	0.00
105.02656	0.00
105.02759	0.00
105.02861	0.00
105.02963	0.31
105.03065	1.53
105.03167	4.97
105.03269	8.95
105.03371	12.34
105.03473	10.29
105.03575	6.12
105.03677	2.22
105.03780	0.40
105.03864	0.00
105.03967	0.00
105.04069	0.00
105.04171	0.00
111.97842	0.00
111.97955	0.00
111.98067	0.00
111.98179	0.00
111.98292	0.38
111.98404	0.68
111.98517	0.85
111.98629	0.77
111.98741	0.50
111.98834	0.00
111.98946	0.00
111.99058	0.00
111.99171	0.00
135.01903	0.00
135.02052	0.00
135.02200	0.00
135.02349	0.00
135.02498	0.43
135.02647	0.80
135.02796	0.93
135.02944	0.70
135.03093	0.30
135.03242	0.00
135.03391	0.00
135.03540	0.00
135.03689	0.00
135.03837	0.45
135.03986	2.03
135.04135	5.12
135.04284	8.56
135.04433	9.54
135.04582	6.43
135.04731	3.26
135.04879	0.84
135.05028	0.24
135.05173	0.00
135.05322	0.00
135.05471	0.00
135.05620	0.00
148.02656	0.00
148.02827	0.00
148.02998	0.00
148.03168	0.00
148.03339	0.21
148.03510	0.67
148.03681	1.30
148.03852	2.67
148.04023	2.39
148.04194	1.11
148.04364	0.49
148.04536	0.00
148.04707	0.00
148.04878	0.00
148.05049	0.00
148.06416	0.00
148.06587	0.00
148.06758	0.00
148.06929	0.00
148.07100	0.34
148.07270	1.38
148.07441	5.12
148.07612	10.27
148.07783	15.63
148.07954	14.99
148.08125	9.43
148.08296	4.30
148.08467	1.15
148.08638	0.28
148.08825	0.00
148.08996	0.00
148.09167	0.00
148.09338	0.00
148.09680	0.00
148.09851	0.00
148.10022	0.00
148.10193	0.00
148.10364	0.19
148.10535	0.77
148.10706	2.59
148.10877	6.46
148.11048	10.74
148.11219	12.81
148.11390	9.30
148.11561	5.12
148.11732	1.50
148.11903	0.26
148.12069	0.00
148.12240	0.00
148.12411	0.00
148.12582	0.00
176.05985	0.00
176.06207	0.00
176.06428	0.00
176.06650	0.00
176.06872	0.37
176.07093	0.67
176.07315	0.80
176.07537	0.66
176.07758	0.36
176.07980	0.00
176.08201	0.00
176.08423	0.00
176.08645	0.00
176.09310	0.00
176.09531	0.00
176.09753	0.00
176.09975	0.00
176.10196	0.30
176.10418	0.75
176.10640	1.58
176.10861	2.56
176.11083	2.48
176.11305	1.20
176.11526	0.55
176.11748	0.18
176.11978	0.00
176.12200	0.00
176.12422	0.00
176.12643	0.00
194.06737	0.00
194.06993	0.00
194.07250	0.00
194.07506	0.00
194.07763	0.00
194.08019	0.00
194.08276	0.00
194.08532	0.00
194.08789	0.00
194.09045	0.00
194.09302	0.00
194.09558	0.00
194.09815	0.00
194.10071	0.00
194.10328	0.46
194.10584	1.24
194.10841	5.99
194.11097	21.17
194.11354	51.67
194.11610	84.34
194.11867	100.00
194.12124	73.85
194.12380	42.29
194.12637	14.21
194.12893	3.21
194.13150	0.00
194.13408	0.00
194.13665	0.00
194.13922	0.00
194.14178	0.00
205.53779	0.00
205.54058	0.00
205.54338	0.00
205.54617	0.00
205.54897	0.26
205.55176	0.57
205.55456	0.75
205.55735	0.67
205.56015	0.40
205.56294	0.00
205.56574	0.00
205.56854	0.00
205.57133	0.00
217.16689	0.00
217.16993	0.00
217.17297	0.00
217.17600	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	194.1174
Annotation	butamben
Peak:m/z	Relative Intensity
49.50258	0.00
49.50291	0.00
49.50324	0.00
49.50357	0.00
56.53313	0.00
56.53354	0.00
56.53394	0.00
56.53434	0.00
56.53475	0.33
56.53515	0.63
56.53555	0.74
56.53596	0.59
56.53636	0.30
56.53675	0.00
56.53715	0.00
56.53756	0.00
56.53796	0.00
58.06252	0.00
58.06294	0.00
58.06336	0.00
58.06378	0.00
58.06420	0.18
58.06462	0.57
58.06504	1.32
58.06546	2.95
58.06588	3.61
58.06630	2.62
58.06672	1.39
58.06714	0.55
58.06756	0.22
58.06795	0.00
58.06837	0.00
58.06879	0.00
58.06921	0.00
60.89896	0.00
60.89942	0.00
60.89987	0.00
60.90032	0.00
60.90077	0.25
60.90122	0.58
60.90167	0.77
60.90212	0.67
60.90257	0.36
60.90300	0.00
60.90345	0.00
60.90390	0.00
60.90435	0.00
63.22893	0.00
63.22940	0.00
63.22988	0.00
63.23036	0.00
63.23084	0.43
63.23131	0.68
63.23179	0.78
63.23227	0.65
63.23274	0.35
63.23313	0.00
63.23360	0.00
63.23408	0.00
63.23456	0.00
74.09316	0.00
74.09376	0.00
74.09437	0.00
74.09497	0.00
74.09558	0.40
74.09618	0.82
74.09679	1.08
74.09739	0.96
74.09800	0.57
74.09855	0.00
74.09916	0.00
74.09976	0.00
74.10037	0.00
79.49964	0.00
79.50032	0.00
79.50099	0.00
79.50166	0.00
79.50233	0.35
79.50301	0.72
79.50368	0.99
79.50435	0.98
79.50502	0.68
79.50570	0.30
79.50631	0.00
79.50698	0.00
79.50765	0.00
79.50833	0.00
86.15386	0.00
86.15461	0.00
86.15537	0.00
86.15613	0.00
86.15689	0.59
86.15765	0.85
86.15841	0.88
86.15917	0.70
86.15992	0.44
86.16063	0.00
86.16139	0.00
86.16214	0.00
86.16290	0.00
105.02552	0.00
105.02655	0.00
105.02757	0.00
105.02859	0.00
105.02961	0.35
105.03063	0.61
105.03165	2.23
105.03267	4.17
105.03369	5.86
105.03471	4.90
105.03573	2.84
105.03676	0.94
105.03778	0.04
105.03866	0.00
105.03968	0.00
105.04070	0.00
105.04172	0.00
108.64572	0.00
108.64679	0.00
108.64786	0.00
108.64894	0.00
108.65001	0.37
108.65109	0.69
108.65216	0.82
108.65324	0.69
108.65431	0.40
108.65538	0.00
108.65646	0.00
108.65753	0.00
108.65860	0.00
108.97084	0.00
108.97192	0.00
108.97300	0.00
108.97408	0.00
108.97516	0.37
108.97624	0.81
108.97731	1.10
108.97839	1.05
108.97947	0.73
108.98055	0.36
108.98160	0.00
108.98268	0.00
108.98376	0.00
108.98484	0.00
111.97728	0.00
111.97840	0.00
111.97953	0.00
111.98065	0.00
111.98178	0.34
111.98290	0.85
111.98402	1.27
111.98515	1.29
111.98627	0.91
111.98740	0.41
111.98849	0.00
111.98962	0.00
111.99074	0.00
111.99186	0.00
115.28344	0.00
115.28462	0.00
115.28579	0.00
115.28697	0.00
115.28814	0.39
115.28931	0.68
115.29049	0.78
115.29166	0.63
115.29284	0.35
115.29408	0.00
115.29525	0.00
115.29643	0.00
115.29760	0.00
135.03115	0.00
135.03264	0.00
135.03413	0.00
135.03561	0.00
135.03710	0.17
135.03859	0.74
135.04008	2.61
135.04157	6.21
135.04306	10.18
135.04455	11.42
135.04603	7.79
135.04752	3.97
135.04901	0.97
135.05050	0.17
135.05171	0.00
135.05320	0.00
135.05469	0.00
135.05618	0.00
148.02824	0.00
148.02995	0.00
148.03166	0.00
148.03337	0.00
148.03508	0.24
148.03679	0.70
148.03849	1.10
148.04020	1.15
148.04191	0.83
148.04362	0.37
148.04563	0.00
148.04734	0.00
148.04905	0.00
148.05076	0.00
148.06443	0.00
148.06614	0.00
148.06785	0.00
148.06956	0.00
148.07127	0.08
148.07298	1.20
148.07469	4.21
148.07639	8.15
148.07810	12.14
148.07981	11.45
148.08152	7.11
148.08323	3.10
148.08494	0.60
148.08620	0.00
148.08791	0.00
148.08961	0.00
148.09132	0.00
148.09816	0.00
148.09987	0.00
148.10158	0.00
148.10329	0.00
148.10500	0.13
148.10671	1.06
148.10842	3.34
148.11013	5.78
148.11184	7.15
148.11355	5.25
148.11526	2.89
148.11697	0.85
148.11868	0.41
148.12057	0.00
148.12228	0.00
148.12399	0.00
148.12570	0.00
153.27506	0.00
153.27686	0.00
153.27866	0.00
153.28046	0.00
153.28226	0.54
153.28406	0.86
153.28586	0.94
153.28766	0.72
153.28946	0.36
153.29136	0.00
153.29316	0.00
153.29496	0.00
153.29676	0.00
176.05983	0.00
176.06204	0.00
176.06426	0.00
176.06647	0.00
176.06869	0.46
176.07091	0.76
176.07312	0.85
176.07534	0.69
176.07755	0.37
176.07977	0.00
176.08199	0.00
176.08420	0.00
176.08642	0.00
176.09528	0.00
176.09750	0.00
176.09972	0.00
176.10193	0.00
176.10415	0.35
176.10637	0.75
176.10858	1.03
176.11080	0.99
176.11302	0.65
176.11523	0.27
176.11754	0.00
176.11976	0.00
176.12197	0.00
176.12419	0.00
194.06734	0.00
194.06990	0.00
194.07247	0.00
194.07503	0.00
194.07760	0.00
194.08016	0.00
194.08273	0.00
194.08529	0.00
194.08786	0.00
194.09038	0.00
194.09294	0.00
194.09551	0.00
194.09807	0.00
194.10064	0.00
194.10320	0.85
194.10577	2.01
194.10833	7.76
194.11090	26.49
194.11347	57.84
194.11603	91.68
194.11860	100.00
194.12116	69.08
194.12373	37.11
194.12629	11.71
194.12886	2.75
194.13142	0.02
194.13403	0.00
194.13660	0.00
194.13916	0.00
194.14173	0.00
194.14942	0.00
194.15199	0.00
194.15456	0.00
194.15712	0.00
194.15969	0.00
194.16226	0.00
194.16482	0.00
194.16739	0.00
194.16995	0.00
194.17252	0.00
194.17509	0.00
194.17765	0.00
194.18022	0.00
194.18279	0.00
217.16684	0.00
217.16987	0.00
217.17291	0.00
217.17594	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	229.1544
Annotation	Pro Leu
Peak:m/z	Relative Intensity
49.50262	0.00
49.50295	0.00
49.50328	0.00
49.50361	0.00
51.10131	0.00
51.10166	0.00
51.10200	0.00
51.10235	0.00
51.10270	0.04
51.10304	0.08
51.10339	0.10
51.10374	0.09
51.10408	0.05
51.10440	0.00
51.10475	0.00
51.10509	0.00
51.10544	0.00
54.22508	0.00
54.22546	0.00
54.22584	0.00
54.22622	0.00
54.22660	0.04
54.22698	0.08
54.22736	0.10
54.22773	0.09
54.22811	0.06
54.22846	0.00
54.22884	0.00
54.22922	0.00
54.22960	0.00
58.06293	0.00
58.06335	0.00
58.06377	0.00
58.06419	0.00
58.06461	0.05
58.06503	0.13
58.06545	0.29
58.06587	0.47
58.06629	0.46
58.06671	0.28
58.06713	0.10
58.06755	0.03
58.06796	0.00
58.06838	0.00
58.06880	0.00
58.06922	0.00
59.39259	0.00
59.39302	0.00
59.39345	0.00
59.39389	0.00
59.39432	0.04
59.39476	0.09
59.39519	0.11
59.39563	0.10
59.39606	0.06
59.39649	0.00
59.39692	0.00
59.39736	0.00
59.39779	0.00
60.07836	0.00
60.07880	0.00
60.07924	0.00
60.07969	0.00
60.08013	0.07
60.08057	0.26
60.08101	0.52
60.08145	0.77
60.08189	0.72
60.08234	0.43
60.08278	0.18
60.08322	0.02
60.08366	0.00
60.08410	0.00
60.08454	0.00
60.08499	0.00
60.10266	0.00
60.10310	0.00
60.10354	0.00
60.10399	0.00
60.10443	0.04
60.10487	0.08
60.10531	0.11
60.10575	0.11
60.10620	0.08
60.10664	0.04
60.10708	0.00
60.10752	0.00
60.10796	0.00
60.10840	0.00
60.44353	0.00
60.44398	0.00
60.44443	0.00
60.44487	0.00
60.44532	0.06
60.44576	0.09
60.44621	0.10
60.44666	0.09
60.44710	0.05
60.44755	0.00
60.44799	0.00
60.44844	0.00
60.44888	0.05
60.44933	0.08
60.44978	0.09
60.45022	0.08
60.45067	0.05
60.45093	0.00
60.45138	0.00
60.45182	0.00
60.45227	0.00
70.06162	0.00
70.06218	0.00
70.06274	0.00
70.06329	0.00
70.06385	0.07
70.06440	0.41
70.06496	0.92
70.06552	1.47
70.06607	1.50
70.06663	0.98
70.06719	0.48
70.06774	0.14
70.06830	0.04
70.06894	0.00
70.06949	0.00
70.07005	0.00
70.07061	0.00
72.07837	0.00
72.07895	0.00
72.07953	0.00
72.08011	0.00
72.08069	0.05
72.08128	0.10
72.08186	0.11
72.08244	0.08
72.08302	0.02
72.08354	0.00
72.08412	0.00
72.08470	0.00
72.08528	0.00
79.08374	0.00
79.08441	0.00
79.08507	0.00
79.08574	0.00
79.08641	0.04
79.08708	0.08
79.08774	0.10
79.08841	0.08
79.08908	0.04
79.08974	0.00
79.09040	0.00
79.09107	0.00
79.09174	0.00
80.04841	0.00
80.04909	0.00
80.04977	0.00
80.05045	0.00
80.05113	0.04
80.05180	0.08
80.05248	0.10
80.05316	0.08
80.05384	0.04
80.05452	0.00
80.05520	0.00
80.05588	0.00
80.05656	0.00
80.14020	0.00
80.14088	0.00
80.14156	0.00
80.14224	0.00
80.14292	0.06
80.14360	0.09
80.14428	0.10
80.14496	0.08
80.14564	0.05
80.14631	0.00
80.14699	0.00
80.14767	0.00
80.14835	0.00
81.22282	0.00
81.22352	0.00
81.22421	0.00
81.22491	0.00
81.22560	0.05
81.22630	0.09
81.22699	0.11
81.22768	0.09
81.22838	0.05
81.22898	0.00
81.22967	0.00
81.23037	0.00
81.23106	0.00
92.08199	0.00
92.08283	0.00
92.08367	0.00
92.08451	0.00
92.08535	0.04
92.08619	0.08
92.08702	0.12
92.08786	0.12
92.08870	0.08
92.08954	0.00
92.09037	0.00
92.09121	0.00
92.09205	0.00
92.28263	0.00
92.28348	0.00
92.28432	0.00
92.28516	0.00
92.28600	0.00
92.28684	0.00
92.28768	0.00
92.28852	0.00
92.28936	0.00
92.29013	0.00
92.29097	0.00
92.29181	0.00
92.29265	0.00
101.20057	0.00
101.20153	0.00
101.20250	0.00
101.20346	0.00
101.20443	0.05
101.20540	0.09
101.20636	0.11
101.20733	0.09
101.20829	0.06
101.20915	0.00
101.21011	0.00
101.21108	0.00
101.21204	0.00
114.04775	0.00
114.04890	0.00
114.05006	0.00
114.05121	0.00
114.05237	0.04
114.05352	0.11
114.05468	0.16
114.05583	0.16
114.05699	0.10
114.05814	0.04
114.05921	0.00
114.06037	0.00
114.06152	0.00
114.06268	0.00
124.06681	0.00
124.06812	0.00
124.06943	0.00
124.07074	0.00
124.07205	0.08
124.07336	0.26
124.07467	0.45
124.07598	0.56
124.07729	0.41
124.07860	0.23
124.07992	0.08
124.08122	0.00
124.08253	0.00
124.08384	0.00
124.08515	0.00
125.32549	0.00
125.32682	0.00
125.32815	0.00
125.32948	0.00
125.33081	0.05
125.33214	0.09
125.33347	0.11
125.33480	0.10
125.33613	0.06
125.33742	0.00
125.33875	0.00
125.34008	0.00
125.34141	0.00
130.49024	0.00
130.49166	0.00
130.49307	0.00
130.49448	0.00
130.49590	0.05
130.49731	0.09
130.49873	0.11
130.50014	0.10
130.50155	0.05
130.50294	0.00
130.50435	0.00
130.50577	0.00
130.50718	0.00
142.07280	0.00
142.07440	0.00
142.07601	0.00
142.07762	0.00
142.07922	0.07
142.08083	0.44
142.08244	1.63
142.08404	3.15
142.08565	4.61
142.08726	4.17
142.08886	2.58
142.09047	1.11
142.09207	0.30
142.09368	0.12
142.09529	0.12
142.09689	0.11
142.09850	0.08
142.10014	0.00
142.10175	0.00
142.10335	0.00
142.10496	0.00
170.06604	0.00
170.06814	0.00
170.07024	0.00
170.07235	0.00
170.07445	0.06
170.07656	0.26
170.07866	0.49
170.08076	0.69
170.08287	0.56
170.08497	0.33
170.08708	0.11
170.08918	0.04
170.09143	0.00
170.09353	0.00
170.09564	0.00
170.09774	0.00
192.58089	0.00
192.58342	0.00
192.58596	0.00
192.58849	0.00
192.59103	0.07
192.59357	0.10
192.59610	0.12
192.59864	0.09
192.60117	0.05
192.60375	0.00
192.60628	0.00
192.60882	0.00
192.61135	0.00
229.10931	0.00
229.11260	0.00
229.11589	0.00
229.11918	0.00
229.12247	0.00
229.12576	0.10
229.12905	0.40
229.13234	1.07
229.13563	2.11
229.13892	2.44
229.14221	6.62
229.14550	23.66
229.14879	55.36
229.15208	89.76
229.15537	100.00
229.15866	68.96
229.16195	36.46
229.16524	10.94
229.16853	3.32
229.17182	2.10
229.17511	1.50
229.17840	0.45
229.18169	0.13
229.18498	0.00
229.18832	0.00
229.19161	0.00
229.19491	0.00
229.19820	0.00
229.20149	0.00
229.20478	0.00
229.20807	0.00
229.21133	0.00
229.21462	0.00
229.21791	0.00
229.22120	0.00
230.13245	0.00
230.13576	0.00
230.13907	0.00
230.14238	0.00
230.14569	0.07
230.14900	0.27
230.15232	0.65
230.15563	1.07
230.15894	1.17
230.16225	0.78
230.16556	0.39
230.16888	0.09
230.17219	0.00
230.17550	0.00
230.17881	0.00
230.18213	0.00
252.52282	0.00
252.52663	0.00
252.53043	0.00
252.53424	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	148.0604
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
49.50251	0.00
49.50284	0.00
49.50317	0.00
49.50350	0.00
64.92475	0.00
64.92525	0.00
64.92574	0.00
64.92624	0.00
64.92674	0.51
64.92723	1.15
64.92773	1.72
64.92823	1.82
64.92872	1.37
64.92922	0.68
64.92967	0.00
64.93016	0.00
64.93066	0.00
64.93115	0.00
70.53920	0.00
70.53976	0.00
70.54032	0.00
70.54088	0.00
70.54144	0.70
70.54201	1.24
70.54257	1.47
70.54313	1.25
70.54369	0.73
70.54425	0.00
70.54482	0.00
70.54538	0.00
70.54594	0.00
70.58980	0.00
70.59036	0.00
70.59092	0.00
70.59149	0.00
70.59205	0.54
70.59261	1.09
70.59317	1.50
70.59374	1.51
70.59430	1.09
70.59486	0.51
70.59541	0.00
70.59597	0.00
70.59654	0.00
70.59710	0.00
71.97923	0.00
71.97981	0.00
71.98039	0.00
71.98097	0.00
71.98155	0.60
71.98213	1.16
71.98271	1.45
71.98328	1.26
71.98386	0.74
71.98437	0.00
71.98495	0.00
71.98553	0.00
71.98611	0.00
84.03580	0.00
84.03653	0.00
84.03726	0.00
84.03799	0.00
84.03872	0.00
84.03945	1.79
84.04018	2.07
84.04091	2.68
84.04165	3.16
84.04238	8.44
84.04311	28.71
84.04384	61.19
84.04457	96.13
84.04530	100.00
84.04603	65.75
84.04676	32.65
84.04749	8.54
84.04822	1.66
84.04895	1.01
84.04961	0.00
84.05034	0.00
84.05107	0.00
84.05180	0.00
88.48948	0.00
88.49027	0.00
88.49106	0.00
88.49185	0.00
88.49264	0.65
88.49343	1.23
88.49422	1.48
88.49501	1.17
88.49580	0.50
88.49637	0.00
88.49716	0.00
88.49795	0.00
88.49874	0.00
102.04684	0.00
102.04782	0.00
102.04880	0.00
102.04978	0.00
102.05075	0.37
102.05173	2.77
102.05271	11.96
102.05369	26.07
102.05467	41.30
102.05564	42.76
102.05662	28.15
102.05760	14.10
102.05858	4.16
102.05956	1.21
102.06053	0.65
102.06157	0.00
102.06254	0.00
102.06352	0.00
102.06450	0.00
107.05432	0.00
107.05538	0.00
107.05643	0.00
107.05748	0.00
107.05853	0.98
107.05958	1.74
107.06063	2.00
107.06168	1.51
107.06273	0.64
107.06363	0.00
107.06468	0.00
107.06574	0.00
107.06679	0.00
123.95417	0.00
123.95548	0.00
123.95679	0.00
123.95810	0.00
123.95941	0.30
123.96072	1.16
123.96203	2.72
123.96333	6.34
123.96464	7.28
123.96595	5.12
123.96726	2.65
123.96857	0.99
123.96987	0.00
123.97118	0.00
123.97249	0.00
123.97380	0.00
124.95901	0.00
124.96033	0.00
124.96166	0.00
124.96298	0.00
124.96431	0.49
124.96563	1.89
124.96696	3.54
124.96829	5.85
124.96961	3.72
124.97094	1.76
124.97226	0.67
124.97344	0.00
124.97476	0.00
124.97609	0.00
124.97741	0.00
130.03748	0.00
130.03888	0.00
130.04029	0.00
130.04170	0.00
130.04310	0.72
130.04451	2.05
130.04592	8.40
130.04732	20.98
130.04873	34.55
130.05014	39.55
130.05154	27.70
130.05295	14.88
130.05436	4.41
130.05576	1.03
130.05719	0.00
130.05860	0.00
130.06001	0.00
130.06141	0.00
148.02653	0.00
148.02824	0.00
148.02995	0.00
148.03166	0.00
148.03337	0.49
148.03508	1.42
148.03679	3.89
148.03849	6.17
148.04020	6.67
148.04191	4.45
148.04362	1.86
148.04533	0.86
148.04763	0.00
148.04934	0.00
148.05105	0.00
148.05276	0.00
148.05447	1.07
148.05618	3.05
148.05789	7.14
148.05960	11.82
148.06130	12.71
148.06301	8.25
148.06472	3.74
148.06643	0.00
148.06754	0.00
148.06925	0.00
148.07096	0.00
148.07267	0.42
148.07438	3.43
148.07609	6.42
148.07780	7.94
148.07951	5.78
148.08121	3.29
148.08394	4.31
148.08565	8.69
148.08736	13.48
148.08907	12.52
148.09078	7.29
148.09249	2.39
148.09420	0.00
148.09591	0.00
148.09762	0.00
148.09933	0.00
148.10104	0.00
171.71555	0.00
171.71768	0.00
171.71981	0.00
171.72195	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	229.1543
Annotation	Pro Leu
Peak:m/z	Relative Intensity
49.50217	0.00
49.50250	0.00
49.50283	0.00
49.50316	0.00
104.39125	0.00
104.39226	0.00
104.39328	0.00
104.39429	0.00
104.39530	0.81
104.39631	1.36
104.39732	1.56
104.39833	1.28
104.39935	0.73
104.40032	0.00
104.40133	0.00
104.40235	0.00
104.40336	0.00
108.62854	0.00
108.62961	0.00
108.63068	0.00
108.63176	0.00
108.63283	0.64
108.63391	1.34
108.63498	1.61
108.63605	1.28
108.63713	0.64
108.63817	0.00
108.63925	0.00
108.64032	0.00
108.64139	0.00
112.15170	0.00
112.15283	0.00
112.15395	0.00
112.15508	0.00
112.15621	0.86
112.15733	1.34
112.15846	1.47
112.15959	1.19
112.16071	0.70
112.16173	0.00
112.16286	0.00
112.16399	0.00
112.16511	0.00
124.50448	0.00
124.50579	0.00
124.50711	0.00
124.50843	0.00
124.50975	0.71
124.51107	1.24
124.51238	1.57
124.51370	1.45
124.51502	0.94
124.51626	0.00
124.51757	0.00
124.51889	0.00
124.52021	0.00
142.07604	0.00
142.07764	0.00
142.07925	0.00
142.08085	0.00
142.08246	0.44
142.08407	1.18
142.08567	1.82
142.08728	1.84
142.08889	1.25
142.09049	0.49
142.09213	0.00
142.09373	0.00
142.09534	0.00
142.09695	0.00
170.91490	0.00
170.91702	0.00
170.91914	0.00
170.92126	0.00
170.92338	0.95
170.92550	1.56
170.92762	1.73
170.92974	1.34
170.93186	0.67
170.93418	0.00
170.93630	0.00
170.93842	0.00
170.94054	0.00
215.81935	0.00
215.82235	0.00
215.82536	0.00
215.82837	0.00
215.83138	0.56
215.83438	1.29
215.83739	1.87
215.84040	1.96
215.84341	1.54
215.84641	0.87
215.84950	0.00
215.85251	0.00
215.85552	0.00
215.85853	0.00
229.12589	0.00
229.12918	0.00
229.13247	0.00
229.13576	0.00
229.13905	1.06
229.14234	4.93
229.14563	16.47
229.14892	46.26
229.15221	78.72
229.15550	100.00
229.15880	76.15
229.16209	44.19
229.16538	14.92
229.16867	4.66
229.17196	1.78
229.17525	0.36
229.17854	0.00
229.18183	0.00
229.18512	0.00
229.18841	0.00
252.52295	0.00
252.52675	0.00
252.53056	0.00
252.53437	0.00
END